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Leo Radom - Publications

Affiliations: 
Chemistry University of Sydney, Camperdown, New South Wales, Australia 
Area:
computational quantum chemistry
Website:
http://sydney.edu.au/science/chemistry/research/radom.html

409 high-probability publications. We are testing a new system for linking publications to authors. You can help! If you notice any inaccuracies, please sign in and mark papers as correct or incorrect matches. If you identify any major omissions or other inaccuracies in the publication list, please let us know.

Year Citation  Score
2019 Carroll L, Karton A, Radom L, Davies MJ, Pattison DI. Carnosine and carcinine derivatives rapidly react with hypochlorous acid to form chloramines and dichloramines. Chemical Research in Toxicology. PMID 30693765 DOI: 10.1021/Acs.Chemrestox.8B00363  0.564
2018 Chan B, Radom L. An ONIOM investigation of the effect of conformation on bond dissociation energies in peptides. Journal of Computational Chemistry. PMID 30451304 DOI: 10.1002/Jcc.25538  0.312
2018 Chan B, Rintelman J, Wood GPF, Radom L, Gordon MS. Solvation of the Glycyl Radical. The Journal of Physical Chemistry. A. PMID 30160481 DOI: 10.1021/Acs.Jpca.8B06833  0.524
2018 Kovačević B, Barić D, Babic D, Bilić L, Hanževački M, Sandala GM, Radom L, Smith DM. A Computational Tale of Two Enzymes: Glycerol Dehydration With or Without B. Journal of the American Chemical Society. PMID 29894625 DOI: 10.1021/Jacs.8B03109  0.463
2018 Chan B, Easton CJ, Radom L. Effect of Hydrogen Bonding and Partial Deprotonation on the Oxidation of Peptides. The Journal of Physical Chemistry. A. PMID 29392952 DOI: 10.1021/Acs.Jpca.7B11797  0.344
2018 Chan B, Radom L. Modelling the Effect of Conformation on Hydrogen-Atom Abstraction from Peptides Australian Journal of Chemistry. 71: 257-264. DOI: 10.1071/Ch17621  0.351
2017 Feketeova L, Chan B, Khairallah GN, Steinmetz V, Maître P, Radom L, O'Hair RAJ. Watson-Crick Base-Pair Radical Cation as a Model for Oxidative Damage in DNA. The Journal of Physical Chemistry Letters. PMID 28628332 DOI: 10.1021/Acs.Jpclett.7B01251  0.323
2017 O'Connor GD, Chan B, Sanelli JA, Cergol KM, Dryza V, Payne RJ, Bieske EJ, Radom L, Schmidt TW. Hydrogen-adduction to open-shell graphene fragments: spectroscopy, thermochemistry and astrochemistry. Chemical Science. 8: 1186-1194. PMID 28451259 DOI: 10.1039/C6Sc03787A  0.369
2016 Poad BLJ, Reed ND, Hansen CS, Trevitt AJ, Blanksby SJ, Mackay EG, Sherburn MS, Chan B, Radom L. Preparation of an ion with the highest calculated proton affinity: -diethynylbenzene dianion. Chemical Science. 7: 6245-6250. PMID 30034765 DOI: 10.1039/C6Sc01726F  0.392
2016 Karimi M, Ignasiak MT, Chan B, Croft AK, Radom L, Schiesser CH, Pattison DI, Davies MJ. Reactivity of disulfide bonds is markedly affected by structure and environment: implications for protein modification and stability. Scientific Reports. 6: 38572. PMID 27941824 DOI: 10.1038/Srep38572  0.303
2016 Chan B, Karton A, Raghavachari K, Radom L. Restricted-Open-Shell G4(MP2)-Type Procedures. The Journal of Physical Chemistry. A. 120: 9299-9304. PMID 27934246 DOI: 10.1021/Acs.Jpca.6B09361  0.66
2016 Osburn S, Chan B, Ryzhov V, Radom L, O'Hair RA. Role of Hydrogen Bonding on the Reactivity of Thiyl Radicals: A Mass Spectrometric and Computational Study Using the Distonic Radical Ion Approach. The Journal of Physical Chemistry. A. PMID 27726360 DOI: 10.1021/Acs.Jpca.6B08544  0.391
2016 Chan B, Radom L. Frequency Scale Factors for Some Double-Hybrid Density Functional Theory Procedures: Accurate Thermochemical Components for High-Level Composite Protocols. Journal of Chemical Theory and Computation. PMID 27471908 DOI: 10.1021/Acs.Jctc.6B00554  0.332
2016 Chan B, Karton A, Easton CJ, Radom L. α-Hydrogen Abstraction by •OH and •SH Radicals from Amino Acids and Their Peptide Derivatives. Journal of Chemical Theory and Computation. PMID 26950040 DOI: 10.1021/Acs.Jctc.6B00007  0.628
2016 Krechkivska O, Wilcox CM, Troy TP, Nauta K, Chan B, Jacob R, Reid SA, Radom L, Schmidt TW, Kable SH. Hydrogen-atom attack on phenol and toluene is ortho-directed. Physical Chemistry Chemical Physics : Pccp. 18: 8625-36. PMID 26948897 DOI: 10.1039/C5Cp07619F  0.329
2016 Easton ME, Chan B, Masters AF, Maschmeyer T, Radom L. Beyond the halogen bond: Examining the limits of extended polybromide networks through quantum-chemical investigations. Chemistry, An Asian Journal. PMID 26833846 DOI: 10.1002/Asia.201501316  0.301
2015 Chan B, Goerigk L, Radom L. On the inclusion of post-MP2 contributions to double-Hybrid density functionals. Journal of Computational Chemistry. PMID 26135403 DOI: 10.1002/Jcc.23972  0.333
2015 Feketeová L, Chan B, Khairallah GN, Steinmetz V, Maître P, Radom L, O'Hair RA. Gas-phase structure and reactivity of the keto tautomer of the deoxyguanosine radical cation. Physical Chemistry Chemical Physics : Pccp. 17: 25837-44. PMID 25942055 DOI: 10.1039/C5Cp01573A  0.382
2015 Chan B, Easton CJ, Radom L. Outcome-changing effect of polarity reversal in hydrogen-atom-abstraction reactions. The Journal of Physical Chemistry. A. 119: 3843-7. PMID 25860917 DOI: 10.1021/Acs.Jpca.5B01890  0.35
2015 Krechkivska O, Wilcox CM, Chan B, Jacob R, Liu Y, Nauta K, Kable SH, Radom L, Schmidt TW. H and D attachment to naphthalene: spectra and thermochemistry of cold gas-phase 1-C10H9 and 1-C10H8D radicals and cations. The Journal of Physical Chemistry. A. 119: 3225-32. PMID 25756850 DOI: 10.1021/Acs.Jpca.5B01652  0.41
2015 Amos RI, Chan B, Easton CJ, Radom L. Hydrogen-atom abstraction from a model amino acid: dependence on the attacking radical. The Journal of Physical Chemistry. B. 119: 783-8. PMID 25072602 DOI: 10.1021/Jp505217Q  0.37
2014 Chan B, Gilbert AT, Gill PM, Radom L. Performance of Density Functional Theory Procedures for the Calculation of Proton-Exchange Barriers: Unusual Behavior of M06-Type Functionals. Journal of Chemical Theory and Computation. 10: 3777-83. PMID 26588522 DOI: 10.1021/Ct500506T  0.548
2014 Morris M, Chan B, Radom L. Effect of protonation state and interposed connector groups on bond dissociation enthalpies of alcohols and related systems. The Journal of Physical Chemistry. A. 118: 2810-9. PMID 24707804 DOI: 10.1021/Jp501256F  0.327
2014 Chan B, Radom L. Accurate quadruple-ζ basis-set approximation for double-hybrid density functional theory with an order of magnitude reduction in computational cost Theoretical Chemistry Accounts. 133: 1-10. DOI: 10.1007/S00214-013-1426-9  0.332
2013 Feketeová L, Khairallah GN, Chan B, Steinmetz V, Maître P, Radom L, O'Hair RA. Gas-phase infrared spectrum and acidity of the radical cation of 9-methylguanine. Chemical Communications (Cambridge, England). 49: 7343-5. PMID 23852224 DOI: 10.1039/C3Cc43244K  0.329
2013 Chan B, Radom L. Hierarchy of relative bond dissociation enthalpies and their use to efficiently compute accurate absolute bond dissociation enthalpies for C-H, C-C, and C-F bonds. The Journal of Physical Chemistry. A. 117: 3666-75. PMID 23607869 DOI: 10.1021/Jp401248R  0.393
2013 Goerigk L, Karton A, Martin JM, Radom L. Accurate quantum chemical energies for tetrapeptide conformations: why MP2 data with an insufficient basis set should be handled with caution. Physical Chemistry Chemical Physics : Pccp. 15: 7028-31. PMID 23403537 DOI: 10.1039/C3Cp00057E  0.66
2013 Karton A, Chan B, Raghavachari K, Radom L. Evaluation of the heats of formation of corannulene and C60 by means of high-level theoretical procedures. The Journal of Physical Chemistry. A. 117: 1834-42. PMID 23343032 DOI: 10.1021/Jp312585R  0.667
2013 O'Reilly RJ, Karton A, Radom L. Effect of substituents on the preferred modes of one-electron reductive cleavage of N-Cl and N-Br bonds. The Journal of Physical Chemistry. A. 117: 460-72. PMID 23282473 DOI: 10.1021/Jp310048F  0.616
2012 Chan B, Karton A, Raghavachari K, Radom L. Heats of Formation for CrO, CrO2, and CrO3: An Extreme Challenge for Black-Box Composite Procedures. Journal of Chemical Theory and Computation. 8: 3159-3166. PMID 26605727 DOI: 10.1021/Ct300495M  0.664
2012 Karton A, O'Reilly RJ, Chan B, Radom L. Determination of Barrier Heights for Proton Exchange in Small Water, Ammonia, and Hydrogen Fluoride Clusters with G4(MP2)-Type, MPn, and SCS-MPn Procedures-A Caveat. Journal of Chemical Theory and Computation. 8: 3128-3136. PMID 26605724 DOI: 10.1021/Ct3004723  0.592
2012 Chan B, Radom L. W1X-1 and W1X-2: W1-Quality Accuracy with an Order of Magnitude Reduction in Computational Cost. Journal of Chemical Theory and Computation. 8: 4259-4269. PMID 26605589 DOI: 10.1021/Ct300632P  0.309
2012 Chan B, Gill PM, Radom L. Performance of Gradient-Corrected and Hybrid Density Functional Theory: Role of the Underlying Local Density Approximation and the Gradient Correction. Journal of Chemical Theory and Computation. 8: 4899-906. PMID 26593183 DOI: 10.1021/Ct300603D  0.542
2012 Morris M, Chan B, Radom L. Heteroatomic deprotonation of substituted methanes and methyl radicals: theoretical insights into structure, stability, and thermochemistry. The Journal of Physical Chemistry. A. 116: 12381-7. PMID 23214477 DOI: 10.1021/Jp3101927  0.404
2012 Karton A, O'Reilly RJ, Pattison DI, Davies MJ, Radom L. Computational design of effective, bioinspired HOCl antioxidants: the role of intramolecular Cl+ and H+ shifts. Journal of the American Chemical Society. 134: 19240-5. PMID 23148773 DOI: 10.1021/Ja309273N  0.564
2012 Chan B, O'Reilly RJ, Easton CJ, Radom L. Reactivities of amino acid derivatives toward hydrogen abstraction by Cl• and OH•. The Journal of Organic Chemistry. 77: 9807-12. PMID 23061734 DOI: 10.1021/Jo3021538  0.314
2012 Menon AS, Bally T, Radom L. Influence of connector groups on the interactions of substituents with carbon-centered radicals. The Journal of Physical Chemistry. A. 116: 10203-8. PMID 23039815 DOI: 10.1021/Jp3064245  0.324
2012 Chan B, Trevitt AJ, Blanksby SJ, Radom L. Comment on the ionization energy of B2F4. The Journal of Physical Chemistry. A. 116: 9214-5. PMID 22928582 DOI: 10.1021/Jp306150U  0.355
2012 Chan B, Radom L. BDE261: a comprehensive set of high-level theoretical bond dissociation enthalpies. The Journal of Physical Chemistry. A. 116: 4975-86. PMID 22587308 DOI: 10.1021/Jp302542Z  0.365
2012 Karton A, O'Reilly RJ, Radom L. Assessment of theoretical procedures for calculating barrier heights for a diverse set of water-catalyzed proton-transfer reactions. The Journal of Physical Chemistry. A. 116: 4211-21. PMID 22497287 DOI: 10.1021/Jp301499Y  0.605
2012 Chan B, Radom L. Approaches for obtaining accurate rate constants for hydrogen abstraction by a chlorine atom. The Journal of Physical Chemistry. A. 116: 3745-52. PMID 22468903 DOI: 10.1021/Jp3007409  0.367
2012 Bucher D, Sandala GM, Durbeej B, Radom L, Smith DM. The elusive 5'-deoxyadenosyl radical in coenzyme-B12-mediated reactions. Journal of the American Chemical Society. 134: 1591-9. PMID 22229941 DOI: 10.1021/Ja207809B  0.5
2012 Chan B, Karton A, Raghavachari K, Radom L. Heats of formation for CrO, CrO 2, and CrO 3: An extreme challenge for black-box composite procedures Journal of Chemical Theory and Computation. 8: 3159-3166. DOI: 10.1021/ct300495m  0.565
2012 Karton A, O'Reilly RJ, Chan B, Radom L. Determination of barrier heights for proton exchange in small water, ammonia, and hydrogen fluoride clusters with G4(MP2)-type, MPn, and SCS-MPn procedures-a caveat Journal of Chemical Theory and Computation. 8: 3128-3136. DOI: 10.1021/ct3004723  0.511
2012 Chan B, Del Bene JE, Radom L. Proton-bound homodimers involving second-row atoms Theoretical Chemistry Accounts. 131: 1-8. DOI: 10.1007/S00214-012-1088-Z  0.368
