| Year |
Citation |
Score |
| 2019 |
Yang L, Reimers JR, Kobayashi R, Hush NS. Competition between charge migration and charge transfer induced by nuclear motion following core ionization: Model systems and application to Li. The Journal of Chemical Physics. 151: 124108. PMID 31575213 DOI: 10.1063/1.5117246 |
0.382 |
|
| 2017 |
Reimers JR, Hush NS. The critical role of the transition-state cusp diameter in understanding adiabatic and non-adiabatic electron transfer Russian Journal of Electrochemistry. 53: 1042-1053. DOI: 10.1134/S1023193517090105 |
0.383 |
|
| 2017 |
Reimers JR, Hush NS. Relating transition-state spectroscopy to standard chemical spectroscopic processes Chemical Physics Letters. 683: 467-477. DOI: 10.1016/J.Cplett.2017.04.070 |
0.36 |
|
| 2017 |
Chi Q, Ford MJ, Halder A, Hush NS, Reimers JR, Ulstrup J. Sulfur ligand mediated electrochemistry of gold surfaces and nanoparticles: What, how, and why Current Opinion in Electrochemistry. 1: 7-15. DOI: 10.1016/J.Coelec.2016.12.004 |
0.661 |
|
| 2016 |
Reimers JR, Ford MJ, Halder A, Ulstrup J, Hush NS. Gold surfaces and nanoparticles are protected by Au(0)-thiyl species and are destroyed when Au(I)-thiolates form. Proceedings of the National Academy of Sciences of the United States of America. PMID 26929334 DOI: 10.1073/Pnas.1600472113 |
0.661 |
|
| 2016 |
Reimers JR, Panduwinata D, Visser J, Chin Y, Tang C, Goerigk L, Ford MJ, Baker M, Sum TJ, Coenen MJJ, Hendriksen BLM, Elemans JAAW, Hush NS, Crossley MJ. From chaos to order: Chain-length dependence of the free energy of formation of meso-tetraalkylporphyrin self-assembled monolayer polymorphs Journal of Physical Chemistry C. 120: 1739-1748. DOI: 10.1021/Acs.Jpcc.5B11621 |
0.309 |
|
| 2015 |
Reimers JR, Panduwinata D, Visser J, Chin Y, Tang C, Goerigk L, Ford MJ, Sintic M, Sum TJ, Coenen MJ, Hendriksen BL, Elemans JA, Hush NS, Crossley MJ. A priori calculations of the free energy of formation from solution of polymorphic self-assembled monolayers. Proceedings of the National Academy of Sciences of the United States of America. PMID 26512115 DOI: 10.1073/Pnas.1516984112 |
0.408 |
|
| 2015 |
McKemmish LK, McKenzie RH, Hush NS, Reimers JR. Electron-vibration entanglement in the Born-Oppenheimer description of chemical reactions and spectroscopy. Physical Chemistry Chemical Physics : Pccp. 17: 24666-82. PMID 26204101 DOI: 10.1039/C5Cp02239H |
0.372 |
|
| 2015 |
Reimers JR, McKemmish LK, McKenzie RH, Hush NS. Non-adiabatic effects in thermochemistry, spectroscopy and kinetics: the general importance of all three Born-Oppenheimer breakdown corrections. Physical Chemistry Chemical Physics : Pccp. 17: 24641-65. PMID 26196265 DOI: 10.1039/C5Cp02238J |
0.406 |
|
| 2015 |
Reimers JR, McKemmish LK, McKenzie RH, Hush NS. A unified diabatic description for electron transfer reactions, isomerization reactions, proton transfer reactions, and aromaticity. Physical Chemistry Chemical Physics : Pccp. 17: 24598-617. PMID 26193994 DOI: 10.1039/C5Cp02236C |
0.387 |
|
| 2015 |
Reimers JR, McKemmish LK, McKenzie RH, Hush NS. Bond angle variations in XH3 [X = N, P, As, Sb, Bi]: the critical role of Rydberg orbitals exposed using a diabatic state model. Physical Chemistry Chemical Physics : Pccp. 17: 24618-40. PMID 26190514 DOI: 10.1039/C5Cp02237A |
0.419 |
|
| 2015 |
Ouyang R, Yan J, Jensen PS, Ascic E, Gan S, Tanner D, Mao B, Niu L, Zhang J, Tang C, Hush NS, Reimers JR, Ulstrup J. Intermixed adatom and surface-bound adsorbates in regular self-assembled monolayers of racemic 2-butanethiol on Au(111). Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry. 16: 928-32. PMID 25648513 DOI: 10.1002/Cphc.201402904 |
0.322 |
|
| 2014 |
Kuchel PW, Naumann C, Chapman BE, Shishmarev D, Håkansson P, Bacskay G, Hush NS. NMR resonance splitting of urea in stretched hydrogels: proton exchange and (1)H/(2)H isotopologues. Journal of Magnetic Resonance (San Diego, Calif. : 1997). 247: 72-80. PMID 25241007 DOI: 10.1016/J.Jmr.2014.08.004 |
0.317 |
|
| 2013 |
Lambropoulos NA, Reimers JR, Crossley MJ, Hush NS, Silverbrook K. A multiscale simulation technique for molecular electronics: design of a directed self-assembled molecular n-bit shift register memory device. Nanotechnology. 24: 505202. PMID 24270608 DOI: 10.1088/0957-4484/24/50/505202 |
0.327 |
|
| 2011 |
Chin Y, Panduwinata D, Sintic M, Sum TJ, Hush NS, Crossley MJ, Reimers JR. Atomic-Resolution Kinked Structure of an Alkylporphyrin on Highly Ordered Pyrolytic Graphite. The Journal of Physical Chemistry Letters. 2: 62-6. PMID 26295522 DOI: 10.1021/Jz101529T |
0.32 |
|
| 2011 |
McKemmish LK, McKenzie RH, Hush NS, Reimers JR. Quantum entanglement between electronic and vibrational degrees of freedom in molecules. The Journal of Chemical Physics. 135: 244110. PMID 22225147 DOI: 10.1063/1.3671386 |
0.399 |
|
| 2011 |
Wang Y, Chi Q, Zhang J, Hush NS, Reimers JR, Ulstrup J. Chain-branching control of the atomic structure of alkanethiol-based gold-sulfur interfaces. Journal of the American Chemical Society. 133: 14856-9. PMID 21859147 DOI: 10.1021/Ja204958H |
