Jan M.L. Martin, Ph.D. - Publications

Affiliations: 
1996- Organic Chemistry Weizmann Institute of Science, Rehovot, Israel 
Area:
Computational quantum chemistry
Website:
http://www.compchem.me

106 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
2016 Sylvetsky N, Peterson KA, Karton A, Martin JM. Toward a W4-F12 approach: Can explicitly correlated and orbital-based ab initio CCSD(T) limits be reconciled? The Journal of Chemical Physics. 144: 214101. PMID 27276939 DOI: 10.1063/1.4952410  0.632
2016 Brauer B, Kesharwani MK, Kozuch S, Martin JM. The S66x8 benchmark for noncovalent interactions revisited: explicitly correlated ab initio methods and density functional theory. Physical Chemistry Chemical Physics : Pccp. PMID 26950084 DOI: 10.1039/C6Cp00688D  0.768
2015 Liakos DG, Sparta M, Kesharwani MK, Martin JM, Neese F. Exploring the Accuracy Limits of Local Pair Natural Orbital Coupled-Cluster Theory. Journal of Chemical Theory and Computation. 11: 1525-39. PMID 26889511 DOI: 10.1021/Ct501129S  0.411
2015 Manna D, Martin JM. What Are the Ground State Structures of C20 and C24? An Explicitly Correlated Ab Initio Approach. The Journal of Physical Chemistry. A. PMID 26654916 DOI: 10.1021/Acs.Jpca.5B10266  0.429
2015 Kesharwani MK, Karton A, Martin JM. Benchmark ab initio conformational energies for the proteinogenic amino acids through explicitly correlated methods. Assessment of density functional methods. Journal of Chemical Theory and Computation. PMID 26653705 DOI: 10.1021/Acs.Jctc.5B01066  0.641
2015 Kesharwani MK, Kozuch S, Martin JM. Comment on "Doubly hybrid density functional xDH-PBE0 from a parameter-free global hybrid model PBE0" [J. Chem. Phys. 136, 174103 (2012)]. The Journal of Chemical Physics. 143: 187101. PMID 26567688 DOI: 10.1063/1.4934819  0.746
2015 Karton A, Schreiner PR, Martin JM. Heats of formation of platonic hydrocarbon cages by means of high-level thermochemical procedures. Journal of Computational Chemistry. PMID 26096132 DOI: 10.1002/Jcc.23963  0.62
2015 Fogler E, Efremenko I, Gargir M, Leitus G, Diskin-Posner Y, Ben-David Y, Martin JM, Milstein D. New ruthenium nitrosyl pincer complexes bearing an O2 ligand. Mono-oxygen transfer. Inorganic Chemistry. 54: 2253-63. PMID 25695626 DOI: 10.1021/Ic502832J  0.514
2015 Kesharwani MK, Brauer B, Martin JM. Frequency and zero-point vibrational energy scale factors for double-hybrid density functionals (and other selected methods): can anharmonic force fields be avoided? The Journal of Physical Chemistry. A. 119: 1701-14. PMID 25296165 DOI: 10.1021/Jp508422U  0.361
2014 Brauer B, Kesharwani MK, Martin JM. Some Observations on Counterpoise Corrections for Explicitly Correlated Calculations on Noncovalent Interactions. Journal of Chemical Theory and Computation. 10: 3791-9. PMID 26588524 DOI: 10.1021/Ct500513B  0.37
2014 Martin JM, Kesharwani MK. Assessment of CCSD(T)-F12 Approximations and Basis Sets for Harmonic Vibrational Frequencies. Journal of Chemical Theory and Computation. 10: 2085-90. PMID 26580535 DOI: 10.1021/Ct500174Q  0.302
2014 Wann DA, Rankin DW, McCaffrey PD, Martin JM, Mawhorter RJ. Equilibrium gas-phase structures of sodium fluoride, bromide, and iodide monomers and dimers. The Journal of Physical Chemistry. A. 118: 1927-35. PMID 24552540 DOI: 10.1021/Jp411202T  0.328
2014 Kozuch S, Bachrach SM, Martin JM. Conformational equilibria in butane-1,4-diol: a benchmark of a prototypical system with strong intramolecular H-bonds. The Journal of Physical Chemistry. A. 118: 293-303. PMID 24328111 DOI: 10.1021/Jp410723V  0.762
2013 Kozuch S, Martin JM. Halogen Bonds: Benchmarks and Theoretical Analysis. Journal of Chemical Theory and Computation. 9: 1918-31. PMID 26583543 DOI: 10.1021/Ct301064T  0.763