2012 O'Reilly RJ, Karton A, Radom L. N-H and N-Cl homolytic bond dissociation energies and radical stabilization energies: An assessment of theoretical procedures through comparison with benchmark-quality W2w data International Journal of Quantum Chemistry. 112: 1862-1878. DOI: 10.1002/Qua.23210  0.621
2011 Chan B, Deng J, Radom L. G4(MP2)-6X: A Cost-Effective Improvement to G4(MP2). Journal of Chemical Theory and Computation. 7: 112-120. PMID 26606224 DOI: 10.1021/Ct100542X  0.311
2011 Chan B, Radom L. Obtaining Good Performance With Triple-ζ-Type Basis Sets in Double-Hybrid Density Functional Theory Procedures. Journal of Chemical Theory and Computation. 7: 2852-2863. PMID 26605476 DOI: 10.1021/Ct200396X  0.331
2011 Chalyavi N, Bacskay GB, Menon AS, Troy TP, Davis NJ, Radom L, Reid SA, Schmidt TW. Spectroscopy and thermochemistry of a jet-cooled open-shell polyene: 1,4-pentadienyl radical. The Journal of Chemical Physics. 135: 124306. PMID 21974521 DOI: 10.1063/1.3640475  0.402
2011 O'Reilly RJ, Chan B, Taylor MS, Ivanic S, Bacskay GB, Easton CJ, Radom L. Hydrogen abstraction by chlorine atom from amino acids: remarkable influence of polar effects on regioselectivity. Journal of the American Chemical Society. 133: 16553-9. PMID 21942745 DOI: 10.1021/Ja205962B  0.337
2011 O'Reilly RJ, Karton A, Radom L. Effect of substituents on the strength of N-X (X = H, F, and Cl) bond dissociation energies: a high-level quantum chemical study. The Journal of Physical Chemistry. A. 115: 5496-504. PMID 21548557 DOI: 10.1021/Jp203108E  0.62
2011 Menon AS, Henry DJ, Bally T, Radom L. Effect of substituents on the stabilities of multiply-substituted carbon-centered radicals. Organic & Biomolecular Chemistry. 9: 3636-57. PMID 21451861 DOI: 10.1039/C1Ob05196B  0.416
2011 Nagy P, Karton A, Betz A, Peskin AV, Pace P, O'Reilly RJ, Hampton MB, Radom L, Winterbourn CC. Model for the exceptional reactivity of peroxiredoxins 2 and 3 with hydrogen peroxide: a kinetic and computational study. The Journal of Biological Chemistry. 286: 18048-55. PMID 21385867 DOI: 10.1074/Jbc.M111.232355  0.605
2011 Pattison DI, O'Reilly RJ, Skaff O, Radom L, Anderson RF, Davies MJ. One-electron reduction of N-chlorinated and N-brominated species is a source of radicals and bromine atom formation. Chemical Research in Toxicology. 24: 371-82. PMID 21344936 DOI: 10.1021/Tx100325Z  0.355
2011 Chan B, Morris M, Radom L. OH bond dissociation energies Australian Journal of Chemistry. 64: 394-402. DOI: 10.1071/Ch11028  0.42
2011 Troy TP, Chalyavi N, Menon AS, O'Connor GD, Fückel B, Nauta K, Radom L, Schmidt TW. The spectroscopy and thermochemistry of phenylallyl radical chromophores Chemical Science. 2: 1755-1765. DOI: 10.1039/C1Sc00247C  0.302
2011 Chan B, Radom L. Assessment of theoretical procedures for hydrogen-atom abstraction by chlorine, and related reactions Theoretical Chemistry Accounts. 130: 251-260. DOI: 10.1007/S00214-011-0967-Z  0.39
2010 Chan B, Coote ML, Radom L. G4-SP, G4(MP2)-SP, G4-sc, and G4(MP2)-sc: Modifications to G4 and G4(MP2) for the Treatment of Medium-Sized Radicals. Journal of Chemical Theory and Computation. 6: 2647-53. PMID 26616066 DOI: 10.1021/Ct100266U  0.513
2010 Sandala GM, Smith DM, Radom L. Modeling the reactions catalyzed by coenzyme B12-dependent enzymes. Accounts of Chemical Research. 43: 642-51. PMID 20136160 DOI: 10.1021/Ar900260C  0.491
2009 Mintz B, Chan B, Sullivan MB, Buesgen T, Scott AP, Kass SR, Radom L, Wilson AK. Structures and thermochemistry of the alkali metal monoxide anions, monoxide radicals, and hydroxides. The Journal of Physical Chemistry. A. 113: 9501-10. PMID 19650655 DOI: 10.1021/Jp9034826  0.335
2009 Graham DC, Menon AS, Goerigk L, Grimme S, Radom L. Optimization and basis-set dependence of a restricted-open-shell form of B2-PLYP double-hybrid density functional theory. The Journal of Physical Chemistry. A. 113: 9861-73. PMID 19645437 DOI: 10.1021/Jp9042864  0.339
2009 Durbeej B, Sandala GM, Bucher D, Smith DM, Radom L. On the importance of ribose orientation in the substrate activation of the coenzyme B12-dependent mutases. Chemistry (Weinheim An Der Bergstrasse, Germany). 15: 8578-85. PMID 19630017 DOI: 10.1002/Chem.200901002  0.477
2009 Taylor MS, Ivanic SA, Wood GP, Easton CJ, Bacskay GB, Radom L. Hydrogen abstraction by chlorine atom from small organic molecules containing amino acid functionalities: an assessment of theoretical procedures. The Journal of Physical Chemistry. A. 113: 11817-32. PMID 19591497 DOI: 10.1021/Jp9029437  0.409
2009 Sandala GM, Kovacević B, Barić D, Smith DM, Radom L. On the reaction of glycerol dehydratase with but-3-ene-1,2-diol. Chemistry (Weinheim An Der Bergstrasse, Germany). 15: 4865-73. PMID 19326378 DOI: 10.1002/Chem.200802640  0.515
2009 O'Reilly RJ, Radom L. Ab initio investigation of the fragmentation of 5,5-diamino-substituted 1,4,2-oxathiazoles. Organic Letters. 11: 1325-8. PMID 19245242 DOI: 10.1021/Ol900109B  0.397
2009 Zhong G, Chan B, Radom L. Low barrier hydrogenolysis of the carbon-heteroatom bond as catalyzed by HAlF(4). Organic Letters. 11: 749-51. PMID 19140697 DOI: 10.1021/Ol802826H  0.362
2009 Chan B, Del Bene JE, Radom L. What factors determine whether a proton-bound homodimer has a symmetric or an asymmetric hydrogen bond? Molecular Physics. 107: 1095-1105. DOI: 10.1080/00268970902740571  0.315
2008 Wood GP, Gordon MS, Radom L, Smith DM. Nature of Glycine and Its α-Carbon Radical in Aqueous Solution: A Theoretical Investigation. Journal of Chemical Theory and Computation. 4: 1788-94. PMID 26620181 DOI: 10.1021/Ct8002942  0.601
2008 Menon AS, Radom L. Consequences of spin contamination in unrestricted calculations on open-shell species: effect of Hartree-Fock and Møller-Plesset contributions in hybrid and double-hybrid density functional theory approaches. The Journal of Physical Chemistry. A. 112: 13225-30. PMID 18759419 DOI: 10.1021/Jp803064K  0.336
2008 Sandala GM, Smith DM, Radom L. The carbon-skeleton rearrangement in tropane alkaloid biosynthesis. Journal of the American Chemical Society. 130: 10684-90. PMID 18627156 DOI: 10.1021/Ja801869A  0.516
2008 Chan B, Radom L. Zeolite-catalyzed hydrogenation of carbon dioxide and ethene. Journal of the American Chemical Society. 130: 9790-9. PMID 18593117 DOI: 10.1021/Ja800840Q  0.318
2008 Tian Z, Chan B, Sullivan MB, Radom L, Kass SR. Lithium monoxide anion: a ground-state triplet with the strongest base to date. Proceedings of the National Academy of Sciences of the United States of America. 105: 7647-51. PMID 18511563 DOI: 10.1073/Pnas.0801393105  0.331
2008 Menon AS, Wood GPF, Moran D, Radom L. Bond dissociation energies and radical stabilization energies: An assessment of contemporary theoretical procedures (Journal of Physical Chemistry A (2007) 111A) Journal of Physical Chemistry A. 112: 5554. DOI: 10.1021/Jp803933D  0.344
2008 Wood GPF, Gordon MS, Radom L, Smith DM. Nature of glycine and its a-carbon radical in aqueous solution: A theoretical investigation Journal of Chemical Theory and Computation. 4: 1788-1794. DOI: 10.1021/ct8002942  0.351
2007 Menon AS, Wood GP, Moran D, Radom L. Bond dissociation energies and radical stabilization energies: an assessment of contemporary theoretical procedures. The Journal of Physical Chemistry. A. 111: 13638-44. PMID 18047305 DOI: 10.1021/Jp076521R  0.389
2007 Merrick JP, Moran D, Radom L. An evaluation of harmonic vibrational frequency scale factors. The Journal of Physical Chemistry. A. 111: 11683-700. PMID 17948971 DOI: 10.1021/Jp073974N  0.339
2007 Chan B, Radom L. Uncatalyzed transfer hydrogenation of quinones and related systems: a theoretical mechanistic study. The Journal of Physical Chemistry. A. 111: 6456-67. PMID 17585851 DOI: 10.1021/Jp072837N  0.403
2007 Sandala GM, Smith DM, Marsh EN, Radom L. Toward an improved understanding of the glutamate mutase system. Journal of the American Chemical Society. 129: 1623-33. PMID 17249667 DOI: 10.1021/Ja066432C  0.494
2007 Zhong G, Chan B, Radom L. Hydrogenation of simple aromatic molecules: a computational study of the mechanism. Journal of the American Chemical Society. 129: 924-33. PMID 17243829 DOI: 10.1021/Ja066251A  0.325
2007 Zhong G, Chan B, Radom L. Uncatalyzed 1,4-hydrogenation of polycyclic aromatic hydrocarbons: A computational study Journal of Molecular Structure: Theochem. 811: 13-17. DOI: 10.1016/J.Theochem.2007.02.030  0.348
2006 Hemelsoet K, Van Speybroeck V, Moran D, Marin GB, Radom L, Waroquier M. Thermochemistry and kinetics of hydrogen abstraction by methyl radical from polycyclic aromatic hydrocarbons. The Journal of Physical Chemistry. A. 110: 13624-31. PMID 17165891 DOI: 10.1021/Jp065141N  0.392
2006 Sandala GM, Smith DM, Radom L. In search of radical intermediates in the reactions catalyzed by lysine 2,3-aminomutase and lysine 5,6-aminomutase. Journal of the American Chemical Society. 128: 16004-5. PMID 17165731 DOI: 10.1021/Ja0668421  0.492
2006 Wee S, Mortimer A, Moran D, Wright A, Barlow CK, O'Hair RA, Radom L, Easton CJ. Gas-phase regiocontrolled generation of charged amino acid and peptide radicals. Chemical Communications (Cambridge, England). 4233-5. PMID 17031442 DOI: 10.1039/B608724H  0.31
2006 Wood GP, Radom L, Petersson GA, Barnes EC, Frisch MJ, Montgomery JA. A restricted-open-shell complete-basis-set model chemistry. The Journal of Chemical Physics. 125: 094106. PMID 16965071 DOI: 10.1063/1.2335438  0.557
2006 Hemelsoet K, Moran D, Van Speybroeck V, Waroquier M, Radom L. An assessment of theoretical procedures for predicting the thermochemistry and kinetics of hydrogen abstraction by methyl radical from benzene. The Journal of Physical Chemistry. A. 110: 8942-51. PMID 16836458 DOI: 10.1021/Jp061823Z  0.404
2006 Chan B, Radom L. Design of effective zeolite catalysts for the complete hydrogenation of CO2. Journal of the American Chemical Society. 128: 5322-3. PMID 16620086 DOI: 10.1021/Ja0602492  0.307
2006 Sandala GM, Smith DM, Coote ML, Golding BT, Radom L. Insights into the hydrogen-abstraction reactions of diol dehydratase: relevance to the catalytic mechanism and suicide inactivation. Journal of the American Chemical Society. 128: 3433-44. PMID 16522124 DOI: 10.1021/Ja057902Q  0.64
2006 Miller DJ, Smith DM, Chan B, Radom L. Transfer hydrogenation between ethane and ethene: A critical assessment of theoretical procedures Molecular Physics. 104: 777-794. DOI: 10.1080/00268970500417093  0.479
2006 Moran D, Jacob R, Wood GPF, Coote ML, Davies MJ, O'Hair RAJ, Easton CJ, Radom L. Rearrangements in model peptide-type radicals via intramolecular hydrogen-atom transfer Helvetica Chimica Acta. 89: 2254-2272. DOI: 10.1002/Hlca.200690210  0.555
2005 Wood GP, Rauk A, Radom L. Modeling β-Scission Reactions of Peptide Backbone Alkoxy Radicals:  Backbone C-C Bond Fission. Journal of Chemical Theory and Computation. 1: 889-99. PMID 26641905 DOI: 10.1021/Ct050133G  0.391
2005 Chan B, Del Bene JE, Elguero J, Radom L. On the relationship between the preferred site of hydrogen bonding and protonation. The Journal of Physical Chemistry. A. 109: 5509-17. PMID 16839079 DOI: 10.1021/Jp0516994  0.351
2005 Izgorodina EI, Coote ML, Radom L. Trends in R-X bond dissociation energies (R = Me, Et, i-Pr, t-Bu; X = H, CH3, OCH3, OH, F): a surprising shortcoming of density functional theory. The Journal of Physical Chemistry. A. 109: 7558-66. PMID 16834125 DOI: 10.1021/Jp052021R  0.713
2005 Corral I, Mó O, Yáñez M, Radom L. Why are the Ca2+ and K+ binding energies of formaldehyde and ammonia reversed with respect to their proton affinities? The Journal of Physical Chemistry. A. 109: 6735-42. PMID 16834027 DOI: 10.1021/Jp051052J  0.681
2005 Wood GP, Moran D, Jacob R, Radom L. Bond dissociation energies and radical stabilization energies associated with model peptide-backbone radicals. The Journal of Physical Chemistry. A. 109: 6318-25. PMID 16833974 DOI: 10.1021/Jp051860A  0.406