0.33 |
|
| 2011 |
Wang Y, Chi Q, Hush NS, Reimers JR, Zhang J, Ulstrup J. Gold mining by alkanethiol radicals: Vacancies and pits in the self-assembled monolayers of 1-propanethiol and 1-butanethiol on Au(111) Journal of Physical Chemistry C. 115: 10630-10639. DOI: 10.1021/Jp111811G |
0.303 |
|
| 2011 |
Wohlthat S, Solomon GC, Hush NS, Reimers JR. Interference-induced electron- and hole-conduction asymmetry Theoretical Chemistry Accounts. 130: 815-828. DOI: 10.1007/S00214-011-1045-2 |
0.425 |
|
| 2009 |
Reimers JR, McKemmish LK, McKenzie RH, Mark AE, Hush NS. Weak, strong, and coherent regimes of Fröhlich condensation and their applications to terahertz medicine and quantum consciousness. Proceedings of the National Academy of Sciences of the United States of America. 106: 4219-24. PMID 19251667 DOI: 10.1073/Pnas.0806273106 |
0.318 |
|
| 2009 |
Wang Y, Chi Q, Hush NS, Reimers JR, Zhang J, Ulstrup J. Scanning tunneling microscopic observation of adatom-mediated motifs on gold-thiol self-assembled monolayers at high coverage Journal of Physical Chemistry C. 113: 19601-19608. DOI: 10.1021/Jp906216K |
0.339 |
|
| 2008 |
Reimers JR, Wallace BB, Hush NS. Towards a comprehensive model for the electronic and vibrational structure of the Creutz-Taube ion. Philosophical Transactions. Series a, Mathematical, Physical, and Engineering Sciences. 366: 15-31. PMID 17827129 DOI: 10.1098/Rsta.2007.2136 |
0.379 |
|
| 2007 |
Yin S, Dahlbom MG, Canfield PJ, Hush NS, Kobayashi R, Reimers JR. Assignment of the Qy absorption spectrum of photosystem-I from Thermosynechococcus elongatus based on CAM-B3LYP calculations at the PW91-optimized protein structure. The Journal of Physical Chemistry. B. 111: 9923-30. PMID 17672486 DOI: 10.1021/Jp070030P |
0.418 |
|
| 2007 |
Wang Y, de Gironcoli S, Hush NS, Reimers JR. Successful a priori modeling of CO adsorption on Pt(111) using periodic hybrid density functional theory. Journal of the American Chemical Society. 129: 10402-7. PMID 17672452 DOI: 10.1021/Ja0712367 |
0.343 |
|
| 2007 |
Leiger K, Freiberg A, Dahlbom MG, Hush NS, Reimers JR. Pressure-induced spectral changes for the special-pair radical cation of the bacterial photosynthetic reaction center. The Journal of Chemical Physics. 126: 215102. PMID 17567219 DOI: 10.1063/1.2739513 |
0.362 |
|
| 2007 |
Reimers JR, Solomon GC, Gagliardi A, Bili? A, Hush NS, Frauenheim T, Di Carlo A, Pecchia A. The Green's function density functional tight-binding (gDFTB) method for molecular electronic conduction. The Journal of Physical Chemistry. A. 111: 5692-702. PMID 17530826 DOI: 10.1021/Jp070598Y |
0.389 |
|
| 2007 |
Gagliardi A, Solomon GC, Pecchia A, Frauenheim T, Di Carlo A, Hush NS, Reimers JR. A priori method for propensity rules for inelastic electron tunneling spectroscopy of single-molecule conduction Physical Review B - Condensed Matter and Materials Physics. 75. DOI: 10.1103/Physrevb.75.174306 |
0.386 |
|
| 2007 |
Wang Y, Hush NS, Reimers JR. Understanding the chemisorption of 2-methyl-2-propanethiol on Au(111) Journal of Physical Chemistry C. 111: 10878-10885. DOI: 10.1021/Jp068833K |
0.327 |
|
| 2007 |
Ren W, Reimers JR, Hush NS, Zhu Y, Wang J, Guo H. Models for the structure and electronic transmission of carbon nanotubes covalently linked by a molecular bridge via amide couplings Journal of Physical Chemistry C. 111: 3700-3704. DOI: 10.1021/Jp0659958 |
0.341 |
|
| 2006 |
Bilić A, Reimers JR, Hush NS, Hoft RC, Ford MJ. Adsorption of Benzene on Copper, Silver, and Gold Surfaces. Journal of Chemical Theory and Computation. 2: 1093-105. PMID 26633068 DOI: 10.1021/Ct050237R |
0.322 |
|
| 2006 |
Solomon GC, Gagliardi A, Pecchia A, Frauenheim T, Di Carlo A, Reimers JR, Hush NS. The symmetry of single-molecule conduction. The Journal of Chemical Physics. 125: 184702. PMID 17115774 DOI: 10.1063/1.2363976 |
0.33 |
|
| 2006 |
Kanchanawong P, Dahlbom MG, Treynor TP, Reimers JR, Hush NS, Boxer SG. Charge delocalization in the special-pair radical cation of mutant reaction centers of Rhodobacter sphaeroides from Stark spectra and nonadiabatic spectral simulations. The Journal of Physical Chemistry. B. 110: 18688-702. PMID 16970500 DOI: 10.1021/Jp0623894 |
0.403 |
|
| 2006 |
Solomon GC, Gagliardi A, Pecchia A, Frauenheim T, Di Carlo A, Reimers JR, Hush NS. Understanding the inelastic electron-tunneling spectra of alkanedithiols on gold. The Journal of Chemical Physics. 124: 94704. PMID 16526869 DOI: 10.1063/1.2166362 |
0.423 |
|
| 2006 |
Canfield P, Dahlbom MG, Hush NS, Reimers JR. Density-functional geometry optimization of the 150,000-atom photosystem-I trimer. The Journal of Chemical Physics. 124: 024301. PMID 16422577 DOI: 10.1063/1.2148956 |
0.329 |
|
| 2005 |
Zhang J, Bilic A, Reimers JR, Hush NS, Ulstrup J. Coexistence of multiple conformations in cysteamine monolayers on Au(111). The Journal of Physical Chemistry. B. 109: 15355-67. PMID 16852948 DOI: 10.1021/Jp050797M |