2013 Khenkin AM, Efremenko I, Martin JM, Neumann R. Polyoxometalate-catalyzed insertion of oxygen from O(2) into tin-alkyl bonds. Journal of the American Chemical Society. 135: 19304-10. PMID 24313591 DOI: 10.1021/Ja409559H  0.522
2013 Kozuch S, Martin JM. Spin-component-scaled double hybrids: An extensive search for the best fifth-rung functionals blending DFT and perturbation theory. Journal of Computational Chemistry. 34: 2327-44. PMID 23983204 DOI: 10.1002/Jcc.23391  0.742
2013 Martin JM. What can we learn about dispersion from the conformer surface of n-pentane? The Journal of Physical Chemistry. A. 117: 3118-32. PMID 23452230 DOI: 10.1021/Jp401429U  0.365
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  0.635
2013 Fogueri UR, Kozuch S, Karton A, Martin JM. The melatonin conformer space: benchmark and assessment of wave function and DFT methods for a paradigmatic biological and pharmacological molecule. The Journal of Physical Chemistry. A. 117: 2269-77. PMID 23379303 DOI: 10.1021/Jp312644T  0.796
2013 Martin JM. The eight-valence-electron systems re-examined: convergence of the coupled-cluster series and performance of quasiperturbative methods for quadruple excitations Molecular Physics. 112: 785-793. DOI: 10.1080/00268976.2013.861526  0.362
2012 Karton A, Martin JM. Comment on "Revised electron affinity of SF6 from kinetic data" [J. Chem. Phys. 136, 121102 (2012)]. The Journal of Chemical Physics. 136: 197101. PMID 22612114 DOI: 10.1063/1.4719180  0.595
2012 Karton A, Martin JM. Explicitly correlated Wn theory: W1-F12 and W2-F12. The Journal of Chemical Physics. 136: 124114. PMID 22462842 DOI: 10.1063/1.3697678  0.564
2012 Yeung LY, Okumura M, Zhang J, Minton TK, Paci JT, Karton A, Martin JM, Camden JP, Schatz GC. O(3P) + CO2 collisions at hyperthermal energies: dynamics of nonreactive scattering, oxygen isotope exchange, and oxygen-atom abstraction. The Journal of Physical Chemistry. A. 116: 64-84. PMID 22185296 DOI: 10.1021/Jp2080379  0.629
2011 Karton A, Martin JM. Basis set convergence of explicitly correlated double-hybrid density functional theory calculations. The Journal of Chemical Physics. 135: 144119. PMID 22010710 DOI: 10.1063/1.3647980  0.624
2011 Kozuch S, Martin JM. DSD-PBEP86: in search of the best double-hybrid DFT with spin-component scaled MP2 and dispersion corrections. Physical Chemistry Chemical Physics : Pccp. 13: 20104-7. PMID 21993810 DOI: 10.1039/C1Cp22592H  0.725
2011 Kozuch S, Martin JM. The rate-determining step is dead. Long live the rate-determining state! Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry. 12: 1413-8. PMID 21523880 DOI: 10.1002/Cphc.201100137  0.692
2011 Kozuch S, Martin JM. What makes for a good catalytic cycle? A theoretical study of the SPhos ligand in the Suzuki-Miyaura reaction. Chemical Communications (Cambridge, England). 47: 4935-7. PMID 21442112 DOI: 10.1039/C1Cc10717H  0.72
2010 Karton A, Martin JM. Performance of W4 theory for spectroscopic constants and electrical properties of small molecules. The Journal of Chemical Physics. 133: 144102. PMID 20949982 DOI: 10.1063/1.3489113  0.547
2010 Efremenko I, Poverenov E, Martin JM, Milstein D. DFT study of the structure and reactivity of the terminal Pt(IV)-oxo complex bearing no electron-withdrawing ligands. Journal of the American Chemical Society. 132: 14886-900. PMID 20879796 DOI: 10.1021/Ja105197X  0.54
2010 Hioe J, Karton A, Martin JM, Zipse H. Borane-lewis base complexes as homolytic hydrogen atom donors. Chemistry (Weinheim An Der Bergstrasse, Germany). 16: 6861-5. PMID 20449854 DOI: 10.1002/Chem.200903395  0.618