2005 Haworth NL, Sullivan MB, Wilson AK, Martin JM, Radom L. Structures and thermochemistry of calcium-containing molecules. The Journal of Physical Chemistry. A. 109: 9156-68. PMID 16332025 DOI: 10.1021/Jp052889H  0.756
2005 Sandala GM, Smith DM, Radom L. Divergent mechanisms of suicide inactivation for ethanolamine ammonia-lyase. Journal of the American Chemical Society. 127: 8856-64. PMID 15954794 DOI: 10.1021/Ja051527K  0.486
2005 Chan B, Radom L. Base-catalyzed hydrogenation: rationalizing the effects of catalyst and substrate structures and solvation. Journal of the American Chemical Society. 127: 2443-54. PMID 15724999 DOI: 10.1021/Ja0450253  0.37
2004 Barratt BJ, Easton CJ, Henry DJ, Li IH, Radom L, Simpson JS. Inhibition of peptidylglycine alpha-amidating monooxygenase by exploitation of factors affecting the stability and ease of formation of glycyl radicals. Journal of the American Chemical Society. 126: 13306-11. PMID 15479085 DOI: 10.1021/Ja046204N  0.354
2004 Sandala GM, Smith DM, Coote ML, Radom L. Suicide inactivation of dioldehydratase by glycolaldehyde and chloroacetaldehyde: an examination of the reaction mechanism. Journal of the American Chemical Society. 126: 12206-7. PMID 15453720 DOI: 10.1021/Ja047377F  0.658
2004 Topf M, Sandala GM, Smith DM, Schofield CJ, Easton CJ, Radom L. The unusual bifunctional catalysis of epimerization and desaturation by carbapenem synthase. Journal of the American Chemical Society. 126: 9932-3. PMID 15303862 DOI: 10.1021/Ja047899V  0.474
2004 Henry DJ, Coote ML, Gómez-Balderas R, Radom L. Comparison of the kinetics and thermodynamics for methyl radical addition to C=C, C=O, and C=S double bonds. Journal of the American Chemical Society. 126: 1732-40. PMID 14871104 DOI: 10.1021/Ja039139A  0.573
2004 Chan B, Radom L. Understanding metal-free catalytic hydrogenation: A systematic theoretical study of the hydrogenation of ethene Australian Journal of Chemistry. 57: 659-663. DOI: 10.1071/Ch04031  0.351
2004 Gill PMW, Gordon MS, Head-Gordon M, Radom L. Remembrance: John A. Pople (1925–2004) The Journal of Chemical Physics. 120: 9445-9445. DOI: 10.1063/1.1757682  0.497
2004 Coote ML, Radom L. Substituent effects in xanthate-mediated polymerization of vinyl acetate: Ab initio evidence for an alternative fragmentation pathway Macromolecules. 37: 590-596. DOI: 10.1021/Ma035477K  0.582
2004 Corral I, Mó O, Yáñez M, Salpin JY, Tortajada J, Radom L. Gas-phase reactions between urea and Ca2-: The importance of coulomb explosions Journal of Physical Chemistry A. 108: 10080-10088. DOI: 10.1021/Jp046624Z  0.44
2004 Gómez-Balderas R, Coote ML, Henry DJ, Radom L. Reliable Theoretical Procedures for Calculating the Rate of Methyl Radical Addition to Carbon-Carbon Double and Triple Bonds Journal of Physical Chemistry A. 108: 2874-2883. DOI: 10.1021/Jp036375Z  0.601
2003 Coote ML, Pross A, Radom L. Variable trends in R-X bond dissociation energies (R = Me, Et, i-Pr, t-Bu). Organic Letters. 5: 4689-92. PMID 14627416 DOI: 10.1021/Ol035860+  0.539
2003 Croft AK, Easton CJ, Radom L. Design of radical-resistant amino acid residues: a combined theoretical and experimental investigation. Journal of the American Chemical Society. 125: 4119-24. PMID 12670233 DOI: 10.1021/Ja029674V  0.364
2003 Coote ML, Radom L. Ab initio evidence for slow fragmentation in RAFT polymerization. Journal of the American Chemical Society. 125: 1490-1. PMID 12568604 DOI: 10.1021/Ja028645H  0.584
2003 Rauk A, Boyd RJ, Boyd SL, Henry DJ, Radom L. Alkoxy radicals in the gaseous phase: β-scission reactions and formation by radical addition to carbonyl compounds Canadian Journal of Chemistry. 81: 431-442. DOI: 10.1139/V02-206  0.388
2003 Coote ML, Collins MA, Radom L. Calculation of accurate imaginary frequencies and tunnelling coefficients for hydrogen abstraction reactions using IRCmax Molecular Physics. 101: 1329-1338. DOI: 10.1080/0026897031000085092  0.541
2003 Henry DJ, Beckwith ALJ, Radom L. Homoanomeric effect in the 1,2-dimethoxyethyl radical Australian Journal of Chemistry. 56: 429-436. DOI: 10.1071/Ch02255  0.388
2003 Collins MA, Radom L. Proton-transport catalysis, proton abstraction, and proton exchange in HF+HOC+ and H2O+HOC+ and analogous deuterated reactions Journal of Chemical Physics. 118: 6222-6229. DOI: 10.1063/1.1559480  0.338
2003 Corral I, Mó O, Yáñez M, Scott AP, Radom L. Interactions between neutral molecules and Ca2+: An assessment of theoretical procedures Journal of Physical Chemistry A. 107: 10456-10461. DOI: 10.1021/Jp0363491  0.517
2003 Wood GPF, Henry DJ, Radom L. Performance of the RB3-LYP, RMP2, and UCCSD(T) procedures in calculating radical stabilization energies for •NHX radicals Journal of Physical Chemistry A. 107: 7985-7990. DOI: 10.1021/Jp035945S  0.399
2003 Gómez-Balderas R, Coote ML, Henry DJ, Fischer H, Radom L. What is the origin of the contrathermodynamic behavior in methyl radical addition to alkynes versus alkenes? Journal of Physical Chemistry A. 107: 6082-6090. DOI: 10.1021/Jp035042Z  0.585
2003 Sullivan MB, Iron MA, Redfern PC, Martin JML, Curtiss LA, Radom L. Heats of formation of alkali metal and alkaline earth metal oxides and hydroxides: Surprisingly demanding targets for high-level ab initio procedures Journal of Physical Chemistry A. 107: 5617-5630. DOI: 10.1021/Jp034851F  0.349
2003 Croft AK, Easton CJ, Kociuba K, Radom L. Strategic use of amino acid N-substituents to limit α-carbon- centered radical formation and consequent loss of stereochemical integrity Tetrahedron Asymmetry. 14: 2919-2926. DOI: 10.1016/S0957-4166(03)00542-1  0.374
2003 Barner-Kowollik C, Coote ML, Davis TP, Radom L, Vana P. The reversible addition-fragmentation chain transfer process and the strength and limitations of modeling: Comment on "The magnitude of the fragmentation rate coefficient" Journal of Polymer Science, Part a: Polymer Chemistry. 41: 2828-2832. DOI: 10.1002/Pola.10854  0.614
2002 Wetmore SD, Smith DM, Bennett JT, Radom L. Understanding the mechanism of action of B12-dependent ethanolamine ammonia-lyase: synergistic interactions at play. Journal of the American Chemical Society. 124: 14054-65. PMID 12440904 DOI: 10.1021/Ja027579G  0.448
2002 Lee CKY, Easton CJ, Gebara-Coghlan M, Radom L, Scott AP, Simpson GW, Willis AC. Substituent effects in isoxazoles: Identification of 4-substituted isoxazoles as Michael acceptors Journal of the Chemical Society. Perkin Transactions 2. 2031-2038. DOI: 10.1039/B207808B  0.358
2002 Coote ML, Wood GPF, Radom L. Methyl radical addition to C=S double bonds: Kinetic versus thermodynamic preferences Journal of Physical Chemistry A. 106: 12124-12138. DOI: 10.1021/Jp0267656  0.597
2002 Henry DJ, Parkinson CJ, Radom L. An assessment of the performance of high-level theoretical procedures in the computation of the heats of formation of small open-shell molecules Journal of Physical Chemistry A. 106: 7927-7936. DOI: 10.1021/Jp0260752  0.359
2002 Birch AJ, Hinde AL, Radom L. A theoretical approach to the Birch reduction. Structures and stabilities of cyclohexadienyl radicals Cheminform. 12. DOI: 10.1021/Ja00532A016  0.323
2001 Wetmore SD, Smith DM, Radom L. Catalysis by mutants of methylmalonyl-CoA mutase: a theoretical rationalization for a change in the rate-determining step. Chembiochem : a European Journal of Chemical Biology. 2: 919-22. PMID 11948881 DOI: 10.1002/1439-7633(20011203)2:12<919::Aid-Cbic919>3.0.Co;2-6  0.384
2001 Wetmore SD, Smith DM, Radom L. Enzyme catalysis of 1,2-amino shifts: the cooperative action of B6, B12, and aminomutases. Journal of the American Chemical Society. 123: 8678-89. PMID 11535072 DOI: 10.1021/Ja010211J  0.348
2001 Wetmore SD, Smith DM, Golding BT, Radom L. Interconversion of (S)-glutamate and (2S,3S)-3-methylaspartate: a distinctive B(12)-dependent carbon-skeleton rearrangement. Journal of the American Chemical Society. 123: 7963-72. PMID 11506551 DOI: 10.1021/Ja004246F  0.468
2001 Smith DM, Golding BT, Radom L. Understanding the mechanism of B(12)-dependent diol dehydratase: a synergistic retro-push--pull proposal. Journal of the American Chemical Society. 123: 1664-75. PMID 11456766 DOI: 10.1021/Ja001454Z  0.493
2001 Scott AP, Platz MS, Radom L. Singlet-triplet splittings and barriers to Wolff rearrangement for carbonyl carbenes. Journal of the American Chemical Society. 123: 6069-76. PMID 11414840 DOI: 10.1021/Ja004236E  0.395
2001 Sølling TI, Radom L. A G2 study of SH+ exchange reactions involving lone-pair donors and unsaturated hydrocarbons. Chemistry (Weinheim An Der Bergstrasse, Germany). 7: 1516-24. PMID 11330907 DOI: 10.1002/1521-3765(20010401)7:7<1516::Aid-Chem1516>3.0.Co;2-Q  0.35
2001 Fischer H, Radom L. Factors Controlling the Addition of Carbon-Centered Radicals to Alkenes-An Experimental and Theoretical Perspective. Angewandte Chemie (International Ed. in English). 40: 1340-1371. PMID 11317286 DOI: 10.1002/1521-3773(20010417)40:8<1340::Aid-Anie1340>3.0.Co;2-#  0.384
2001 Sølling TI, Smith DM, Radom L, Freitag MA, Gordon MS. Towards multireference equivalents of the G2 and G3 methods Journal of Chemical Physics. 115: 8758-8772. DOI: 10.1063/1.1411998  0.503
2001 Wetmore SD, Schofield R, Smith DM, Radom L. A theoretical investigation of the effects of electronegative substitution on the strength of C-H⋯N hydrogen bonds Journal of Physical Chemistry A. 105: 8718-8726. DOI: 10.1021/Jp011087T  0.453
2001 Henry DJ, Parkinson CJ, Mayer PM, Radom L. Bond dissociation energies and radical stabilization energies associated with substituted methyl radicals Journal of Physical Chemistry A. 105: 6750-6756. DOI: 10.1021/Jp010442C  0.419
2001 Hartmann M, Wetmore SD, Radom L. C−H···X Hydrogen Bonds of Acetylene, Ethylene, and Ethane with First- and Second-Row Hydrides The Journal of Physical Chemistry A. 105: 4470-4479. DOI: 10.1021/Jp001672E  0.39
2001 Smith DM, Wetmore SD, Radom L. Chapter 5 - Theoretical studies of coenzyme B 12 -dependent carbon-skeleton rearrangements Theoretical and Computational Chemistry. 9: 183-214. DOI: 10.1016/S1380-7323(01)80006-6  0.393
2000 Rasmussen DR, Radom L. Hemispiroalkaplanes: hydrocarbon cage systems with a pyramidal-tetracoordinate carbon atom and remarkable basicity Chemistry (Weinheim An Der Bergstrasse, Germany). 6: 2470-83. PMID 10939749 DOI: 10.1002/1521-3765(20000703)6:13<2470::Aid-Chem2470>3.0.Co;2-K  0.37
2000 Sølling TI, Radom L. Exchange of Cl+ between lone-pair donors and π-donors: A computational study European Journal of Mass Spectrometry. 6: 153-160. DOI: 10.1255/Ejms.335  0.373
2000 Hartmann M, Radom L. The acetylene-ammonia dimer as a prototypical C-H⋯N hydrogen-bonded system: An assessment of theoretical procedures Journal of Physical Chemistry A. 104: 968-973. DOI: 10.1021/Jp992234E  0.373
2000 Senger S, Radom L. Toward a low-barrier transition-metal-free catalysis of hydrogenation reactions: A theoretical mechanistic study of HAlX4-catalyzed hydrogenations of ethene (X = F, Cl, and Br) Journal of Physical Chemistry A. 104: 7375-7385. DOI: 10.1021/Jp001226R  0.366
2000 Chalk AJ, Mayer PM, Radom L. Rearrangement and fragmentation pathways of [C3H7Z]+ ions (Z = NH and S): Are ion-neutral complexes important? International Journal of Mass Spectrometry. 194: 181-196. DOI: 10.1016/S1387-3806(99)00127-X  0.353
2000 Sølling TI, Wild SB, Radom L. Formation of three-membered phosphorus heterocycles via ligand-exchange reactions in mono-adducts of the phosphenium ion: An ab initio investigation International Journal of Mass Spectrometry. 201: 205-213. DOI: 10.1016/S1387-3806(00)00224-4  0.338
2000 Chalk AJ, Radom L. The involvement of ion-neutral complexes in ethylene loss from [PhC(CH3)2]+ and its isomers International Journal of Mass Spectrometry. 199: 29-40. DOI: 10.1016/S1387-3806(00)00169-X  0.345