0.348 |
|
| 2005 |
Solomon GC, Reimers JR, Hush NS. Overcoming computational uncertainties to reveal chemical sensitivity in single molecule conduction calculations. The Journal of Chemical Physics. 122: 224502. PMID 15974686 DOI: 10.1063/1.1926280 |
0.363 |
|
| 2005 |
Bili? A, Reimers JR, Hush NS. The structure, energetics, and nature of the chemical bonding of phenylthiol adsorbed on the Au(111) surface: implications for density-functional calculations of molecular-electronic conduction. The Journal of Chemical Physics. 122: 094708. PMID 15836163 DOI: 10.1063/1.1850455 |
0.441 |
|
| 2005 |
Reimers JR, Cai ZL, Hush NS. A priori evaluation of the solvent contribution to the reorganization energy accompanying intramolecular electron transfer: Predicting the nature of the Creutz-Taube ion Chemical Physics. 319: 39-51. DOI: 10.1016/J.Chemphys.2005.06.039 |
0.437 |
|
| 2005 |
Hush NS, Schamberger J, Bacskay GB. A quantum chemical computational study of the relative stabilities of cis- and trans-platinum dichloride in aqueous solution Coordination Chemistry Reviews. 249: 299-311. DOI: 10.1016/J.Ccr.2004.05.021 |
0.367 |
|
| 2004 |
Solomon GC, Reimers JR, Hush NS. Single molecule conductivity: the role of junction-orbital degeneracy in the artificially high currents predicted by ab initio approaches. The Journal of Chemical Physics. 121: 6615-27. PMID 15473716 DOI: 10.1063/1.1791011 |
0.431 |
|
| 2004 |
Reimers JR, Hush NS. A unified description of the electrochemical, charge distribution, and spectroscopic properties of the special-pair radical cation in bacterial photosynthesis. Journal of the American Chemical Society. 126: 4132-44. PMID 15053603 DOI: 10.1021/Ja036883M |
0.381 |
|
| 2004 |
Bili? A, Reimers JR, Hush NS. Dissociated water on Si(100): Relation between STM topograph and actual geometry Surface Review and Letters. 11: 185-190. DOI: 10.1142/S0218625X04006049 |
0.317 |
|
| 2004 |
Lambropoulos NA, Reimers JR, Hush NS. Flanged nanotube-electrode junctions Nanotechnology. 15: 1226-1232. DOI: 10.1088/0957-4484/15/9/020 |
0.336 |
|
| 2004 |
Wang B, Zheng X, Michl J, Foley ET, Hersam MC, Bili? A, Crossley MJ, Reimers JR, Hush NS. An azanorbornadiene anchor for molecular-level construction on silicon(100) Nanotechnology. 15: 324-332. DOI: 10.1088/0957-4484/15/3/016 |
0.373 |
|
| 2004 |
Reimers JR, Bili? A, Cai ZL, Dahlbom M, Lambropoulos NA, Solomon GC, Crossley MJ, Hush NS. Molecular electronics: From basic chemical principles to photosynthesis to steady-state through-molecule conductivity to computer architectures Australian Journal of Chemistry. 57: 1133-1138. DOI: 10.1071/Ch04132 |
0.402 |
|
| 2004 |
Reimers JR, Hush NS. Hamiltonian operators including both symmetric and antisymmetric vibrational modes for vibronic coupling and intervalence charge-transfer applications Chemical Physics. 299: 79-82. DOI: 10.1016/J.Chemphys.2003.12.010 |
0.325 |
|
| 2003 |
Reimers JR, Cai ZL, Bili? A, Hush NS. The appropriateness of density-functional theory for the calculation of molecular electronics properties. Annals of the New York Academy of Sciences. 1006: 235-51. PMID 14976022 DOI: 10.1196/Annals.1292.017 |
0.437 |
|
| 2003 |
Hush NS. An overview of the first half-century of molecular electronics. Annals of the New York Academy of Sciences. 1006: 1-20. PMID 14976006 DOI: 10.1196/Annals.1292.016 |
0.383 |
|
| 2003 |
Reimers JR, Hush NS. Modeling the bacterial photosynthetic reaction center. VII. Full simulation of the intervalence hole-transfer absorption spectrum of the special-pair radical cation Journal of Chemical Physics. 119: 3262-3277. DOI: 10.1063/1.1589742 |
0.37 |
|
| 2003 |
Bili? A, Reimers JR, Hush NS. Modeling the adsorption of norbornadiene on the Si(001) surface: The predominance of non-[2+2]-cycloaddition products Journal of Chemical Physics. 119: 1115-1126. DOI: 10.1063/1.1577539 |
0.314 |
|
| 2003 |
Reimers JR, Shapley WA, Rendell AP, Hush NS. Modelling the bacterial photosynthetic reaction center. VI. Use of density-functional theory to determine the nature of the vibronic coupling between the four lowest-energy electronic states of the special-pair radical cation Journal of Chemical Physics. 119: 3249-3261. DOI: 10.1063/1.1569910 |
0.681 |
|
| 2003 |
Reimers JR, Shapley WA, Hush NS. Modelling the bacterial photosynthetic reaction center. V. Assignment of the electronic transition observed at 2200 cm-1 in the special-pair radical-cation as a second-highest occupied molecular orbital to highest occupied molecular orbital transition Journal of Chemical Physics. 119: 3240-3248. DOI: 10.1063/1.1569909 |
0.392 |
|
| 2003 |
Binstead RA, Reimers JR, Hush NS. Inter-porphyrin coupling: Rotation-modulation of inter-ring coupling in a μ-oxo-silicon phthalocyanine dimer Chemical Physics Letters. 378: 654-659. DOI: 10.1016/J.Cplett.2003.08.003 |
0.371 |
|
| 2002 |