2010 Khenkin AM, Efremenko I, Weiner L, Martin JM, Neumann R. Photochemical reduction of carbon dioxide catalyzed by a ruthenium-substituted polyoxometalate. Chemistry (Weinheim An Der Bergstrasse, Germany). 16: 1356-64. PMID 20013770 DOI: 10.1002/Chem.200901673  0.544
2010 Montag M, Efremenko I, Cohen R, Shimon LJ, Leitus G, Diskin-Posner Y, Ben-David Y, Salem H, Martin JM, Milstein D. Effect of CO on the oxidative addition of arene C-H bonds by cationic rhodium complexes. Chemistry (Weinheim An Der Bergstrasse, Germany). 16: 328-53. PMID 19918810 DOI: 10.1002/Chem.200901526  0.499
2010 Ansbacher T, Srivastava HK, Martin JM, Shurki A. Can DFT methods correctly and efficiently predict the coordination number of copper(I) complexes? A case study. Journal of Computational Chemistry. 31: 75-83. PMID 19412907 DOI: 10.1002/Jcc.21277  0.39
2010 Hioe J, Karton A, Martin J, Zipse H. Corrigendum: Borane-Lewis Base Complexes as Homolytic Hydrogen Atom Donors Chemistry - a European Journal. 16: 6722-6722. DOI: 10.1002/Chem.201090111  0.555
2009 Barnes EC, Petersson GA, Montgomery JA, Frisch MJ, Martin JM. Unrestricted Coupled Cluster and Brueckner Doubles Variations of W1 Theory. Journal of Chemical Theory and Computation. 5: 2687-93. PMID 26631782 DOI: 10.1021/Ct900260G  0.365
2009 Gruzman D, Karton A, Martin JM. Performance of ab initio and density functional methods for conformational equilibria of C(n)H(2n+2) alkane isomers (n = 4-8). The Journal of Physical Chemistry. A. 113: 11974-83. PMID 19795892 DOI: 10.1021/Jp903640H  0.632
2009 Zenkina OV, Karton A, Shimon LJ, Martin JM, van der Boom ME. A coordination controlled aryl-halide oxidative addition to platinum. Chemistry (Weinheim An Der Bergstrasse, Germany). 15: 10025-8. PMID 19731275 DOI: 10.1002/Chem.200901781  0.522
2009 Efremenko I, Top S, Martin JM, Fish RH. A DFT study on the mechanism of a novel, regioselective, intramolecular N-pi rearrangement of cis and trans-eta1-N-Cp*Rh-hydroxytamoxifen complexes to their eta6 derivatives; potential breast cancer pharmaceuticals, and fluorescent probes. Dalton Transactions (Cambridge, England : 2003). 4334-43. PMID 19662311 DOI: 10.1039/B819474B  0.33
2009 Karton A, Gruzman D, Martin JM. Benchmark thermochemistry of the C(n)H(2n+2) alkane isomers (n = 2-8) and performance of DFT and composite ab initio methods for dispersion-driven isomeric equilibria. The Journal of Physical Chemistry. A. 113: 8434-47. PMID 19569667 DOI: 10.1021/Jp904369H  0.582
2009 Karton A, Kaminker I, Martin JM. Economical post-CCSD(T) computational thermochemistry protocol and applications to some aromatic compounds. The Journal of Physical Chemistry. A. 113: 7610-20. PMID 19265420 DOI: 10.1021/Jp900056W  0.604
2009 Karton A, Parthiban S, Martin JM. Post-CCSD(T) ab initio thermochemistry of halogen oxides and related hydrides XOX, XOOX, HOX, XOn, and HXOn (X = F, Cl), and evaluation of DFT methods for these systems. The Journal of Physical Chemistry. A. 113: 4802-16. PMID 19159205 DOI: 10.1021/Jp8087435  0.616
2008 Karton A, Tarnopolsky A, Lamère JF, Schatz GC, Martin JM. Highly accurate first-principles benchmark data sets for the parametrization and validation of density functional and other approximate methods. Derivation of a robust, generally applicable, double-hybrid functional for thermochemistry and thermochemical kinetics. The Journal of Physical Chemistry. A. 112: 12868-86. PMID 18714947 DOI: 10.1021/Jp801805P  0.698