2000 Coote ML, Davis TP, Radom L. Models for free-radical copolymerization propagation kinetics Acs Symposium Series. 768: 82-92.  0.345
1999 Sølling TI, Wild SB, Radom L. A G2 Ab Initio Investigation of Ligand-Exchange Reactions Involving Mono- and Bis-Adducts of the Phosphenium Ion. Inorganic Chemistry. 38: 6049-6054. PMID 11671312 DOI: 10.1021/Ic991080E  0.33
1999 Rasmussen DR, Radom L. Planar-Tetracoordinate Carbon in a Neutral Saturated Hydrocarbon: Theoretical Design and Characterization. Angewandte Chemie (International Ed. in English). 38: 2875-2878. PMID 10540378 DOI: 10.1002/(Sici)1521-3773(19991004)38:19<2875::Aid-Anie2875>3.0.Co;2-D  0.334
1999 Parkinson CJ, Mayer PM, Radom L. An assessment of theoretical procedures for the calculation of reliable radical stabilization energies Journal of the Chemical Society. Perkin Transactions 2. 2305-2313. DOI: 10.1039/A905476F  0.362
1999 Coote ML, Davis TP, Radom L. Conformational dependence of the penultimate unit effect in free-radical copolymerization Macromolecules. 32: 5270-5276. DOI: 10.1021/Ma990468Q  0.559
1999 Coote ML, Davis TP, Radom L. Conformational Dependence of the Penultimate Unit Effect in Free-Radical Copolymerization Macromolecules. 32: 5270-5276. DOI: 10.1021/MA990468Q  0.371
1999 Coote ML, Davis TP, Radom L. Effect of the penultimate unit on radical stability and reactivity in free-radical polymerization Macromolecules. 32: 2935-2940. DOI: 10.1021/Ma9818073  0.633
1999 Schulz A, Smith BJ, Radom L. Heats of Formation of Alkali and Alkaline Earth Oxides and Hydroxides: Some Dramatic Failures of the G2 Method Journal of Physical Chemistry A. 103: 7522-7527. DOI: 10.1021/Jp991577+  0.347
1999 Smith DM, Golding BT, Radom L. Understanding the mechanism of B12-dependent methylmalonyl-CoA mutase: Partial proton transfer in action Journal of the American Chemical Society. 121: 9388-9399. DOI: 10.1021/Ja991649A  0.51
1999 Smith DM, Golding BT, Radom L. Toward a consistent mechanism for diol dehydratase catalyzed reactions: An application of the partial-proton-transfer concept Journal of the American Chemical Society. 121: 5700-5704. DOI: 10.1021/Ja990209G  0.431
1999 Smith DM, Golding BT, Radom L. Facilitation of enzyme-catalyzed reactions by partial proton transfer: Application to coenzyme-B12-dependent methylmalonyl-CoA mutase [3] Journal of the American Chemical Society. 121: 1383-1384. DOI: 10.1021/Ja983512A  0.418
1999 Chalk AJ, Radom L. Ion-transport catalysis: Catalyzed isomerizations of NNH+ and NNCH3 + Journal of the American Chemical Society. 121: 1574-1581. DOI: 10.1021/Ja982928L  0.343
1999 Smith DM, Golding BT, Radom L. On the mechanism of action of vitamin B12: Theoretical studies of the 2-methyleneglutarate mutase catalyzed rearrangement Journal of the American Chemical Society. 121: 1037-1044. DOI: 10.1021/Ja9827245  0.492
1999 Petrie S, Radom L. Magnesium- and calcium-containing molecular dications: A high-level theoretical study International Journal of Mass Spectrometry. 192: 173-183. DOI: 10.1016/S1387-3806(99)00115-3  0.378
1999 Sølling TI, Radom L. Exchange reactions of chloriranium and chlorirenium ions: a G2 investigation International Journal of Mass Spectrometry. 185: 263-270. DOI: 10.1016/S1387-3806(98)14138-6  0.395
1999 Coote ML, Davis TP, Radom L. The effect of remote substituents in free radical addition reactions: New evidence for the penultimate unit effect Journal of Molecular Structure: Theochem. 461: 91-96. DOI: 10.1016/S0166-1280(98)00427-8  0.645
1999 Sølling TI, Bruce Wild S, Radom L. Exchange and insertion reactions involving borane adducts of phosphirane and phosphirene: A G2(MP2) ab initio investigation Journal of Organometallic Chemistry. 580: 320-327. DOI: 10.1016/S0022-328X(98)01169-3  0.39
1999 Parkinson CJ, Mayer PM, Radom L. Cyanovinyl radical: An illustration of the poor performance of unrestricted perturbation theory and density functional theory procedures in calculating radical stabilization energies Theoretical Chemistry Accounts. 102: 92-96. DOI: 10.1007/S002140050477  0.411
1999 Sølling TI, Wild SB, Radom L. Are Pi-ligand exchange reactions of thiirenium and thiiranium ions feasible? An ab initio investigation Chemistry - a European Journal. 5: 509-514. DOI: 10.1002/(Sici)1521-3765(19990201)5:2<509::Aid-Chem509>3.0.Co;2-M  0.318
1998 Radom L, Rasmussen DR. The planar carbon story Pure and Applied Chemistry. 70: 1977-1984. DOI: 10.1351/Pac199870101977  0.364
1998 McKee ML, Mayer PM, Radom L. An ab initio study of ionised cyclobutanone and cyclopentanone. Comparison of the thermodynamic and kinetic stabilities of the distonic isomers • CH 2 (CH 2 ) n + C=O European Journal of Mass Spectrometry. 4: 23-30. DOI: 10.1255/Ejms.187  0.377
1998 Duke BJ, Radom L. Gaussian-2 (G2) theory for third-row elements: A systematic study of the effect of the 3d orbitals Journal of Chemical Physics. 109: 3352-3359. DOI: 10.1063/1.476930  0.342
1998 Mayer PM, Parkinson CJ, Smith DM, Radom L. Erratum: “An assessment of theoretical procedures for the calculation of reliable free radical thermochemistry: A recommended new procedure” [J. Chem. Phys. 108, 604 (1998)] The Journal of Chemical Physics. 108: 9598-9598. DOI: 10.1063/1.476372  0.48
1998 Mayer PM, Parkinson CJ, Smith DM, Radom L. An assessment of theoretical procedures for the calculation of reliable free radical thermochemistry: A recommended new procedure Journal of Chemical Physics. 108: 604-615. DOI: 10.1063/1.476256  0.527
1998 Scott AP, Golding BT, Radom L. Remarkable cleavage of molecular hydrogen without the use of metallic catalysts: A theoretical investigation New Journal of Chemistry. 22: 1171-1173. DOI: 10.1039/A806358C  0.332
1998 Mayer PM, Taylor MS, Wong MW, Radom L. Thermochemistry of CH3CN, CH3NC, and their cyclic isomers and related radicals, cations, and anions: Some curious discrepancies between theory and experiment Journal of Physical Chemistry A. 102: 7074-7080. DOI: 10.1021/Jp982272I  0.453
1998 Wong MW, Radom L. Radical addition to alkenes: Further assessment of theoretical procedures Journal of Physical Chemistry A. 102: 2237-2245. DOI: 10.1021/Jp973427+  0.321
1998 Sølling TI, McDonald MA, Wild SB, Radom L. Novel pi-ligand exchange and insertion reactions involving three- membered phosphorus heterocycles: An ab initio investigation Journal of the American Chemical Society. 120: 7063-7068. DOI: 10.1021/Ja980494O  0.411
1998 Chalk AJ, Radom L. The importance of ion-neutral complexes in gas-phase ionic reactions: Fragmentation of [CH3CH2OCH2]+ as a prototypical case Journal of the American Chemical Society. 120: 8430-8437. DOI: 10.1021/Ja9741786  0.397
1997 Blaudeau JP, McGrath MP, Curtiss LA, Radom L. Extension of Gaussian-2 (G2) theory to molecules containing third-row atoms K and Ca Journal of Chemical Physics. 107: 5016-5021. DOI: 10.1063/1.474865  0.358
1997 East ALL, Radom L. Ab initio statistical thermodynamical models for the computation of third-law entropies Journal of Chemical Physics. 106: 6655-6674. DOI: 10.1063/1.473958  0.315
1997 Gauld JW, Eriksson LA, Radom L. Assessment of procedures for calculating radical hyperfine structures Journal of Physical Chemistry A. 101: 1352-1359. DOI: 10.1021/Jp961328A  0.373
1997 Aubry C, Polce MJ, Holmes JL, Mayer PM, Radom L. Dimethylcarbene, its radical cation and dication Journal of the American Chemical Society. 119: 9039-9041. DOI: 10.1021/Ja971190P  0.327
1997 Chalk AJ, Radom L. Proton-transport catalysis: A systematic study of the rearrangement of the isoformyl cation to the formyl cation Journal of the American Chemical Society. 119: 7573-7578. DOI: 10.1021/Ja971055C  0.375
1997 East ALL, Smith BJ, Radom L. Entropies and free energies of protonation and proton-transfer reaction Journal of the American Chemical Society. 119: 9014-9020. DOI: 10.1021/Ja970891J  0.349
1997 Nicolaides A, Smith DM, Jensen F, Radom L. Phenyl radical, cation, and anion. The triplet-singlet gap and higher excited states of the phenyl cation Journal of the American Chemical Society. 119: 8083-8088. DOI: 10.1021/Ja970808S  0.502
1997 Gauld JW, Radom L. Effects of neutral bases on the isomerization of conventional radical cations CH3X.+ to their distonic isomers .CH2X+H (X = F, OH, NH2); proton-transport catalysis and other mechanisms Journal of the American Chemical Society. 119: 9831-9839. DOI: 10.1021/Ja970785H  0.356
1997 Nicolaides A, Radom L. Classical and nonclassical isomers of tropylium, silatropylium, and germatropylium cations. Descending the periodic table increases the preference for nonclassical structures Journal of the American Chemical Society. 119: 11933-11937. DOI: 10.1021/Ja9703281  0.384
1997 Mayer PM, Gal JF, Radom L. The heats of formation, gas-phase acidities, and related thermochemical properties of the third-row hydrides GeH4, AsH3, SeH2 and HBr from G2 ab initio calculations International Journal of Mass Spectrometry and Ion Processes. 167: 689-696. DOI: 10.1016/S0168-1176(97)00127-4  0.41
1997 Scott AP, Radom L. Ketene and ketene radical cation: The unusual effect of methyl and dimethyl substitution International Journal of Mass Spectrometry and Ion Processes. 160: 73-81. DOI: 10.1016/S0168-1176(96)04492-8  0.327
1997 Mayer PM, Radom L. An ab initio study concerning the experimental observability of C3H6 2+ isomers Chemical Physics Letters. 280: 244-250. DOI: 10.1016/S0009-2614(97)01119-6  0.405
1997 Gauld JW, Radom L. Accurate theoretical structures of radical cations containing unusually long bonds: the structures of CH3CH2OH.+, ĊH2CH2O+H2 Chemical Physics Letters. 275: 28-34. DOI: 10.1016/S0009-2614(97)00734-3  0.395
1996 Glukhovtsev MN, Pross A, McGrath MP, Radom L. Erratum: Extension of Gaussian‐2 (G2) theory to bromine‐ and iodine‐containing molecules: Use of effective core potentials [J. Chem. Phys. 103, 1878 (1995)] The Journal of Chemical Physics. 104: 3407-3407. DOI: 10.1063/1.471822  0.336
1996 Curtiss LA, Redfern PC, Smith BJ, Radom L. Gaussian-2 (G2) theory: Reduced basis set requirements Journal of Chemical Physics. 104: 5148-5152. DOI: 10.1063/1.471141  0.334
1996 Heuts JPA, Pross A, Radom L. Hydrogen transfer between ethyl radical and ethylene: An example where kinetics does not follow thermodynamics Journal of Physical Chemistry. 100: 17087-17089. DOI: 10.1021/Jp962379A  0.39
1996 Heuts JPA, Gilbert RG, Radom L. Determination of Arrhenius parameters for propagation in free-radical polymerizations: An assessment of ab initio procedures Journal of Physical Chemistry. 100: 18997-19006. DOI: 10.1021/Jp9614097  0.548
1996 Scott AP, Radom L. Harmonic vibrational frequencies: An evaluation of Hartree-Fock, Møller-Plesset, quadratic configuration interaction, density functional theory, and semiempirical scale factors Journal of Physical Chemistry. 100: 16502-16513. DOI: 10.1021/Jp960976R  0.333
1996 McKee ML, Nicolaides A, Radom L. A theoretical study of chlorine atom and methyl radical addition to nitrogen bases: Why do Cl atoms form two-center - Three electron bonds whereas CH3 radicals form two-center - Two-electron bonds? Journal of the American Chemical Society. 118: 10571-10576. DOI: 10.1021/Ja9613973  0.415
1996 Nicolaides A, Radom L. Relative stabilities and hydride affinities of silatropylium and silabenzyl cations and their isomers. Comparison with the carbon analogues tropylium and benzyl cations Journal of the American Chemical Society. 118: 10561-10570. DOI: 10.1021/Ja9609664  0.414
1996 Gauld JW, Audier H, Fossey J, Radom L. Water-catalyzed interconversion of conventional and distonic radical cations: Methanol and methyleneoxonium radical cations Journal of the American Chemical Society. 118: 6299-6300. DOI: 10.1021/Ja960924F  0.317