Sendt K, Johnston LA, Hough WA, Crossley MJ, Hush NS, Reimers JR. Switchable electronic coupling in model oligoporphyrin molecular wires examined through the measurement and assignment of electronic absorption spectra. Journal of the American Chemical Society. 124: 9299-309. PMID 12149038 DOI: 10.1021/Ja020081U |
0.414 |
|
| 2002 |
Reimers JR, Shapley WA, Lambropoulos N, Hush NS. An atomistic approach to conduction between nanoelectrodes through a single molecule. Annals of the New York Academy of Sciences. 960: 100-30. PMID 11971793 DOI: 10.1111/J.1749-6632.2002.Tb03027.X |
0.407 |
|
| 2002 |
Reimers JR, Hush NS, Crossley MJ. Inter-porphyrin coupling: How strong should it be for molecular electronics applications? Journal of Porphyrins and Phthalocyanines. 6: 795-805. DOI: 10.1142/S1088424602000919 |
0.369 |
|
| 2002 |
Lambropoulos NA, Reimers JR, Hush NS. Binding to gold(0): Accurate computational methods with application to AuNH3 Journal of Chemical Physics. 116: 10277-10286. DOI: 10.1063/1.1473197 |
0.385 |
|
| 2002 |
Bili? A, Reimers JR, Hush NS, Hafner J. Adsorption of ammonia on the gold (111) surface Journal of Chemical Physics. 116: 8981-8987. DOI: 10.1063/1.1471245 |
0.342 |
|
| 2002 |
Bili? A, Reimers JR, Hush NS. Adsorption of pyridine on the gold(111) surface: Implications for "alligator clips" for molecular wires Journal of Physical Chemistry B. 106: 6740-6747. DOI: 10.1021/Jp020590I |
0.347 |
|
| 2002 |
Shapley WA, Reimers JR, Hush NS. INDO/S parameters for gold International Journal of Quantum Chemistry. 90: 424-438. DOI: 10.1002/Qua.10058 |
0.378 |
|
| 2001 |
Mylvaganam K, Bacskay GB, Hush NS. Protonation-induced paramagnetism. Structures and stabilities of six- and seven-coordinate complexes of Os(II) in singlet and triplet states: a density functional study. Journal of the American Chemical Society. 123: 5495-506. PMID 11389632 DOI: 10.1021/Ja003723R |
0.383 |
|
| 2001 |
Reimers J, Rendell A, Hush N. Unifying ENDOR, electrochemical, and FTIR spectroscopic results for the Special-Pair radical cation in bacterial photosynthesis Science Access. 3. DOI: 10.1071/Sa0403195 |
0.614 |
|
| 2001 |
Reimers JR, Hush NS. The need for quantum-mechanical treatment of capacitance and related properties of nanoelectrodes Journal of Physical Chemistry B. 105: 8979-8988. DOI: 10.1021/Jp011023I |
0.404 |
|
| 2000 |
Hush NS, Reimers JR. Solvent effects on the electronic spectra of transition metal complexes. Chemical Reviews. 100: 775-86. PMID 11749250 DOI: 10.1021/Cr980409V |
0.358 |
|
| 2000 |
Reimers JR, Hughes JM, Hush NS. Modeling the bacterial photosynthetic reaction center 3: interpretation of effects of site-directed mutagenesis on the special-pair midpoint potential. Biochemistry. 39: 16185-9. PMID 11123947 DOI: 10.1021/Bi001341S |
0.373 |
|
| 2000 |
Hall LE, Reimers JR, Hush NS, Silverbrook K. Formalism, analytical model, and a priori Green's-function-based calculations of the current-voltage characteristics of molecular wires Journal of Chemical Physics. 112: 1510-1521. DOI: 10.1063/1.480696 |
0.377 |
|
| 2000 |
Reimers JR, Hall LE, Hush NS. Tautomerization of nucleobase model compounds: The 4-pyridinol and 4(1H)-pyridinone monomers and their dimers Journal of Physical Chemistry A. 104: 5087-5092. DOI: 10.1021/Jp9939827 |
0.336 |
|
| 2000 |
Mylvaganam K, Bacskay GB, Hush NS. Homogeneous conversion of methane to methanol. 2. Catalytic activation of methane by cis- and trans-platin: A density functional study of the shilov type reaction Journal of the American Chemical Society. 122: 2041-2052. DOI: 10.1021/Ja993015+ |
0.31 |
|
| 2000 |
Reimers JR, Hutter MC, Hughes JM, Hush NS. Nature of the special-pair radical cation in bacterial photosynthesis International Journal of Quantum Chemistry. 80: 1224-1243. DOI: 10.1002/1097-461X(2000)80:6<1224::Aid-Qua9>3.0.Co;2-W |
0.436 |
|
| 1999 |
Reimers JR, Hush NS. Vibrational Stark Spectroscopy 3. Accurate Benchmark ab Initio and Density Functional Calculations for CO and CN- Journal of Physical Chemistry A. 103: 10580-10587. DOI: 10.1021/Jp992218H |
0.389 |
|
| 1999 |
Reimers JR, Hush NS. Electron and Energy Transfer through Bridged Systems. 9. Toward a Priori Evaluation of the Intermetallic Coupling in Bis-metal Complexes The Journal of Physical Chemistry A. 103: 3066-3072. DOI: 10.1021/Jp984598X |
0.423 |
|
| 1999 |
Hutter MC, Hughes JM, Reimers JR, Hush NS. Modeling the bacterial photosynthetic reaction center. 2. A combined quantum mechanical/molecular mechanical study of the structure of the cofactors in the reaction centers of purple bacteria Journal of Physical Chemistry B. 103: 4906-4915. DOI: 10.1021/Jp9833808 |
0.349 |
|
| 1999 |
Reimers JR, Hall LE, Crossley MJ, Hush NS. Rigid Fused Oligoporphyrins as Potential Versatile Molecular Wires. 2. B3LYP and SCF Calculated Geometric and Electronic Properties of 98 Oligoporphyrin and Related Molecules The Journal of Physical Chemistry A. 103: 4385-4397. DOI: 10.1021/Jp982650J |
0.447 |
|
| 1999 |
Mylvaganam K, Bacskay GB, Hush NS. Homogeneous conversion of methane to methanol. 1. Catalytic activation and functionalization of methane by cis-platin in sulfuric acid: A density functional study of the thermochemistry Journal of the American Chemical Society. 121: 4633-4639. DOI: 10.1021/Ja983753I |