2008 Montag M, Efremenko I, Cohen R, Leitus G, Shimon LJ, Diskin-Posner Y, Ben-David Y, Martin JM, Milstein D. The impact of weak C-H...Rh interactions on the structure and reactivity of trans-[Rh(CO)2(phosphine)2]+: an experimental and theoretical examination. Chemistry (Weinheim An Der Bergstrasse, Germany). 14: 8183-94. PMID 18698575 DOI: 10.1002/Chem.200801171  0.527
2008 Zenkina OV, Karton A, Freeman D, Shimon LJ, Martin JM, van der Boom ME. Directing aryl-I versus Aryl-Br bond activation by nickel via a ring walking process. Inorganic Chemistry. 47: 5114-21. PMID 18484721 DOI: 10.1021/Ic702289N  0.616
2008 Levi C, Martin JM, Bar I. Fundamental vibrational frequencies and dominant resonances in methylamine isotopologues by ab initio and density functional theory methods. Journal of Computational Chemistry. 29: 1268-76. PMID 18161681 DOI: 10.1002/Jcc.20885  0.386
2008 Tarnopolsky A, Karton A, Sertchook R, Vuzman D, Martin JM. Double-hybrid functionals for thermochemical kinetics. The Journal of Physical Chemistry. A. 112: 3-8. PMID 18081266 DOI: 10.1021/Jp710179R  0.592
2007 Raitsimring AM, Gunanathan C, Potapov A, Efremenko I, Martin JM, Milstein D, Goldfarb D. Gd3+ complexes as potential spin labels for high field pulsed EPR distance measurements. Journal of the American Chemical Society. 129: 14138-9. PMID 17963387 DOI: 10.1021/Ja075544G  0.489
2007 Boese AD, Martin JM, Klopper W. Basis set limit coupled cluster study of h-bonded systems and assessment of more approximate methods. The Journal of Physical Chemistry. A. 111: 11122-33. PMID 17929777 DOI: 10.1021/Jp072431A  0.665
2007 Karton A, Taylor PR, Martin JM. Basis set convergence of post-CCSD contributions to molecular atomization energies. The Journal of Chemical Physics. 127: 064104. PMID 17705585 DOI: 10.1063/1.2755751  0.68
2007 Karton A, Martin JM. Heats of formation of beryllium, boron, aluminum, and silicon re-examined by means of W4 theory. The Journal of Physical Chemistry. A. 111: 5936-44. PMID 17567115 DOI: 10.1021/Jp071690X  0.583
2007 Guliamov O, Kronik L, Martin JM. Polarizability of small carbon cluster anions from first principles. The Journal of Physical Chemistry. A. 111: 2028-32. PMID 17388282 DOI: 10.1021/Jp068443Y  0.394
2007 Montag M, Schwartsburd L, Cohen R, Leitus G, Ben-David Y, Martin JM, Milstein D. The unexpected role of CO in C--H oxidative addition by a cationic rhodium(I) complex. Angewandte Chemie (International Ed. in English). 46: 1901-4. PMID 17274087 DOI: 10.1002/Anie.200604357  0.542
2007 Lo HC, Iron MA, Martin JM, Keinan E. Proton walk in the aqueous platinum complex [TpPtMeCO] via a sticky sigma-methane ligand. Chemistry (Weinheim An Der Bergstrasse, Germany). 13: 2812-23. PMID 17236226 DOI: 10.1002/Chem.200600709  0.637
2006 Karton A, Martin JM. The lowest singlet-triplet excitation energy of BN: A converged coupled cluster perspective. The Journal of Chemical Physics. 125: 144313. PMID 17042596 DOI: 10.1063/1.2352752  0.598
2006 Karton A, Rabinovich E, Martin JM, Ruscic B. W4 theory for computational thermochemistry: In pursuit of confident sub-kJ/mol predictions. The Journal of Chemical Physics. 125: 144108. PMID 17042580 DOI: 10.1063/1.2348881  0.618
2006 Feller M, Karton A, Leitus G, Martin JM, Milstein D. Selective sp3 C-H activation of ketones at the beta position by Ir(I). Origin of regioselectivity and water effect. Journal of the American Chemical Society. 128: 12400-1. PMID 16984174 DOI: 10.1021/Ja0641352  0.666
2006 Sertchook R, Boese AD, Martin JM. Rozen's epoxidation reagent, CH3CN.HOF: a theoretical study of its structure, vibrational spectroscopy, and reaction mechanism. The Journal of Physical Chemistry. A. 110: 8275-81. PMID 16821811 DOI: 10.1021/Jp055487I  0.65