1996 Gauld JW, Glukhovtsev MN, Radom L. The structure of the methanol radical cation: An artificially short C-O bond with MP2 theory Chemical Physics Letters. 262: 187-193. DOI: 10.1016/0009-2614(96)01040-8  0.445
1996 Glukhovtsev MN, Bach RD, Pross A, Radom L. The performance of B3-LYP density functional theory in describing SN2 reactions at saturated carbon Chemical Physics Letters. 260: 558-564. DOI: 10.1016/0009-2614(96)00923-2  0.377
1995 Russell AJ, Scott AP, Radom L. Ab initio predictions of the gas-phase acidities of diazirine and diazomethane Australian Journal of Chemistry. 48: 401-405. DOI: 10.1071/Ch9950401  0.354
1995 Glukhovtsev MN, Pross A, McGrath MP, Radom L. Extension of Gaussian‐2 (G2) theory to bromine‐ and iodine‐containing molecules: Use of effective core potentials The Journal of Chemical Physics. 103: 1878-1885. DOI: 10.1063/1.469712  0.394
1995 Glukhovtsev MN, Pross A, Nicolaides A, Radom L. Is the most stable gas-phase isomer of the benzenium cation a face-protonated π-complex? Journal of the Chemical Society, Chemical Communications. 2347-2348. DOI: 10.1039/C39950002347  0.328
1995 Heuts JPA, Gilbert RG, Radom L. A Priori Prediction of Propagation Rate Coefficients in Free-Radical Polymerizations: Propagation of Ethylene Macromolecules. 28: 8771-8781. DOI: 10.1021/Ma00130A009  0.555
1995 Wong MW, Radom L. Radical Addition to Alkenes: An Assessment of Theoretical Procedures The Journal of Physical Chemistry. 99: 8582-8588. DOI: 10.1021/J100021A021  0.391
1995 Smith BJ, Radom L. Calculation of Proton Affinities Using the G2(MP2,SVP) Procedure The Journal of Physical Chemistry. 99: 6468-6471. DOI: 10.1021/J100017A028  0.335
1995 Smith BJ, Radom L. Gas-phase acidities: a comparison of density functional, MP2, MP4, F4, G2(MP2, SVP), G2(MP2) and G2 procedures Chemical Physics Letters. 245: 123-128. DOI: 10.1016/0009-2614(95)00988-G  0.316
1994 Wong MW, Pross A, Radom L. Addition of tert-Butyl Radical to Substituted Alkenes: A Theoretical Study of the Reaction Mechanism Journal of the American Chemical Society. 116: 11938-11943. DOI: 10.1021/Ja00105A037  0.401
1994 Scott AP, Nobes RH, Schaefer HF, Radom L. The Wolff Rearrangement: The Relevant Portion of the Oxirene-Ketene Potential Energy Hypersurface Journal of the American Chemical Society. 116: 10159-10164. DOI: 10.1021/Ja00101A039  0.356
1994 Wong MW, Pross A, Radom L. Comparison of the Addition of CH3.bul., CH2OH.bul., and CH2CN.bul. Radicals to Substituted Alkenes: A Theoretical Study of the Reaction Mechanism Journal of the American Chemical Society. 116: 6284-6292. DOI: 10.1021/Ja00093A031  0.391
1994 Vacek G, Galbraith JM, Yamaguchi Y, Schaefer HF, Nobes RH, Scott AP, Radom L. Oxirene: To Be or Not To Be? The Journal of Physical Chemistry. 98: 8660-8665. DOI: 10.1021/J100086A013  0.358
1994 Nicolaides A, Radom L. A Simple Failing of G2 Theory: Heats of Combustion The Journal of Physical Chemistry. 98: 3092-3093. DOI: 10.1021/J100063A009  0.303
1994 Gauld JW, Radom L. A reappraisal of the structures and stabilities of prototype distonic radical cations and their conventional isomers The Journal of Physical Chemistry. 98: 777-784. DOI: 10.1021/J100054A012  0.419
1994 Smith BJ, Radom L. An evaluation of the performance of density functional theory, MP2, MP4, F4, G2(MP2) and G2 procedures in predicting gas-phase proton affinities Chemical Physics Letters. 231: 345-351. DOI: 10.1016/0009-2614(94)01273-3  0.369
1993 Zoller U, Riggs N, Nguyen MT, Radom L. Trithia[1.1.1]Propellane Phosphorus, Sulfur, and Silicon and the Related Elements. 74: 437-438. DOI: 10.1080/10426509308038152  0.31
1993 Coffey D, Smith BJ, Radom L. Theoretical and experimental structures of vinyl chloride and vinyl bromide The Journal of Chemical Physics. 98: 3952-3959. DOI: 10.1063/1.464022  0.335
1993 Smith BJ, Radom L. Assigning absolute values to proton affinities: a differentiation between competing scales Journal of the American Chemical Society. 115: 4885-4888. DOI: 10.1021/Ja00064A058  0.331
1993 Wong MW, Radom L. Thermochemistry and ion-molecule reactions of isomeric C3H2.bul.+ cations Journal of the American Chemical Society. 115: 1507-1514. DOI: 10.1021/Ja00057A042  0.393
1993 Rauk A, Tschuikow-Roux E, Chen Y, McGrath MP, Radom L. The possible role of chlorine trioxide isomers in relation to stratospheric ozone The Journal of Physical Chemistry. 97: 7947-7954. DOI: 10.1021/J100132A025  0.345
1993 McKee ML, Radom L. Structures and stabilities of C3H4O+˙ isomers: A G2 theoretical study Organic Mass Spectrometry. 28: 1238-1244. DOI: 10.1002/Oms.1210281040  0.407
1993 Wong MW, Pross A, Radom L. Addition of Methyl Radical to Substituted Alkenes: A Theoretical Study of the Reaction Mechanism Israel Journal of Chemistry. 33: 415-425. DOI: 10.1002/Ijch.199300048  0.37
1993 Pople JA, Scott AP, Wong MW, Radom L. Scaling Factors for Obtaining Fundamental Vibrational Frequencies and Zero-Point Energies from HF/6-31G* and MP2/6-31G* Harmonic Frequencies Israel Journal of Chemistry. 33: 345-350. DOI: 10.1002/Ijch.199300041  0.606
1992 Smith B, Pople J, Curtiss L, Radom L. The Heat of Formation of Formaldimine Australian Journal of Chemistry. 45: 285-288. DOI: 10.1071/Ch9920285  0.338
1992 Smith BJ, Coffey D, Radom L. Theoretical and experimental structures of vinyl fluoride and vinyl alcohol The Journal of Chemical Physics. 97: 6113-6120. DOI: 10.1063/1.463721  0.326
1992 Curtiss LA, Nobes RH, Pople JA, Radom L. Theoretical study of the organosulfur systems CSHn (n=0–4) and CSHn+ (n=0–5): Dissociation energies, ionization energies, and enthalpies of formationa) The Journal of Chemical Physics. 97: 6766-6773. DOI: 10.1063/1.463654  0.676
1992 Ischtwan J, Smith BJ, Collins MA, Radom L. Potential energy surfaces describing ion complexes containing molecular hydrogen The Journal of Chemical Physics. 97: 1191-1210. DOI: 10.1063/1.463246  0.368
1992 Ma NL, Radom L, Collins MA. Classical trajectory study of the decomposition of HCOH⋅+ on a symmetry‐invariant potential‐energy surface The Journal of Chemical Physics. 96: 1093-1104. DOI: 10.1063/1.462195  0.325
1992 Riggs NV, Zoller U, Nguyen MT, Radom L. Structure infrared and Raman spectra, and thermochemistry of trithia[1.1.1]propellane Journal of the American Chemical Society. 114: 4354-4356. DOI: 10.1021/Ja00037A048  0.364
1992 Jemmis ED, Subramanian G, Radom L. closo-Silaboranes and closo-carboranes: contrasting relative stabilities and breakdown of the rule of topological charge stabilization Journal of the American Chemical Society. 114: 1481-1483. DOI: 10.1021/Ja00030A053  0.475
1992 Smith BJ, Tho NM, Radom L. Ionized methyl formate (CH3OCHO.ovrhdot.+) and its distonic isomer (.ovrhdot.CH2OC+HOH) Journal of the American Chemical Society. 114: 1151-1156. DOI: 10.1021/Ja00030A004  0.335
1992 Ma NL, Smith BJ, Radom L. Refined thermochemistry for the methanol radical cation (CH3OH.cntdot.+) and its distonic isomer (CH2OH2.cntdot.+) The Journal of Physical Chemistry. 96: 5804-5807. DOI: 10.1021/J100193A029  0.434
1992 Radom L. The chemistry of gas-phase ions: a theoretical approach International Journal of Mass Spectrometry and Ion Processes. 339-368. DOI: 10.1016/0168-1176(92)85068-B  0.357
1992 Jemmis ED, Wong MW, Bürgi H, Radom L. Helides of carbon and silicon: an ab initio study of their geometric and electronic structures Journal of Molecular Structure: Theochem. 261: 385-401. DOI: 10.1016/0166-1280(92)87088-H  0.571
1992 Ma NL, Smith BJ, Radom L. Refined calculations of the structures and stabilities of the formyl (HCO+) and isoformyl (COH+) cations Chemical Physics Letters. 197: 573-580. DOI: 10.1016/0009-2614(92)85818-U  0.407
1992 Ma NL, Smith BJ, Radom L. The energy difference between formaldehyde and hydroxymethylene radical cations failure of unrestricted (UMP2) and restricted (RMP2) Møller-Plesset procedures Chemical Physics Letters. 193: 386-394. DOI: 10.1016/0009-2614(92)85647-S  0.4
1992 Nobes RH, Radom L. The thermochemistry of the mercaptomethyl (CH2SH+) and thiomethoxy (CH3S+) cations: a comparison of G2 theory and experiment Chemical Physics Letters. 189: 554-559. DOI: 10.1016/0009-2614(92)85249-A  0.36
1992 Smith BJ, Smernik R, Radom L. The vinylidene-acetylene rearrangement. A phantom minimum on the MP2 potential energy surface Chemical Physics Letters. 188: 589-594. DOI: 10.1016/0009-2614(92)80871-8  0.379
1991 Marsden CJ, Smith BJ, Pople JA, Schaefer HF, Radom L. Characterization of the bifurcated structure of the water dimer The Journal of Chemical Physics. 95: 1825-1828. DOI: 10.1063/1.461030  0.607
1991 McGrath MP, Radom L. Extension of Gaussian‐1 (G1) theory to bromine‐containing molecules The Journal of Chemical Physics. 94: 511-516. DOI: 10.1063/1.460367  0.395
1991 Agranat I, Riggs NV, Radom L. The formamidine–formic acid dimer: a theoretical examination of its equilibrium structure and of the double-proton-transfer process Journal of the Chemical Society, Chemical Communications. 80-81. DOI: 10.1039/C39910000080  0.393
1991 Ma NL, Smith BJ, Pople JA, Radom L. Rearrangement and dissociative reactions of the methanol radical cation (CH3OH.bul.+): a comparison of theory and experiment Journal of the American Chemical Society. 113: 7903-7912. DOI: 10.1021/Ja00021A013  0.649
1991 Nobes RH, Moncrieff D, Wong MW, Radom L, Gill PM, Pople JA. The structure and stability of the O2+2 dication: a dramatic failure of Møller—Plesset perturbation theory Chemical Physics Letters. 182: 216-224. DOI: 10.1016/0009-2614(91)80204-B  0.713
1991 Swanton DJ, Marsden DCJ, Radom L. Theoretical study of the structure and unimolecular decomposition pathways of ethyloxonium, [CH3CH2OH2]+ Organic Mass Spectrometry. 26: 227-234. DOI: 10.1002/Oms.1210260409  0.397
1990 Smith BJ, Swanton DJ, Pople JA, Schaefer HF, Radom L. Transition structures for the interchange of hydrogen atoms within the water dimer The Journal of Chemical Physics. 92: 1240-1247. DOI: 10.1063/1.458133  0.649
1990 Tureček F, McLafferty FW, Smith BJ, Radom L. Neutralization-reionization and ab initio study of the CH2CHSOH ⇄ CH3CHSO rearrangement International Journal of Mass Spectrometry and Ion Processes. 101: 283-300. DOI: 10.1016/0168-1176(90)87017-B  0.412
1990 Smith BJ, Radom L. The heat of formation of the acetyl cation: a theoretical evaluation International Journal of Mass Spectrometry and Ion Processes. 101: 209-217. DOI: 10.1016/0168-1176(90)87012-6  0.36
1990 Wong MW, Radom L. Structure and stability of the tetrahydridoselenonium dication, SeH42+ Structural Chemistry. 1: 13-18. DOI: 10.1007/Bf00675779  0.424
1989 Wong MW, Nobes RH, Bouma WJ, Radom L. Isoelectronic analogs of molecular nitrogen: Tightly bound multiply charged species The Journal of Chemical Physics. 91: 2971-2979. DOI: 10.1063/1.456967  0.425
1989 Wong MW, Radom L. The HCNArF<sup>+</sup> cation: Prediction of a stable argon-nitrogen bonded species Journal of the Chemical Society, Chemical Communications. 719-721. DOI: 10.1039/C39890000719  0.352
1989 Gill PMW, Radom L. Structures and stabilities of the dimer dications of first- and second-row hydrides Journal of the American Chemical Society. 111: 4613-4622. DOI: 10.1021/Ja00195A014  0.402
1989 Gill PMW, Weatherall P, Radom L. The hemibonded dimer radical cation of thiirane Journal of the American Chemical Society. 111: 2782-2785. DOI: 10.1021/Ja00190A007  0.395
1989 Wong MW, Radom L. A theoretical study of the C3H42+ potential energy surface Journal of Molecular Structure. 198: 391-402. DOI: 10.1016/0022-2860(89)80051-1  0.384
1989 Hop CE, Holmes JL, Wong MW, Radom L. Neutralization-reionization of CH4+•: At which stage does fragmentation occur? Chemical Physics Letters. 159: 580-586. DOI: 10.1016/0009-2614(89)87536-0  0.38