0.303 |
|
| 1999 |
Hush N. Electron transfer in retrospect and prospect Journal of Electroanalytical Chemistry. 460: 5-29. DOI: 10.1016/S0022-0728(98)00371-4 |
0.335 |
|
| 1998 |
Reimers JR, Hall LE, Hush NS, Silverbrook K. Chemical control of tautomerization-based molecular electronic and color switches Annals of the New York Academy of Sciences. 852: 38-53. DOI: 10.1111/J.1749-6632.1998.Tb09863.X |
0.373 |
|
| 1998 |
Hush NS, Reimers JR, Hall LE, Johnston LA, Crossley MJ. Optimization and chemical control of porphyrin-based molecular wires and switches Annals of the New York Academy of Sciences. 852: 1-21. DOI: 10.1111/J.1749-6632.1998.Tb09861.X |
0.406 |
|
| 1998 |
Reimers JR, Hutter MC, Hush NS. The spectroscopy of the low-lying bands in the special-pair radical-cations of photosynthetic reaction centres Photosynthesis Research. 55: 163-171. DOI: 10.1023/A:1005937026373 |
0.364 |
|
| 1998 |
Hutter MC, Reimers JR, Hush NS. Modeling the bacterial photosynthetic reaction center. 1. Magnesium parameters for the semiempirical AM1 method developed using a genetic algorithm Journal of Physical Chemistry B. 102: 8080-8090. DOI: 10.1021/Jp9805205 |
0.357 |
|
| 1998 |
Hush NS, Reimers JR. Solvent effects on metal to ligand charge transfer excitations Coordination Chemistry Reviews. 177: 37-60. DOI: 10.1016/S0010-8545(98)00100-3 |
0.387 |
|
| 1996 |
Reimers JR, Hush NS. Analytic solutions to resonant and non-resonant through-bridge electronic coupling Nanotechnology. 7: 417-423. DOI: 10.1088/0957-4484/7/4/021 |
0.411 |
|
| 1996 |
Bytheway I, Bacskay GB, Hush NS. Ligand exchange reactions in molecular hydrogen complexes of osmium(II): A quantum chemical study using density functional theory Journal of Physical Chemistry. 100: 14899-14903. DOI: 10.1021/Jp9608584 |
0.356 |
|
| 1996 |
Reimers JR, Zeng J, Hush NS. Vibrational stark spectroscopy. 2. Application to the CN stretch in HCN and acetonitrile Journal of Physical Chemistry. 100: 1498-1504. DOI: 10.1021/Jp9523985 |
0.376 |
|
| 1996 |
Bytheway I, Bacskay GB, Hush NS. Quantum chemical study of the properties of molecular hydrogen complexes of osmium(II): A comparison of density functional and conventional ab initio methods Journal of Physical Chemistry. 100: 6023-6031. DOI: 10.1021/Jp952325L |
0.423 |
|
| 1996 |
Bacskay GB, Bytheway I, Hush NS. H-D spin-spin coupling in stretched molecular hydrogen complexes of osmium(II): Density functional studies of JHD Journal of the American Chemical Society. 118: 3753-3756. DOI: 10.1021/Ja953611D |
0.383 |
|
| 1996 |
Zeng J, Hush NS, Reimers JR. Solvent effects on molecular and ionic spectra. 7. Modeling the absorption and electroabsorption spectra of pentaammine-ruthenium(II) pyrazine and its conjugate acid in water Journal of the American Chemical Society. 118: 2059-2068. DOI: 10.1021/Ja952993K |
0.416 |
|
| 1996 |
Reimers JR, Lü TX, Crossley MJ, Hush NS. Molecular electronic properties of fused rigid porphyrin-oligomer molecular wires Nanotechnology. 7: 424-429. DOI: 10.1016/0009-2614(96)00435-6 |
0.409 |
|
| 1995 |
Reimers JR, Craw JS, Bacskay GB, Hush NS. Towards efficient molecular wires and switches: the Brooker ions. Bio Systems. 35: 107-11. PMID 7488697 DOI: 10.1016/0303-2647(94)01495-S |
0.318 |
|
| 1995 |
Reimers JR, Lü TX, Crossley MJ, Hush NS. The mechanism of inner-hydrogen migration in free base porphyrin: Ab initio MP2 calculations Journal of the American Chemical Society. 117: 2855-2861. DOI: 10.1021/Ja00115A018 |
0.367 |
|
| 1995 |
Reimers JR, Hush NS. The nature of the near-infrared electronic absorption at 1250 nm in the spectra of the radical cations of the special pairs in the photosynthetic reaction centers of Rhodobacter sphaeroides and Rhodopseudomonas viridis Journal of the American Chemical Society. 117: 1302-1308. DOI: 10.1021/Ja00109A013 |
0.351 |
|
| 1994 |
Craw JS, Bacskay GB, Hush NS. Stretched molecular hydrogen complexes of osmium(II): A quantum chemical study of the influence of the trans ligand on geometries, spin-spin coupling constants, bonding, and charge distributions Journal of the American Chemical Society. 116: 5937-5948. DOI: 10.1021/Ja00092A050 |
0.322 |
|
| 1994 |
Zeng J, Craw JS, Hush NS, Reimers JR. Solvent effects on molecular and ionic spectra. 4. Photochemistry of Fe2+(H2O)6 in water revisited: Possible mechanisms for the primary absorption process leading to electron ejection Journal of Physical Chemistry. 98: 11075-11088. DOI: 10.1021/J100094A015 |
0.344 |
|
| 1994 |
Reimers JR, Hush NS. Electron transfer and energy transfer through bridged systems III. Tight-binding linkages with zero or non-zero asymptotic band gap Journal of Photochemistry and Photobiology, a: Chemistry. 82: 31-46. DOI: 10.1016/1010-6030(94)02003-5 |
0.367 |
|
| 1994 |