2006 Quintal MM, Karton A, Iron MA, Boese AD, Martin JM. Benchmark study of DFT functionals for late-transition-metal reactions. The Journal of Physical Chemistry. A. 110: 709-16. PMID 16405344 DOI: 10.1021/Jp054449W  0.776
2006 Martin JM. Heats of formation of perchloric acid, HClO4, and perchloric anhydride, Cl2O7. Probing the limits of W1 and W2 theory Journal of Molecular Structure: Theochem. 771: 19-26. DOI: 10.1016/J.Theochem.2006.03.035  0.401
2005 Karton A, Iron MA, van der Boom ME, Martin JM. NLO properties of metallabenzene-based chromophores: a time-dependent density functional study. The Journal of Physical Chemistry. A. 109: 5454-62. PMID 16839073 DOI: 10.1021/Jp0443456  0.719
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  0.516
2005 Strawser D, Karton A, Zenkina OV, Iron MA, Shimon LJ, Martin JM, van der Boom ME. Platinum stilbazoles: ring-walking coupled with aryl-halide bond activation. Journal of the American Chemical Society. 127: 9322-3. PMID 15984831 DOI: 10.1021/Ja050613H  0.728
2005 Kossoy E, Iron MA, Rybtchinski B, Ben-David Y, Shimon LJ, Konstantinovski L, Martin JM, Milstein D. Pi-accepting-pincer rhodium complexes: an unusual coordination mode of PCP-type systems. Chemistry (Weinheim An Der Bergstrasse, Germany). 11: 2319-26. PMID 15643661 DOI: 10.1002/Chem.200401116  0.676
2004 Cohen R, Graves CR, Nguyen ST, Martin JM, Ratner MA. The mechanism of aluminum-catalyzed Meerwein-Schmidt-Ponndorf-Verley reduction of carbonyls to alcohols. Journal of the American Chemical Society. 126: 14796-803. PMID 15535705 DOI: 10.1021/Ja047613M  0.383
2004 Iron MA, Lucassen AC, Cohen H, van der Boom ME, Martin JM. A computational foray into the formation and reactivity of metallabenzenes. Journal of the American Chemical Society. 126: 11699-710. PMID 15366918 DOI: 10.1021/Ja047125E  0.632
2004 Boese AD, Martin JM. Development of density functionals for thermochemical kinetics. The Journal of Chemical Physics. 121: 3405-16. PMID 15303903 DOI: 10.1063/1.1774975  0.631
2004 Boese AD, Oren M, Atasoylu O, Martin JM, Kallay M, Gauss J. W3 theory: robust computational thermochemistry in the kJ/mol accuracy range. The Journal of Chemical Physics. 120: 4129-41. PMID 15268579 DOI: 10.1063/1.1638736  0.643
2003 Iron MA, Sundermann A, Martin JM. Catalytic reduction of acetone by [(bpy)Rh]+: a theoretical mechanistic investigation and insight into cooperativity effects in this system. Journal of the American Chemical Society. 125: 11430-41. PMID 16220966 DOI: 10.1021/Ja028489E  0.651
2003 Iron MA, Martin JM, van der Boom ME. Metallabenzene versus Cp complex formation: a DFT investigation. Journal of the American Chemical Society. 125: 13020-1. PMID 14570463 DOI: 10.1021/Ja037983V  0.635
2003 Iron MA, Martin JM, van der Boom ME. Cycloaddition reactions of metalloaromatic complexes of iridium and rhodium: a mechanistic DFT investigation. Journal of the American Chemical Society. 125: 11702-9. PMID 13129375 DOI: 10.1021/Ja036723A  0.649
2003 Rybtchinski B, Cohen R, Ben-David Y, Martin JM, Milstein D. Aromatic vs aliphatic C-H bond activation by rhodium(I) as a function of agostic interactions: catalytic H/D exchange between olefins and methanol or water. Journal of the American Chemical Society. 125: 11041-50. PMID 12952486 DOI: 10.1021/Ja029197G  0.509
2003 Cohen R, Rybtchinski B, Gandelman M, Rozenberg H, Martin JM, Milstein D. Metallacarbenes from diazoalkanes: an experimental and computational study of the reaction mechanism. Journal of the American Chemical Society. 125: 6532-46. PMID 12785793 DOI: 10.1021/Ja028923C  0.54
2003 Cohen R, Rybtchinski B, Gandelman M, Shimon LJ, Martin JM, Milstein D. Novel azine reactivity: facile N-N bond cleavage, C-H activation, and N-N coupling mediated by RhI. Angewandte Chemie (International Ed. in English). 42: 1949-52. PMID 12730978 DOI: 10.1002/Anie.200250571  0.463