1989 Wong MW, Radom L. Structures and stabilities of [C3H2]+ ˙ and [C3H2]2+ ions Organic Mass Spectrometry. 24: 539-545. DOI: 10.1002/Oms.1210240806  0.393
1988 Radom L, Gill PMW, Wong MW, Nobes RH. Multiply-charged cations: Remarkable structures and stabilities Pure and Applied Chemistry. 60: 183-188. DOI: 10.1351/Pac198860020183  0.359
1988 Riggs N, Radom L. Ab initio Studies on Hydrazines: 1H-Pyrrol-1-amine (N-Aminopyrrole) Australian Journal of Chemistry. 41: 397. DOI: 10.1071/Ch9880397  0.373
1988 Gill PMW, Pople JA, Radom L, Nobes RH. Why does unrestricted Mo/ller–Plesset perturbation theory converge so slowly for spin‐contaminated wave functions? The Journal of Chemical Physics. 89: 7307-7314. DOI: 10.1063/1.455312  0.592
1988 Gill PMW, Radom L. How does a dication lose a proton? Journal of the American Chemical Society. 110: 5311-5314. DOI: 10.1021/Ja00224A012  0.374
1988 Gill PMW, Radom L. Structures and stabilities of singly charged three-electron hemibonded systems and their hydrogen-bonded isomers Journal of the American Chemical Society. 110: 4931-4941. DOI: 10.1021/Ja00223A010  0.319
1988 Wong MW, Radom L. The vinyl dication (CH2CH{radical dot}2+: classical or bridged? International Journal of Mass Spectrometry and Ion Processes. 86: 319-327. DOI: 10.1016/0168-1176(88)80074-0  0.397
1988 Wong MW, Nobes RH, Radom L. The [HCS]+ and [H2CS]2+ potential energy surfaces: Predictions of bridged equilibrium structures Journal of Molecular Structure: Theochem. 163: 151-161. DOI: 10.1016/0166-1280(88)80387-7  0.387
1988 Gill PM, Radom L. The ACDCP model for estimating the kinetic energy release and transition structure bond length in the fragmentation of a diatomic dication Chemical Physics Letters. 147: 213-218. DOI: 10.1016/0009-2614(88)85086-3  0.581
1988 Gill PMW, Wong MW, Nobes RH, Radom L. How well can RMP4 theory treat homolytic fragmentations? Chemical Physics Letters. 148: 541-549. DOI: 10.1016/0009-2614(88)80328-2  0.371
1988 Radom L, Gill PMW, Wong MW. Simple models for describing the fragmentation behavior of multiply charged cations International Journal of Quantum Chemistry. 34: 567-573. DOI: 10.1002/Qua.560340861  0.341
1987 Wong MW, Nobes RH, Radom L. Remarkably stable trications and tetractions: The triheliomethyl trication (CHe3.3+) and tetraheliomethane tetraction (CHe 44+) Journal of the Chemical Society, Chemical Communications. 233-234. DOI: 10.1039/C39870000233  0.338
1987 Yates BF, Bouma WJ, MacLeod JK, Radom L. Spontaneous intramolecular hydrogen migration in ionized ethane-1,2-diol Journal of the Chemical Society, Chemical Communications. 204-205. DOI: 10.1039/C39870000204  0.368
1987 Li WK, Nobes RH, Radom L. Structures and rearrangement processes for the prototype alkyl, alkenyl and alkynyl anions: A theoretical study of the ethyl, ethenyl and ethynyl anions Journal of Molecular Structure: Theochem. 149: 67-79. DOI: 10.1016/0166-1280(87)80047-7  0.438
1987 Nobes RH, Bouma WJ, Macleod JK, Radom L. The ionization of ethylene oxide Chemical Physics Letters. 135: 78-83. DOI: 10.1016/0009-2614(87)87220-2  0.337
1987 Nobes RH, Pople JA, Radom L, Handy NC, Knowles PJ. Slow convergence of the møller-plesset perturbation series: the dissociation energy of hydrogen cyanide and the electron affinity of the cyano radical Chemical Physics Letters. 138: 481-485. DOI: 10.1016/0009-2614(87)80545-6  0.668
1987 Nobes RH, Wong MW, Radom L. The structure of the C2H2+4 dication Chemical Physics Letters. 136: 299-302. DOI: 10.1016/0009-2614(87)80255-5  0.358
1987 Gill PM, Radom L. A rationalization of unusually late transition structures for dication fragmentations Chemical Physics Letters. 136: 294-298. DOI: 10.1016/0009-2614(87)80254-3  0.583
1987 Riggs NV, Radom L. The 3-21G(N*) basis set: An economical polarized basis set for ab initio studies on nitrogen-containing molecules International Journal of Quantum Chemistry. 31: 393-403. DOI: 10.1002/Qua.560310310  0.338
1987 Yates BF, Radom L. Structures and relative energies of gas-phase [C2H7N]+˙ radical cations Organic Mass Spectrometry. 22: 430-436. DOI: 10.1002/Oms.1210220709  0.414
1986 Radom L, Nobes RH, Underwood DJ, Li W. Benzyne and related systems: an ab initio molecular orbital approach Pure and Applied Chemistry. 58: 75-88. DOI: 10.1351/Pac198658010075  0.384
1986 Murphy R, Schaefer HF, Nobes RH, Radom L, Pitzer RM. The equilibrium geometry of f* In its ground electronic state. A simple example of the effects of symmetry breaking on an observable molecular property International Reviews in Physical Chemistry. 5: 229-237. DOI: 10.1080/01442358609353387  0.355
1986 Yates BF, Bouma WJ, Radom L. Distonic radical cations Tetrahedron. 42: 6225-6234. DOI: 10.1016/S0040-4020(01)88084-4  0.375
1986 Gill PM, Radom L. Deceptive convergence in møller-plesset perturbation energies Chemical Physics Letters. 132: 16-22. DOI: 10.1016/0009-2614(86)80686-8  0.577
1986 Nobes RH, Radom L. Rationalization of scrambling processes among [C2H3O]+ ions Organic Mass Spectrometry. 21: 407-409. DOI: 10.1002/Oms.1210210705  0.365
1985 Li WK, Baker J, Radom L. Rearrangement of the Fulminate Anion (CNO-) to the Cyanate Anion (OCN-): Possible Intermediacy of the Oxazirinyl Anion Australian Journal of Chemistry. 39: 913-21. DOI: 10.1071/Ch9860913  0.418
1985 Riggs N, Radom L. Ab Initio Studies on Amides: Cyanamide, Dicyanamide and Tricyanamide Australian Journal of Chemistry. 38: 835. DOI: 10.1071/Ch9850835  0.368
1985 Baker J, Kingston EE, Bouma WJ, Brenton AG, Radom L. Is the methylenemethonium radical cation (ĊH2CH4) a stable species Journal of the Chemical Society, Chemical Communications. 1625-1627. DOI: 10.1039/C39850001625  0.351
1985 Riggs NV, Radom L. A planar hydrazine: bi(1,2,3-azadiboriridin-1-yl) Journal of the Chemical Society, Chemical Communications. 1193-1194. DOI: 10.1039/C39850001193  0.373
1985 Radom L, Baker J, Gill PM, Nobes RH, Riggs NV. A theoretical approach to molecular conformational analysis Journal of Molecular Structure. 126: 271-290. DOI: 10.1016/0022-2860(85)80120-4  0.586
1985 Yates BF, Nobes RH, Radom L. The methyleneammonium radical cation (CH2NH3+) Chemical Physics Letters. 116: 474-477. DOI: 10.1016/0009-2614(85)85197-6  0.417
1985 Rauk A, Bouma WJ, Radom L. Isomerization of cyclopropylidene to allene Journal of the American Chemical Society. 107: 3780-3786. DOI: 10.1002/Chin.198542099  0.316
1984 Radom L, Bouma WJ, Nobes RH, Yates BF. A theoretical approach to gas-phase ion chemistry Pure and Applied Chemistry. 56: 1831-1842. DOI: 10.1351/Pac198456121831  0.435
1984 Saebo S, Farnell L, Riggs NV, Radom L. Molecular structure, rotational constants, and vibrational frequencies for ethynamine (NH2-C.tplbond.CH): a possible interstellar molecule Journal of the American Chemical Society. 106: 5047-5051. DOI: 10.1021/Ja00330A001  0.381
1984 Farnell L, Radom L. Structure of butatrienone (CH2:C:C:C:O) Journal of the American Chemical Society. 106: 25-28. DOI: 10.1021/Ja00313A006  0.302
1984 Bouma WJ, Poppinger D, Saebø S, Macleod JK, Radom L. The nature of the C…C ring-opened form of the ethylene oxide radical cation Chemical Physics Letters. 104: 198-202. DOI: 10.1016/0009-2614(84)80195-5  0.377
1984 Bouma WJ, Gill PMW, Radom L. The potential energy surface for the [C2H2O]+˙ system: The ketene radical cation [CH2CO]+˙ and its isomers Organic Mass Spectrometry. 19: 610-616. DOI: 10.1002/Oms.1210191205  0.355
1984 Nobes RH, Radom L. Structures and relative energies of gas phase [C3H7O]+ ions Organic Mass Spectrometry. 19: 385-393. DOI: 10.1002/Oms.1210190807  0.412
1984 SAEBO S, FARNELL L, RIGGS NV, RADOM L. ChemInform Abstract: MOLECULAR STRUCTURE, ROTATIONAL CONSTANTS, AND VIBRATIONAL FREQUENCIES FOR ETHYNAMINE (NH2-CCH): A POSSIBLE INTERSTELLAR MOLECULE Chemischer Informationsdienst. 15. DOI: 10.1002/Chin.198451068  0.312
1984 Nobes RH, Bouma WJ, Radom L. Rearrangement and fragmentation processes in the methanethiol and dimethyl sulfide radical cations Journal of the American Chemical Society. 106: 2774-2781. DOI: 10.1002/Chin.198434110  0.309
1983 Saebo S, Radom L, Schaefer HF. The weakly exothermic rearrangement of methoxy radical (CH3O⋅) to the hydroxymethyl radical (CH2OH⋅) Journal of Chemical Physics. 78: 845-853. DOI: 10.1063/1.444785  0.419
1983 Bouma WJ, Radom L. Methyleneoxonium and hydroxymethylene dications: dicationic analogs of ethylene and acetylene Journal of the American Chemical Society. 105: 5484-5486. DOI: 10.1021/Ja00354A054  0.34
1983 Kim KS, Schaefer HF, Radom L, Pople JA, Binkley JS. Vibrational frequencies of the cyanocarbene (HCCN) molecule. A near degeneracy between bent cyanocarbene and linear allene-related geometries Journal of the American Chemical Society. 105: 4148-4154. DOI: 10.1021/Ja00351A004  0.635
1983 Bouma WJ, Nobes RH, Radom L. Unusual low-energy isomers of the ethanol and dimethyl ether radical cations Journal of the American Chemical Society. 105: 1743-1746. DOI: 10.1021/Ja00345A007  0.303
1983 Nobes RH, Bouma WJ, Radom L. Structures and stabilities of gas-phase C2H3O+ ions: an ab initio molecular orbital study Journal of the American Chemical Society. 105: 309-314. DOI: 10.1021/Ja00341A001  0.309
1983 Nobes RH, Radom L. A theoretical study of the condensation reactions of methyl cation with ammonia, water, hydrogen fluoride and hydrogen sulphide Chemical Physics. 74: 163-169. DOI: 10.1016/0301-0104(83)80019-6  0.418
1983 Bouma WJ, Poppinger D, Radom L. The structure of the cyclobutane radical cation Journal of Molecular Structure: Theochem. 103: 209-218. DOI: 10.1016/0166-1280(83)85021-0  0.406
1983 Saebo S, Radom L. The structure of aminopropenenitrile (CH2C(NH2)CN) Journal of Molecular Structure: Theochem. 105: 119-128. DOI: 10.1016/0166-1280(83)80038-4  0.388
1983 Bouma WJ, MacLeod JK, Nobes RH, Radom L. Unusual gas-phase isomers of simple organic radical cations International Journal of Mass Spectrometry and Ion Physics. 46: 235-238. DOI: 10.1016/0020-7381(83)80096-5  0.344
1983 Nobes RH, Radom L. The vinyloxonium cation (CH2CHOH2+) Chemical Physics Letters. 99: 107-111. DOI: 10.1016/0009-2614(83)80539-9  0.402
1983 Bouma WJ, Dawes JM, Radom L. The methylamine radical cation [CH3NH2]+˙ and its stable isomer the methylenammonium radical cation [CH2NH3]+˙ Journal of Mass Spectrometry. 18: 12-15. DOI: 10.1002/Oms.1210180104  0.446
1983 Bouma WJ, Poppinger D, Radom L. The Ionization of Alkanes Israel Journal of Chemistry. 23: 21-36. DOI: 10.1002/Ijch.198300004  0.414
1983 Bouma WJ, Poppinger D, Radom L. Structure of the Cyclobutane Radical Cation Cheminform. 14. DOI: 10.1002/Chin.198344071  0.333
1983 KIM KS, SCHAEFER HFI, RADOM L, POPLE JA, BINKLEY JS. ChemInform Abstract: VIBRATIONAL FREQUENCIES OF THE CYANOCARBENE (HCCN) MOLECULE. A NEAR DEGENERACY BETWEEN BENT CYANOCARBENE AND LINEAR ALLENE-RELATED GEOMETRIES Chemischer Informationsdienst. 14. DOI: 10.1002/chin.198340067  0.55
1983 Saebo S, Radom L, Schaefer HFI. The Weakly Exothermic Rearrangement Of Methoxy Radical (Ch3O) To The Hydroxymethyl Radical (Ch2Oh) Cheminform. 14. DOI: 10.1002/Chin.198317113  0.33
1982 Bouma WJ, Nobes RH, Radom L, Woodward C. Existence of stable structural isomers of ketene. A theoretical study of the C2H2O potential energy surface The Journal of Organic Chemistry. 47: 1869-1875. DOI: 10.1021/Jo00349A010  0.313
1982 Bouma WJ, MacLeod JK, Radom L. Experimental evidence for the existence of a stable isomer of CH3OH+.cntdot.: the methylenoxonium radical cation, CH2OH2+.cntdot. Journal of the American Chemical Society. 104: 2930-2931. DOI: 10.1021/Ja00374A043  0.368
1982 Bouma WJ, Nobes RH, Radom L. Methylenoxonium radical cation (CH2OH2+.bul.): a surprisingly stable isomer of the methanol radical cation Journal of the American Chemical Society. 104: 2929-2930. DOI: 10.1021/Ja00374A042  0.346