Reimers JR, Hush NS. The influence of spin-forbidden monomer excitations on spin-allowed electron transfer and electron-localized states of mixed-valence and single-valence dimeric systems Inorganica Chimica Acta. 226: 33-42. DOI: 10.1016/0020-1693(94)04068-0 |
0.35 |
|
| 1993 |
Reimers JR, Craw JS, Wong A, Bacska GB, Hush NS. Comparison of Soliton Geometry and Charge-Density Wave Structure, and Band Gaps, Between Odd Polyene and Symmetrical Polymethine Cyanine (Brooker) Ions and T - Polyacetylene : Scf and Model Hamiltonian Approaches with Implications For Molecular Wires and Switches Molecular Crystals and Liquid Crystals Science and Technology. Section a. Molecular Crystals and Liquid Crystals. 234: 51-57. DOI: 10.1080/10587259308042897 |
0.336 |
|
| 1993 |
Zeng J, Craw JS, Hush NS, Reimers JR. Solvent effects on molecular spectra. I. Normal pressure and temperature Monte Carlo simulations of the structure of dilute pyrimidine in water Journal of Chemical Physics. 99: 1482-1495. DOI: 10.1063/1.465317 |
0.384 |
|
| 1993 |
Reimers JR, Craw JS, Hush NS. Solitons in finite and infinite length negative-defect trans-polyacetylene and the corresponding Brooker (polymethinecyanine) cations. 3. Relation between predicted soliton charge-density wave structure of odd polyene anions and carbon-13 NMR chemical shifts The Journal of Physical Chemistry. 97: 2778-2787. DOI: 10.1021/J100113A048 |
0.311 |
|
| 1993 |
Zeng J, Craw JS, Hush NS, Reimers JR. Medium effects on molecular and ionic electronic spectra. Application to the lowest 1(n, π*) state of dilute pyridine in water Chemical Physics Letters. 206: 323-328. DOI: 10.1016/0009-2614(93)85559-7 |
0.426 |
|
| 1993 |
Zeng J, Hush NS, Reimers JR. Enthalpy of hydration and partial molar specific volume as criteria for evaluation of intermolecular potentials. NPT-ensemble Monte Carlo calculations for dilute neon in water Chemical Physics Letters. 206: 318-322. DOI: 10.1016/0009-2614(93)85558-6 |
0.317 |
|
| 1992 |
Craw JS, Reimers JR, Bacskay GB, Wong AT, Hush NS. Solitons in finite- and infinite-length negative-defect trans-polyacetylene and the corresponding Brooker (polymethinecyanine) cations. II. Charge density wave Chemical Physics. 167: 101-109. DOI: 10.1016/0301-0104(92)80025-Q |
0.337 |
|
| 1991 |
Wong AT, Bacskay GB, Hush NS, Bogaard MP. Ab initio polarizability derivatives for methane:An application to raman intensities of overtone and combination bands Molecular Physics. 74: 1037-1064. DOI: 10.1080/00268979100102791 |
0.359 |
|
| 1991 |
Reimers JR, Hush NS. Electronic properties of transition-metal complexes determined from electroabsorption (Stark) spectroscopy. 2. Mononuclear complexes of ruthenium(II) Journal of Physical Chemistry. 95: 9773-9781. DOI: 10.1021/J100177A032 |
0.312 |
|
| 1991 |
Bacskay GB, Hush NS, Ikuta S. Crowded molecules and "counterintuitive" substituent separations: Quantum chemical calculations of equilibrium geometries and energies of 1,8-dichloro- and 1,4,5,8-tetrachloronaphthalene and 4,5-dichlorophenanthrene Journal of Physical Chemistry. 95: 9291-9297. DOI: 10.1021/J100176A048 |
0.327 |
|
| 1990 |
Hush NS, Wong AT, Bacskay GB, Reimers JR. Electron and energy transfer through bridged systems. 6. Molecular switches: The critical field in electric field activated bistable molecules Journal of the American Chemical Society. 112: 4192-4197. DOI: 10.1021/Ja00167A014 |
0.334 |
|
| 1990 |
Bacskay GB, Kerdraon DI, Hush NS. Quantum chemical study of the HCl molecule and its binary complexes with CO, C2H2, C2H4, PH3, H2S, HCN, H2O and NH3: Hydrogen bonding and its effect on the 35Cl nuclear quadrupole coupling constant Chemical Physics. 144: 53-69. DOI: 10.1016/0301-0104(90)80071-5 |
0.421 |
|
| 1988 |
Bacskay GB, Rendell APL, Hush NS. Ab initio quantum chemical study of the molecular and spectroscopic (infrared and Raman) properties of sulfur dioxide: Comparison with ozone The Journal of Chemical Physics. 89: 5721-5730. DOI: 10.1063/1.455582 |
0.672 |
|
| 1988 |
Rendell APL, Bacskay GB, Hush NS. Electron transfer via dithiaspiroalkane linkages. Nature of long-range through-bond electronic coupling in disulfoxide radical cations and bis(metal) complexes and implications for the characterization of the SO bond Journal of the American Chemical Society. 110: 8343-8354. DOI: 10.1021/Ja00233A011 |
0.661 |
|
| 1988 |
Oevering H, Verhoeven JW, Paddon-Row MN, Cotsaris E, Hush NS. Long-range exchange contribution to singlet-singlet energy transfer in a series of rigid bichromophoric molecules Chemical Physics Letters. 143: 488-495. DOI: 10.1016/0009-2614(88)87401-3 |
0.389 |
|
| 1988 |
Oevering H, Verhoeven JW, Paddon-Row MN, Cotsaris E, Hush NS. On a long-range exchange mechanism for energy transfer in rigid bichromophoric molecules Chemical Physics Letters. 150: 179-180. DOI: 10.1016/0009-2614(88)80419-6 |
0.376 |
|
| 1988 |
Cummins PL, Bacskay GB, Hush NS, Jönsson B. On the structure, lattice energy and 14N nuclear quadrupole coupling constant of solid HCN Chemical Physics Letters. 145: 399-406. DOI: 10.1016/0009-2614(88)80198-2 |
0.368 |
|
| 1987 |