2003 Iron MA, Martin JM, van der Boom ME. Mechanistic aspects of acetone addition to metalloaromatic complexes of iridium: a DFT investigation. Chemical Communications (Cambridge, England). 132-3. PMID 12611001 DOI: 10.1039/B210622A  0.631
2003 De Proft F, Vivas-Reyes R, Biesemans M, Willem R, Martin J, Geerlings P. Density Functional Study of the Complexation Reaction of Sn(CH3)3X (X = F, Cl, Br and I) with Halide Anions European Journal of Inorganic Chemistry. 2003: 3803-3810. DOI: 10.1002/Ejic.200300044  0.411
2001 Rybtchinski B, Oevers S, Montag M, Vigalok A, Rozenberg H, Martin JM, Milstein D. Comparison of steric and electronic requirements for C-C and C-H bond activation. Chelating vs nonchelating case. Journal of the American Chemical Society. 123: 9064-77. PMID 11552814 DOI: 10.1021/Ja016126T  0.526
2001 Sundermann A, Uzan O, Martin JM. Computational study of a new heck reaction mechanism catalyzed by palladium(II/IV) species. Chemistry (Weinheim An Der Bergstrasse, Germany). 7: 1703-11. PMID 11349911 DOI: 10.1002/1521-3765(20010417)7:8<1703::Aid-Chem17030>3.0.Co;2-K  0.384
2001 Martin JM, Bauschlicher CW, Ricca A. On the integration accuracy in molecular density functional theory calculations using Gaussian basis sets Computer Physics Communications. 133: 189-201. DOI: 10.1016/S0010-4655(00)00174-0  0.372
1999 Martin JM. Heat of atomization of sulfur trioxide, SO3: a benchmark for computational thermochemistry Chemical Physics Letters. 310: 271-276. DOI: 10.1016/S0009-2614(99)00749-6  0.412
1999 Martin JM. The ground-state spectroscopic constants of Be2 revisited Chemical Physics Letters. 303: 399-407. DOI: 10.1016/S0009-2614(99)00214-6  0.335
1998 Martin JM. Spectroscopic quality ab initio potential curves for CH, NH, OH and HF. A convergence study Chemical Physics Letters. 292: 411-420. DOI: 10.1016/S0009-2614(98)00683-6  0.359
1998 Uzan O, Martin JM. Can SiO bonds be stabilized by Rh/Ir complexes? Chemical Physics Letters. 290: 535-542. DOI: 10.1016/S0009-2614(98)00527-2  0.385
1998 Uzan O, Gozin Y, Martin JM. Modeling stabilization of SiO bonds by Pd/Pt complexes using density functional theory Chemical Physics Letters. 288: 356-362. DOI: 10.1016/S0009-2614(98)00293-0  0.355
1998 Martin JM. Benchmark ab initio potential curves for the light diatomic hydrides. Unusually large nonadiabatic effects in BeH and BH Chemical Physics Letters. 283: 283-293. DOI: 10.1016/S0009-2614(97)01400-0  0.359
1998 Martin JM, Uzan O. Basis set convergence in second-row compounds. The importance of core polarization functions Chemical Physics Letters. 282: 16-24. DOI: 10.1016/S0009-2614(97)01128-7  0.33
1997 Martin JM, Taylor PR. Accurate ab initio quartic force field for trans-HNNH and treatment of resonance polyads Spectrochimica Acta Part a: Molecular and Biomolecular Spectroscopy. 53: 1039-1050. DOI: 10.1016/S1386-1425(96)01869-0  0.493
1997 Ling Y, Martin JM, Lifshitz C. Time-dependent mass spectra and breakdown graphs. 20. Bromoanthracene. Heat of formation of the anthracenyl ion International Journal of Mass Spectrometry and Ion Processes. 160: 39-48. DOI: 10.1016/S0168-1176(96)04484-9  0.577
1997 Martin JM, Warshawsky A, Breskin A, Chechik R. Designing low-ionization potential analogs of tetrakis-dimethylamino-ethylene using density functional calculations Chemical Physics Letters. 279: 389-395. DOI: 10.1016/S0009-2614(97)01042-7  0.334
1997 Martin JM, Taylor PR, Lee TJ. The harmonic frequencies of benzene. A case for atomic natural orbital basis sets Chemical Physics Letters. 275: 414-422. DOI: 10.1016/S0009-2614(97)00735-5  0.611