1982 Farnell L, Nobes RH, Radom L. A theoretical consideration of the quasi-bent nature of the HCNO molecule Journal of Molecular Spectroscopy. 93: 271-280. DOI: 10.1016/0022-2852(82)90167-9  0.384
1982 Bouma WJ, Yates BF, Radom L. On the structures and relative energies of CH3F⨥ isomers Chemical Physics Letters. 92: 620-625. DOI: 10.1016/0009-2614(82)83661-0  0.389
1982 Farnell L, Radom L. The structure of propadienone (CH2CCO) Chemical Physics Letters. 91: 373-377. DOI: 10.1016/0009-2614(82)83303-4  0.421
1982 Nobes RH, Bouma WJ, Radom L. The additivity of polarization function and electron correlation effects in ab initio molecular-orbital calculations Chemical Physics Letters. 89: 497-500. DOI: 10.1016/0009-2614(82)83053-4  0.365
1982 Nobes RH, Radom L. The structure and dissociation pathways of protonated methanol: Anab initio molecular orbital study Organic Mass Spectrometry. 17: 340-344. DOI: 10.1002/Oms.1210170711  0.446
1982 Bouma WJ, Nobes RH, Radom L. On the nature of the ‘methoxy’ cation Organic Mass Spectrometry. 17: 315-317. DOI: 10.1002/Oms.1210170705  0.402
1982 Nobes RH, Rodwell WR, Radom L. The 6-31G++ basis set: An economical basis set for correlated wavefunctions Journal of Computational Chemistry. 3: 561-564. DOI: 10.1002/Jcc.540030414  0.336
1981 Komornicki A, Dykstra CE, Vincent MA, Radom L. A theoretical study of propadienone and its isomers propynal and cyclopropenone Journal of the American Chemical Society. 103: 1652-1656. DOI: 10.1021/Ja00397A009  0.426
1981 Nobes RH, Radom L. HOC+: An observable interstellar species? A comparison with the isomeric and isoelectronic HCO+, HCN and HNC Chemical Physics. 60: 1-10. DOI: 10.1016/0301-0104(81)80102-4  0.357
1981 Farnell L, Radom L, Vincent MA. The geometric and electronic structures of oxocarbons. An ab initio molecular orbital study Journal of Molecular Structure: Theochem. 76: 1-10. DOI: 10.1016/0166-1280(81)85108-1  0.352
1981 Nobes RH, Radom L, Allinger NL. Equilibrium conformations of higher-energy rotational isomers of vinyl alcohol and methyl vinyl ether Journal of Molecular Structure: Theochem. 85: 185-194. DOI: 10.1016/0166-1280(81)85061-0  0.377
1981 Kemister G, Pross A, Radom L, Taft RW. A theoretical approach to substituent effects. A comparison of the isoelectronic BH3?, CH3, and NH3+ groups and their interaction with substituents in disubstituted benzenes Journal of Computational Chemistry. 2: 470-477. DOI: 10.1002/Jcc.540020415  0.306
1980 Rodwell WR, Radom L. The Hartree–Fock geometry of ammonia The Journal of Chemical Physics. 72: 2205-2206. DOI: 10.1063/1.439323  0.364
1980 Adeney PD, Bouma WJ, Radom L, Rodwell WR. Nitrosomethane and its nitrone and oxime isomers. A theoretical study of 1,2- and 1,3-intramolecular hydrogen shifts Journal of the American Chemical Society. 102: 4069-4074. DOI: 10.1021/Ja00532A015  0.327
1980 Birch AJ, Hinde AL, Radom L. A theoretical approach to the Birch reduction. Structures and stabilities of the radical anions of substituted benzenes Journal of the American Chemical Society. 102: 3370-3376. DOI: 10.1021/Ja00530A012  0.351
1980 Pross A, Radom L, Riggs NV. A theoretical approach to substituent effects. Structural consequences of methyl hyperconjugation. Methyl tilt angles and carbon-hydrogen bond lengths Journal of the American Chemical Society. 102: 2253-2259. DOI: 10.1021/Ja00527A019  0.304
1980 Bouma WJ, MacLeod JK, Radom L. Structures and stabilities of C3H6O+. isomers. An ab initio molecular orbital study Journal of the American Chemical Society. 102: 2246-2252. DOI: 10.1021/Ja00527A018  0.373
1980 Birch AJ, Hinde AL, Radom L. A theoretical approach to the Birch reduction. Structures and stabilities of cyclohexadienyl radicals Journal of the American Chemical Society. 102: 4074-4080. DOI: 10.1021/Ja00392A006  0.323
1980 Pross A, Radom L. A theoretical approach to substituent effects Tetrahedron. 36: 673-676. DOI: 10.1016/0040-4020(80)88013-6  0.369
1980 Pross A, Radom L. A theoretical approach to substituent effects Tetrahedron. 36: 1999-2003. DOI: 10.1016/0040-4020(80)80213-4  0.381
1980 Bouma WJ, Macleod JK, Radom L. An ab initio molecular orbital study of the CH2O+− isomers: The stability of the hydroxymethylene radical cation International Journal of Mass Spectrometry and Ion Physics. 33: 87-93. DOI: 10.1016/0020-7381(80)80038-6  0.43
1980 Nobes RH, Radom L, Rodwell WR. Influence of basis set and electron correlation on calculated barriers to 1,2-hydrogen shifts. The oxoniomethylene cation: A new CH3O+ isomer? Chemical Physics Letters. 74: 269-272. DOI: 10.1016/0009-2614(80)85155-4  0.457
1980 Rodwell WR, Bouma WJ, Radom L. Ab initio studies of 1,3-sigmatropic rearrangements: Effect of basis set and electron correlation International Journal of Quantum Chemistry. 18: 107-116. DOI: 10.1002/Qua.560180117  0.319
1980 Pross A, Radom L. A theoretical approach to substituent effects. Structural consequences of electrostatic and orbital interactions in model mono- and disubstituted methanes Journal of Computational Chemistry. 1: 295-300. DOI: 10.1002/Jcc.540010313  0.301
1980 Hinde AL, Pross A, Radom L. A theoretical approach to substituent effects. Interactions between directly bonded groups in the neutrals X?NH2, X?OH, and X?F and the anions X?NH? and X?O? Journal of Computational Chemistry. 1: 118-128. DOI: 10.1002/Jcc.540010203  0.406
1980 Radom L, Vincent MA. Intramolecular Interactions Through Triple Bonds. Internal Rotation in Aminoborylpolyynes, NH2(C≡C)n BH2 Israel Journal of Chemistry. 19: 305-308. DOI: 10.1002/Ijch.198000037  0.318
1980 Bouma WJ, Radom L, Rodwell WR. Structures and thermodynamic stabilities of the C2H4O isomers: Acetaldehyde, vinyl alcohol and ethylene oxide Theoretica Chimica Acta. 56: 149-155. DOI: 10.1002/Chin.198044074  0.363
1979 Ballard M, Bouma W, Radom L, Vincent M. Creation of a Simple Stable Enol. The Stabilizing Properties of the Diazonium Substituent Australian Journal of Chemistry. 32: 1401. DOI: 10.1071/Ch9791401  0.406
1979 Bouma WJ, MacLeod JK, Radom L. An ab initio molecular orbital study of the structures and stabilities of the C2H4O+.cntdot. isomers Journal of the American Chemical Society. 101: 5540-5545. DOI: 10.1021/Ja00513A015  0.373
1979 Bouma WJ, Radom L. Nitrosoacetaldehyde and its enol and oxime isomers. A theoretical investigation of an asymmetric 1,5-sigmatropic hydrogen shift Journal of the American Chemical Society. 101: 3487-3490. DOI: 10.1021/Ja00507A010  0.315
1979 Kao J, Radom L. Conformations, stabilities, and charge distributions in 2- and 3-monosubstituted thiophenes. An ab initio molecular orbital study Journal of the American Chemical Society. 101: 311-318. DOI: 10.1021/Ja00481A001  0.31
1979 Bouma WJ, Radom L. Is the carboxylic acid-fluoride bond really the strongest type of hydrogen bond? Chemical Physics Letters. 64: 216-218. DOI: 10.1016/0009-2614(79)80499-6  0.346
1978 Gowenlock B, Radom L. Nitrosyl cyanide and related aspects of the ONCN potential surface Australian Journal of Chemistry. 31: 2349-2353. DOI: 10.1071/Ch9782349  0.376
1978 Bouma W, Radom L. An ab initio approach to creating a simple stable enol Australian Journal of Chemistry. 31: 1649. DOI: 10.1071/Ch9781649  0.409
1978 Bouma W, Radom L. Keto-enol tautomerism. Relative stabilization of enol isomers Australian Journal of Chemistry. 31: 1167-1176. DOI: 10.1071/Ch9781167  0.412
1978 Craig D, Radom L, Schaefer IH. Multiply charged aromatic cations : The heptalenium dication Australian Journal of Chemistry. 31: 261. DOI: 10.1071/Ch9780261  0.368
1978 Hinde AL, Poppinger D, Radom L. Ab initio study of the benzene radical anion Journal of the American Chemical Society. 100: 4681-4685. DOI: 10.1021/Ja00483A010  0.385
1978 Poppinger D, Radom L. A theoretical study of substituted CHNO isomers Journal of the American Chemical Society. 100: 3674-3685. DOI: 10.1021/Ja00480A004  0.352
1978 Kao J, Radom L. An ab initio molecular orbital study of structures and energies of spiro compounds: spiropentane, spiropentene, spiropentadiene, spiro[2.4]hepta-4,6-diene, spiro[2.4]heptatriene, and spiro[4.4]nonatetraene Journal of the American Chemical Society. 100: 760-767. DOI: 10.1021/Ja00471A017  0.355
1978 Rodwell WR, Carlsen NR, Radom L. Theoretical studies of the effect of electron correlation on the geometry and barriers to internal rotation in hydrogen peroxide Chemical Physics. 31: 177-186. DOI: 10.1016/0301-0104(78)87034-7  0.376
1978 Kao J, Radom L. An ab initio molecular orbital study of structures and energies of spirocompounds: spiro[3.3]heptane and spiro[3.3]hepta-1,5-diene Tetrahedron. 34: 2515-2521. DOI: 10.1016/0040-4020(78)88380-X  0.412
1978 Radom L, Stiles PJ, Vincent MA. Pronounced conformational preferences in 1,4-disubstituted but-2-ynes Journal of Molecular Structure. 48: 259-270. DOI: 10.1016/0022-2860(78)80029-5  0.341
1978 Bouma WJ, Vincent MA, Radom L. Ab initio molecular orbital studies of sigmatropic rearrangements International Journal of Quantum Chemistry. 14: 767-777. DOI: 10.1002/Qua.560140609  0.417
1978 Radom L, Stiles PJ, Vincent MA. Influence of substituent electronegativities on conformational preferences in 1,2-disubstituted ethanes Journal of Molecular Structure. 48: 431-440. DOI: 10.1002/Chin.197844066  0.35
1977 Radom L, Binkley J, Pople J. The molecular structure of ammonia oxide (NH3O). An ab initio study Australian Journal of Chemistry. 30: 699. DOI: 10.1071/Ch9770699  0.649
1977 Gregory A, Paddon-Row M, Radom L, Stohrer W. Bond-stretch isomerism in [2,2,2]propellanes Australian Journal of Chemistry. 30: 473. DOI: 10.1071/Ch9770473  0.423
1977 John IG, Ritchie GLD, Radom L. Conformations of furan-, pyrrole-, and pyridine-carbaldehydes: an ab initio molecular orbital study Journal of the Chemical Society-Perkin Transactions 1. 9: 1601-1607. DOI: 10.1039/P29770001601  0.417
1977 Poppinger D, Radom L, Pople JA. A theoretical study of the CHNO isomers Journal of the American Chemical Society. 99: 7806-7816. DOI: 10.1021/Ja00466A010  0.351
1977 John I, Radom L. Molecular conformations of methyl formate and methyl vinyl ether from ab initio molecular orbital calculations Journal of Molecular Structure. 36: 133-147. DOI: 10.1016/0022-2860(77)85014-X  0.358
1977 John IG, Radom L. Molecular conformations of formic anhydride and divinyl ether an ab initio molecular orbital study Journal of Molecular Structure. 39: 281-293. DOI: 10.1002/Chin.197740061  0.352
1977 Gregory AR, Paddon-Row MN, Radom L, Stohrer W-. Bond-Stretch Isomerism In (2,2,2)Propellanes Cheminform. 8. DOI: 10.1002/Chin.197727074  0.308
1976 Aroney M, Bruce E, John I, Radom L, Ritchie G. Conformations of Vinyl Formate and Vinyl Acetate Australian Journal of Chemistry. 29: 581-587. DOI: 10.1071/Ch9760581  0.37
1976 Paddon-Row MN, Radom L, Gregory AR. 1-Aza-4-boratricyclo[2.2.2.01,4]octane and 1-aza-4-borabicyclo[2.2.2]octane: stable bond-stretch isomers? an ab initio study Journal of the Chemical Society, Chemical Communications. 427-429. DOI: 10.1039/C39760000427  0.404
1976 Hehre WJ, Pople JA, Lathan WA, Radom L, Wasserman E, Wasserman ZR. Molecular orbital theory of the electronic structure of organic compounds. 28. Geometries and energies of singlet and triplet states of the C3H2 hydrocarbons Journal of the American Chemical Society. 98: 4378-4383. DOI: 10.1021/Ja00431A005  0.653
1976 Collins JB, Schleyer PvR, Binkley JS, Pople JA, Radom L. Molecular orbital theory of the electronic structure of molecules. 29. The interaction of molecular hydrogen with simple Lewis acids Journal of the American Chemical Society. 98: 3436-3441. DOI: 10.1021/Ja00428A007  0.642
1976 Radom L, Hariharan PC, Pople JA, Schleyer PvR. Molecular orbital theory of the electronic structure of organic compounds. XXII. Structures and stabilities of C3H3+ and C3H+ cations Journal of the American Chemical Society. 98: 10-14. DOI: 10.1021/Ja00417A003  0.637