Cummins PL, Bacskay GB, Hush NS. The effect of intermolecular interactions on the electric field gradients in solid ammonia, tetrazole and imidazole: The role of electrostatics Molecular Physics. 62: 193-213. DOI: 10.1080/00268978700102141 |
0.381 |
|
| 1987 |
Cummins PL, Bacskay GB, Hush NS. The effects of intermolecular interactions on the electric field gradients in ice and liquid water the role of electrostatics Molecular Physics. 61: 795-811. DOI: 10.1080/00268978700101481 |
0.373 |
|
| 1987 |
Hush N, Livett M, Peel J, Willett G. Variable-Temperature Ultraviolet Photoelectron-Spectroscopy of the Keto-Enol Tautomers of Pentane-2,4-Dione Australian Journal of Chemistry. 40: 599-609. DOI: 10.1071/Ch9870599 |
0.412 |
|
| 1987 |
Rendell APL, Bacskay GB, Hush NS. An ab initio quantum chemical study of the hydrogen‐ and ‘‘anti’’‐hydrogen‐bonded HF/ClF and HF/Cl2 dimers The Journal of Chemical Physics. 87: 535-544. DOI: 10.1063/1.453601 |
0.689 |
|
| 1987 |
Cummins PL, Bacskay GB, Hush NS. The prediction of nuclear quadrupole moments from ab initio quantum chemical studies on small molecules. II. The electric field gradients at the 17O, 35Cl, and 2H nuclei in CO, NO+, OH-, H2O, CH2O, HCl, LiCl, and FCl The Journal of Chemical Physics. 87: 416-423. DOI: 10.1063/1.453586 |
0.392 |
|
| 1987 |
Rendell APL, Bacskay GB, Hush NS, Handy NC. The analytic configuration interaction gradient method: The calculation of one electron properties Journal of Chemical Physics. 87: 5976-5986. DOI: 10.1063/1.453521 |
0.426 |
|
| 1987 |
Penfield KW, Miller JR, Paddon-Row MN, Cotsaris E, Oliver AM, Hush NS. Optical and thermal electron transfer in rigid difunctional molecules of fixed distance and orientation Journal of the American Chemical Society. 109: 5061-5065. DOI: 10.1021/Ja00251A001 |
0.38 |
|
| 1987 |
Oevering H, Paddon-Row MN, Heppener M, Oliver AM, Cotsaris E, Verhoeven JW, Hush NS. Long-range photoinduced through-bond electron transfer and radiative recombination via rigid nonconjugated bridges: Distance and solvent dependence Journal of the American Chemical Society. 109: 3258-3269. DOI: 10.1021/Ja00245A014 |
0.392 |
|
| 1987 |
Bacskay GB, Bryant G, Hush NS. Hole localization and broken symmetry: A theoretical study of core electron ionization in the Li2 molecule International Journal of Quantum Chemistry. 31: 471-487. DOI: 10.1002/Qua.560310319 |
0.399 |
|
| 1987 |
Rendell APL, Bacskay GB, Hush NS, Handy NC. The analytic configuration interaction gradient method: The calculation of one electron properties The Journal of Chemical Physics. 87: 5976-5986. |
0.626 |
|
| 1986 |
Cummins PL, Rendell APL, Swanton DJ, Bacskay GB, Hush NS. The role of electrostatics in molecular interactions: Prediction of shapes and electronic properties of weakly bound complexes International Reviews in Physical Chemistry. 5: 139-146. DOI: 10.1080/01442358609353375 |
0.686 |
|
| 1986 |
Cummins PL, Bacskay GB, Hush NS, Ahlrichs R. The prediction of nuclear quadrupole moments from ab initio quantum chemical studies on small molecules. I. the electric field gradients at the 14N and 2H nuclei in N2, NO, NO+, CN, CN-, HCN, HNC, and NH3 The Journal of Chemical Physics. 86: 6908-6917. DOI: 10.1063/1.452390 |
0.377 |
|
| 1986 |
Hush NS, Willett GD, Paddon-Row MN, Patney HK, Peel JB. Orbital interactions. Part 13. The observation of through-bond orbital interactions between benzene and double bonds in some dimethanoanthracenes Journal of the Chemical Society, Perkin Transactions 2. 827-833. DOI: 10.1039/P29860000827 |
0.406 |
|
| 1986 |
Warman JM, de Haas MP, Paddon-Row MN, Cotsaris E, Hush NS, Oevering H, Verhoeven JW. LIGHT-INDUCED GIANT DIPOLES IN SIMPLE MODEL COMPOUNDS FOR PHOTOSYNTHESIS Nature. 320: 615-616. DOI: 10.1038/320615A0 |
0.389 |
|
| 1986 |
Swanton DJ, Bacskay GB, Hush NS. A quantum chemical study of the infrared absorption intensities of the isoelectronic C2v systems H2F+, H2O and NH- 2 Chemical Physics. 107: 25-31. DOI: 10.1016/0301-0104(86)85055-8 |
0.397 |
|
| 1986 |
Swanton DJ, Bacskay GB, Hush NS. A quantum chemical study of the infrared absorption intensities of the isolectronic C3v systems NH3, H3O+ and CH- 3 Chemical Physics. 107: 9-23. DOI: 10.1016/0301-0104(86)85054-6 |
0.381 |
|
| 1986 |
Kilcoyne DAL, Nordholm S, Hush NS. Diffraction analysis of the photoionisation cross sections of water, ammonia and methane Chemical Physics. 107: 213-223. DOI: 10.1016/0301-0104(86)85005-4 |
0.351 |
|
| 1986 |
Kilcoyne DAL, Nordholm S, Hush NS. Analysis of photoionisation cross sections of molecular fluorine and chlorine, and hydrogen chloride by a pseudo-atomic diffraction theory: interference enhancement and its dependence on orbital type Chemical Physics. 107: 197-212. DOI: 10.1016/0301-0104(86)85004-2 |
0.384 |
|
| 1986 |
Warman JM, De Haas MP, Oevering H, Verhoeven JW, Paddon-Row MN, Oliver AM, Hush NS. Donor, acceptor, and self-quenching of the giant-dipole state of a rigid, σ-bond separated, donor-acceptor molecular assembly Chemical Physics Letters. 128: 95-99. DOI: 10.1016/0009-2614(86)80153-1 |