1997 Martin JM. Benchmark ab initio calculations of the total atomization energies of the first-row hydrides AHn (A = LiF) Chemical Physics Letters. 273: 98-106. DOI: 10.1016/S0009-2614(97)00538-1  0.398
1996 Martin JM, El-Yazal J, François J. Structure and relative energetics of C2n+1 (n = 2−7) carbon clusters using coupled cluster and hybrid density functional methods Chemical Physics Letters. 252: 9-18. DOI: 10.1016/S0009-2614(96)00180-7  0.333
1996 Martin JM. The vibrational spectra of corannulene and coronene. A density functional study Chemical Physics Letters. 262: 97-104. DOI: 10.1016/0009-2614(96)01053-6  0.347
1996 Martin JM. The total atomization energy and heat of formation of HCN(g) Chemical Physics Letters. 259: 679-682. DOI: 10.1016/0009-2614(96)00899-8  0.347
1996 Martin JM. Ab initio total atomization energies of small molecules — towards the basis set limit Chemical Physics Letters. 259: 669-678. DOI: 10.1016/0009-2614(96)00898-6  0.401
1996 Martin JM, Lee TJ. Accurate ab initio quartic force field and vibrational frequencies of the NH4+ ion and its deuterated forms Chemical Physics Letters. 258: 129-135. DOI: 10.1016/0009-2614(96)00679-3  0.496
1996 Martin JM, Lee TJ. The atomization energy and proton affinity of NH3. An ab initio calibration study Chemical Physics Letters. 258: 136-143. DOI: 10.1016/0009-2614(96)00658-6  0.549
1996 De Proft F, Martin JM, Geerlings P. Calculation of molecular electrostatic potentials and Fukui functions using density functional methods Chemical Physics Letters. 256: 400-408. DOI: 10.1016/0009-2614(96)00469-1  0.384
1996 Cai Z, Martin J, François J, Gijbels R. Ab initio study of the X2Σ+ and A2Π states of the SiN radical Chemical Physics Letters. 252: 398-404. DOI: 10.1016/0009-2614(96)00183-2  0.378
1996 De Proft F, Martin JM, Geerlings P. On the performance of density functional methods for describing atomic populations, dipole moments and infrared intensities Chemical Physics Letters. 250: 393-401. DOI: 10.1016/0009-2614(96)00057-7  0.379
1996 Martin JM, Taylor PR. The geometry, vibrational frequencies, and total atomization energy of ethylene. A calibration study Chemical Physics Letters. 248: 336-344. DOI: 10.1016/0009-2614(95)01353-9  0.387
1996 Martin JM, El-Yazal J, François J. On the structure and vibrational frequencies of C24 Chemical Physics Letters. 255: 7-14. DOI: 10.1016/0009-2614(95)01334-2  0.358
1995 Martin JM, El-Yazal J, François J. Basis set convergence and performance of density functional theory including exact exchange contributions for geometries and harmonic frequencies Molecular Physics. 86: 1437-1450. DOI: 10.1080/00268979500102841  0.391
1990 Martin J, François J, Gijbels R. Some cost-effective approximations to CCSD and QCISD Chemical Physics Letters. 172: 354-360. DOI: 10.1016/S0009-2614(90)87126-C  0.357
1990 Martin J, François J, Gijbels R. On size-consistency corrections for limited configuration-interaction calculations Chemical Physics Letters. 172: 346-353. DOI: 10.1016/S0009-2614(90)87125-B  0.339
1990 Martin J, François J, Gijbels R. Unusually large effects of single excitations on the geometry of radical species and limiting spin-projection invariance of some correlated methods Chemical Physics Letters. 166: 295-302. DOI: 10.1016/0009-2614(90)80032-9  0.305
1989 Martin J, François J, Gijbels R. On the validity of Pople's infinite-order Møller-Plesset extrapolation and an alternative formula within MBP/CC theories Chemical Physics Letters. 157: 217-223. DOI: 10.1016/0009-2614(89)87237-9  0.366
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