1975 Craig DP, Radom L, Stiles PJ. Intramolecular Chiral Discrimination Between Meso and d, l Isomers Proceedings of the Royal Society a: Mathematical, Physical and Engineering Sciences. 343: 11-16. DOI: 10.1098/Rspa.1975.0049  0.356
1975 Craig DP, Radom L, Stiles PJ. A pairwise additirvity scheme for conformational energies of substituted ethanes Proceedings of the Royal Society a: Mathematical, Physical and Engineering Sciences. 343: 1-10. DOI: 10.1098/Rspa.1975.0048  0.362
1975 Radom L, Schaefer IH. Theoretical predictions of the molecular structure of sulphur tetrafluoride Australian Journal of Chemistry. 28: 2069. DOI: 10.1071/Ch9752069  0.39
1975 Radom L. Effects of alkyl groups on acidities and basicities in the gas phase. An ab initio molecular orbital study Australian Journal of Chemistry. 28: 1. DOI: 10.1002/Chin.197517092  0.337
1974 Radom L, Paviot J, Pople JA, Schleyer PvR. Rotational barriers in substituted ethyl radicals Journal of the Chemical Society, Chemical Communications. DOI: 10.1039/C3974000058B  0.427
1974 Radom L. Ab initio molecular orbital calculations on anions. Determination of gas phase acidities Journal of the Chemical Society, Chemical Communications. 403-404. DOI: 10.1039/C39740000403  0.336
1974 Radom L, Stiles PJ. An additivity scheme for conformational energies in substituted ethanes Journal of the Chemical Society, Chemical Communications. 190-192. DOI: 10.1039/C39740000190  0.367
1974 Hariharan PC, Radom L, Pople JA, Schleyer PVR. Molecular orbital theory of the electronic structure of organic compounds. XX. Protonated cyclopropane cations with a polarized basis set Journal of the American Chemical Society. 96: 599-601. DOI: 10.1021/Ja00809A055  0.645
1974 Jeffrey GA, Pople JA, Radom L. The application of ab initio molecular orbital theory to structural moieties of carbohydrates Carbohydrate Research. 38: 81-95. DOI: 10.1016/S0008-6215(00)82340-X  0.432
1974 HARIHARAN PC, RADOM L, POPLE JA, SCHLEYER PVR. ChemInform Abstract: MOLECULAR ORBITAL THEORY OF THE ELECTRONIC STRUCTURE OF ORGANIC COMPOUNDS PART 20, C3H7(+) CATIONS WITH A POLARIZED BASIS SET Chemischer Informationsdienst. 5. DOI: 10.1002/Chin.197414112  0.652
1973 Golding BT, Radom L. Facilitation of intramolecular 1,2-shifts in radicals by protonation, and the mechanism of reactions catalysed by 5′-deoxyadenosylcobalamin Journal of the Chemical Society, Chemical Communications. 939-941. DOI: 10.1039/C39730000939  0.399
1973 Radom L, Hariharan PC, Pople JA, Schleyer PVR. Molecular orbital theory of the electronic structure of organic compounds. XIX. Geometries and energies of C3H5 cations. Energy relations among allyl, vinyl, and cyclopropyl cations Journal of the American Chemical Society. 95: 6531-6544. DOI: 10.1021/Ja00801A003  0.66
1973 Lathan WA, Radom L, Hehre WJ, Pople JA. Molecular orbital theory of the electronic structure of organic compounds. XVIII. Conformations and stabilities of trisubstituted methanes Journal of the American Chemical Society. 95: 699-703. DOI: 10.1021/Ja00784A009  0.361
1973 Radom L, Lathan WA, Hehre WJ, Pople JA. Molecular orbital theory of the electronic structure of organic compounds. XVII. Internal rotation in 1,2-disubstituted ethanes Journal of the American Chemical Society. 95: 693-698. DOI: 10.1021/Ja00784A008  0.63
1973 Lathan WA, Radom L, Hariharan PC, Hehre WJ, Pople JA. Structures and stabilities of three-membered rings from ab initio molecular orbital theory Cheminform. 4: 1-45. DOI: 10.1007/3-540-06265-3_14  0.384
1973 RADOM L, LATHAN WA, HEHRE WJ, POPLE JA. ChemInform Abstract: MO-THEORIE DER ELEKTRONENSTRUKTUR ORGANISCHER VERBINDUNGEN 17. MITT. INNERE ROTATION IN 1,2-DISUBSTITUIERTEN AETHANEN 18. MITT. KONFORM. UND STABILITAETEN TRISUBSTITUIERTER METHANE Chemischer Informationsdienst. 4. DOI: 10.1002/Chin.197316077  0.62
1972 Radom L, Lathan W, Hehre W, Pople J. Internal rotation in some organic molecules containing methyl, amino, hydroxyl, and formyl groups Australian Journal of Chemistry. 25: 1601. DOI: 10.1071/Ch9721601  0.716
1972 Hehre WJ, Radom L, Pople JA. Inversion barriers in para-substituted anilines from ab initio molecular orbital theory Journal of the Chemical Society, Chemical Communications. 669-670. DOI: 10.1039/C39720000669  0.751
1972 Radom L, Hehre WJ, Pople JA, Carlson GL, Fateley WG. Torsional barriers in para-substituted phenols from ab initio molecular orbital theory and far infrared spectroscopy Journal of the Chemical Society, Chemical Communications. 308-309. DOI: 10.1039/C39720000308  0.753
1972 Radom L, Pople JA, Schleyer PvR. Molecular orbital theory of the electronic structure of organic compounds. XVI. Conformations and stabilities of substituted ethyl, propyl, and butyl cations Journal of the American Chemical Society. 94: 5935-5945. DOI: 10.1021/Ja00772A001  0.375
1972 Radom L, Hehre WJ, Pople JA. Molecular orbital theory of the electronic structure of organic compounds. XIII. Fourier component analysis of internal rotation potential functions in saturated molecules Journal of the American Chemical Society. 94: 2371-2381. DOI: 10.1021/Ja00762A030  0.347
1972 Hehre WJ, Radom L, Pople JA. Molecular orbital theory of the electronic structure of organic compounds. XII. Conformations, stabilities, and charge distributions in monosubstituted benzenes Journal of the American Chemical Society. 94: 1496-1504. DOI: 10.1021/Ja00760A011  0.34
1972 Radom L, Pople JA, Buss V, Schleyer PvR. Molecular orbital theory of the electronic structure of organic compounds. XI. Geometries and energies of C3H7+cations Journal of the American Chemical Society. 94: 311-321. DOI: 10.1021/Ja00757A001  0.657
1972 Radom L, Pople JA, Mock WL. Distortion of the double bond in ethylene Tetrahedron Letters. 13: 479-482. DOI: 10.1016/S0040-4039(01)84355-0  0.607
1972 Jeffrey GA, Pople JA, Radom L. The application of ab initio molecular orbital theory to the anomeric effect. A comparison of theoretical predictions and experimental data on conformations and bond lengths in some pyranoses and methyl pyranosides Carbohydrate Research. 25: 117-131. DOI: 10.1016/S0008-6215(00)82752-4  0.664
1972 HOFFMAN R, RADOM L, POPLE JA, R. SCHLEYER PV, HEHRE WJ, SALEM L. ChemInform Abstract: STARKER EINFLUSS DER HYPERKONJUGATION AUF DIE KONFORM. Chemischer Informationsdienst. 3: no-no. DOI: 10.1002/Chin.197245095  0.574
1972 RADOM L, POPLE JA, R. SCHLEYER PV. ChemInform Abstract: MO-THEORIE DER ELEKTRONENSTRUKTUR ORGANISCHER VERBINDUNGEN 16. MITT. KONFORM. UND STABILITAETEN SUBSTITUIERTER AETHYL-, PROPYL- UND BUTYLKATIONEN Chemischer Informationsdienst. 3. DOI: 10.1002/Chin.197245091  0.614
1972 RADOM L, HEHRE WJ, POPLE JA. ChemInform Abstract: MO-THEORIE DER ELEKTRONENSTRUKTUR VON ORGANISCHEN VERBINDUNGEN 13. MITT. FOURIER-KOMPONENTEN-ANALYSE VON POTENTIALFUNKTIONEN DER INNEREN ROTATION IN GESAETTIGTEN MOLEKUELEN Chemischer Informationsdienst. 3: no-no. DOI: 10.1002/Chin.197226088  0.615
1972 HEHRE WJ, RADOM L, POPLE JA. ChemInform Abstract: MO-THEORIE DER ELEKTRONENSTRUKTUR VON ORGANISCHEN VERBINDUNGEN 12. MITT. KONFORM., STABILITAETEN UND LADUNGSVERTEILUNGEN VON 35 MONOSUBSTITUIERTEN BENZOLEN Chemischer Informationsdienst. 3: no-no. DOI: 10.1002/Chin.197221096  0.611
1972 RADOM L, POPLE JA, BUSS V, R. SCHLEYER PV. ChemInform Abstract: MO-THEORIE DER ELEKTRONENSTRUKTUR ORGANISCHER VERBINDUNGEN 11. MITT. GEOMETRIEN UND ENERGIEN VON C3H7(+)-KATIONEN Chemischer Informationsdienst. 3. DOI: 10.1002/Chin.197214084  0.621
1971 Hopkins PA, Fèvre RJWL, Radom L, Ritchie GLD. Molecular polarisability. Association of some aromatic aldehydes and ketones with benzene Journal of the Chemical Society B: Physical Organic. 574-576. DOI: 10.1039/J29710000574  0.309
1971 Radom L, Hehre WJ, Pople JA. Conformations and heats of formation of organic molecules by use of a minimal slater type basis Journal of the Chemical Society a: Inorganic, Physical, and Theoretical Chemistry. 2299-2303. DOI: 10.1039/J19710002299  0.75
1971 Radom L, Lathan WA, Hehre WJ, Pople JA. Molecular orbital theory of the electronic structure of organic compounds. VIII. Geometries, energies, and polarities of C3 hydrocarbons Journal of the American Chemical Society. 93: 5339-5342. DOI: 10.1021/ja00750a005  0.608
1971 Pople JA, Radom L, Buss V, Schleyer PvR. Structures and relative stabilities of C3H7+ cations Journal of the American Chemical Society. 93: 1813-1815. DOI: 10.1021/Ja00736A059  0.608
1971 Pople JA, Radom L, Hehre WJ. Molecular orbital theory of the electronic structure of organic compounds. VII. Systematic study of energies, conformations, and bond interactions Journal of the American Chemical Society. 93: 289-300. DOI: 10.1021/Ja00731A001  0.656
1971 RADOM L, LATHAN WA, HEHRE WJ, POPLE JA. ChemInform Abstract: MO-THEORIE DER ELEKTRONENSTRUKTUR ORGANISCHER VERBINDUNGEN 8. MITT. GEOMETRIEN, ENERGIEN UND POLARITAETEN VON C3-KOHLENWASSERSTOFFEN Chemischer Informationsdienst. Organische Chemie. 2: no-no. DOI: 10.1002/Chin.197152106  0.605
1971 RADOM L, HEHRE WJ, POPLE JA. ChemInform Abstract: BESTIMMUNG DER KONFORMATIONEN UND BLDG.-WAERMEN ORGANISCHER MOLEKUELE DURCH VERWENDUNG EINER MINIMAL-BASIS VOM SLATER-TYP Chemischer Informationsdienst. Organische Chemie. 2: no-no. DOI: 10.1002/Chin.197146091  0.602
1971 RADOM L, POPLE JA, BUSS V, R. SCHLEYER PV. ChemInform Abstract: STRUKTUREN UND RELATIVE STABILITAETEN VON C3H7(+)-KATIONEN Chemischer Informationsdienst. Organische Chemie. 2: no-no. DOI: 10.1002/Chin.197126081  0.595
1971 RADOM L, HEHRE WJ, POPLE JA. ChemInform Abstract: MO-THEORIE DER ELEKTRONENSTRUKTUR ORGANISCHER VERBINDUNGEN 7. MITT. SYSTEMATISCHE UNTERSUCHUNG VON ENERGIEN, KONFORMATIONEN UND BINDUNGSWECHSELWIRKUNGEN Chemischer Informationsdienst. Organische Chemie. 2: no-no. DOI: 10.1002/Chin.197114124  0.612
1971 Radom L, Pople JA, Buss V, Schleyer PVR. Rotationsbarrieren In Propyl-(1)-Kationen Cheminform. 2. DOI: 10.1002/Chin.197106092  0.581
1971 RADOM L, POPLE JA, BUSS V, R. SCHLEYER PV. ChemInform Abstract: ROTATIONSBARRIEREN DER ALKYLKATIONEN (I) UND (II) (AB INITIO-BERECHNUNG MIT STO-3G-BASISSAETZEN) Chemischer Informationsdienst. Organische Chemie. 2: no-no. DOI: 10.1002/Chin.197101154  0.598
1970 Pople JA, Radom L, Buss V, Schleyer PVR. Rotational barriers of alkyl cations Journal of the American Chemical Society. 92: 6380-6382. DOI: 10.1021/Ja00724A070  0.303
1970 Hehre WJ, Ditchfield R, Radom L, Pople JA. Molecular orbital theory of the electronic structure of organic compounds. V. Molecular theory of bond separation Journal of the American Chemical Society. 92: 4796-4801. DOI: 10.1021/Ja00719A006  0.664
1970 Radom L, Pople JA. Molecular orbital theory of the electronic structure of organic compounds. IV. Internal rotation in hydrocarbons using a minimal Slater-type basis Journal of the American Chemical Society. 92: 4786-4795. DOI: 10.1021/Ja00719A005  0.631
1970 Ditchfield R, Hehre WJ, Pople JA, Radom L. Molecular orbital theory of bond separation Chemical Physics Letters. 5: 13-14. DOI: 10.1016/0009-2614(70)80116-6  0.812
1970 RADOM L, POPLE JA, HEHRE WJ, DITCHFIELD R. ChemInform Abstract: MO-THEORIE DER ELEKTRONENSTRUKTUR ORGANISCHER VERBINDUNGEN 4. MITT. INNERE ROTATION IN KOHLENWASSERSTOFFEN MITTELS EINER MINIMAL-BASIS VOM SLATER-TYP 5. MITT. MO-THEORIE DER BINDUNGSTRENNUNG Chemischer Informationsdienst. Organische Chemie. 1: no-no. DOI: 10.1002/Chin.197044100  0.739
1967 Le Fèvre RJW, Radom L. Molecular polarisability. Carbon-carbon bond polarisabilities in relation to bond lengths Journal of the Chemical Society B: Physical Organic. 1295-1298. DOI: 10.1039/J29670001295  0.322
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