0.341 |
|
| 1985 |
Swanton DJ, Bacskay GB, Hush NS. The infrared absorption intensities of the water molecule: A quantum chemical study The Journal of Chemical Physics. 84: 5715-5727. DOI: 10.1063/1.449931 |
0.408 |
|
| 1985 |
Cummins PL, Bacskay GB, Hush NS. Ab initio quantum chemical studies of electric field gradients in the hydrogen bonded molecular nitrogen-hydrogen fluoride and molecular nitrogen-hydrogen chloride complexes The Journal of Physical Chemistry. 89: 2151-2155. DOI: 10.1021/J100257A005 |
0.318 |
|
| 1985 |
Kilcoyne DAL, McCarthy CM, Nordholm S, Hush NS, Hilton PR. An atomic diffraction theory of molecular photoionization cross sections Journal of Electron Spectroscopy and Related Phenomena. 36: 153-185. DOI: 10.1016/0368-2048(85)80016-5 |
0.333 |
|
| 1985 |
Hush NS. Distance Dependence of Electron Transfer Rates Coordination Chemistry Reviews. 64: 135-157. DOI: 10.1016/0010-8545(85)80047-3 |
0.381 |
|
| 1985 |
Hush NS, Paddon-Row MN, Cotsaris E, Oevering H, Verhoeven JW, Heppener M. Distance dependence of photoinduced electron transfer through non-conjugated bridges Chemical Physics Letters. 117: 8-11. DOI: 10.1016/0009-2614(85)80394-8 |
0.372 |
|
| 1985 |
Rendell APL, Bacskay GB, Hush NS. The validity of electrostatic predictions of the shapes of van der Waals dimers Chemical Physics Letters. 117: 400-408. DOI: 10.1016/0009-2614(85)80272-4 |
0.653 |
|
| 1984 |
Cummins PL, Bacskay GB, Hush NS, Halle B, Engström S. The effect of intermolecular interactions on the 2H and 17O quadrupole coupling constants in ice and liquid water The Journal of Chemical Physics. 82: 2002-2013. DOI: 10.1063/1.448384 |
0.362 |
|
| 1984 |
Armstrong RS, Beattie JK, Del Favero P, Ellis VM, Hush NS. Electronic and resonance raman spectroscopic evidence for identification of μ-trihalobis(triammine-ruthenium)(2+) ions as delocalized Ru(II,III) mixed-valence complexes Inorganica Chimica Acta. 89: L33-L34. DOI: 10.1016/S0020-1693(00)82336-1 |
0.31 |
|
| 1984 |
Swanton DJ, Bacskay GB, Hush NS. An ab initio SCF calculation of the polarizability tensor, polarizability derivatives and Raman scattering activities of the water-dimer molecule Chemical Physics. 83: 69-75. DOI: 10.1016/0301-0104(84)85220-9 |
0.365 |
|
| 1984 |
Hush NS, Beattie JK, Ellis VM. Electronic spectra of tris(.mu.-halo)bis(triammineruthenium)(2+) ions: evidence for delocalized mixed-valence D3h ruthenium(II, III) ground states Inorganic Chemistry. 23: 3339-3342. DOI: 10.1002/Chin.198502005 |
0.329 |
|
| 1983 |
Hush N. Thermal and optical electron transfer probabilities in biological systems Inorganica Chimica Acta. 79: 55. DOI: 10.1016/S0020-1693(00)95081-3 |
0.39 |
|
| 1983 |
Swanton DJ, Bacskay GB, Hush NS. An ab initio SCF calculation of the dipole-moment derivatives and infrared-absorption intensities of the water-dimer molecule Chemical Physics. 82: 303-315. DOI: 10.1016/0301-0104(83)85236-7 |
0.382 |
|
| 1983 |
Swanton DJ, Bacskay GB, Willett GD, Hush NS. Structure and relative stabilities of isomers of C2H2N+: An ab initio molecular orbital study Journal of Molecular Structure: Theochem. 91: 313-323. DOI: 10.1002/Chin.198313092 |
0.348 |
|
| 1980 |
Hilton PR, Nordholm S, Hush NS. Ground-state inversion method applied to calculation of molecular photoionization cross-sections by atomic extrapolation: Interference effects at low energies Journal of Electron Spectroscopy and Related Phenomena. 18: 101-119. DOI: 10.1016/0368-2048(80)80009-0 |
0.326 |
|
| 1979 |
Hush NS, Hiltont PR, Nordholm S. Calculation of atomic and molecular photoionization cross sections using the ground state inversion potential method Journal of Electron Spectroscopy and Related Phenomena. 15: 101-107. DOI: 10.1016/0368-2048(79)87019-X |
0.34 |
|
| 1979 |
John IG, Bacskay CB, Hush NS. Finite field method calculations. V. Raman scattering activities and infrared absorption intensities for H2O, D2O, CH4 and CD4 Chemical Physics. 38: 319-328. DOI: 10.1016/0301-0104(79)89006-0 |
0.307 |
|
| 1979 |
Hilton PR, Hordholm S, Hush NS. Photoionization cross section of water by an atomic extrapolation method Chemical Physics Letters. 64: 515-518. DOI: 10.1016/0009-2614(79)80235-3 |
0.332 |
|
| 1978 |
Taylor PR, Bacskay GB, Hush NS, Hurley AC. Unlinked cluster effects in molecular electronic structure. III. Potential curve for the CN ion and the adiabatic electron affinity of CN The Journal of Chemical Physics. 70: 4481-4490. DOI: 10.1063/1.437285 |
0.434 |
|
| 1978 |
Taylor PR, Bacskay GB, Hush NS, Hurley AC. Unlinked cluster effects in molecular electronic structure. I. The HCN and HNC molecules The Journal of Chemical Physics. 69: 1971-1979. DOI: 10.1063/1.436848 |
0.408 |
|
| 1978 |
Taylor PR, Bacskay GB, Hush NS, Hurley AC. Unlinked cluster effects in molecular electronic structure. II. Pair correlations in the molecules HCN and HNC The Journal of Chemical Physics. 69: 4669-4677. DOI: 10.1063/1.436420 |
0.38 |
|
| 1978 |
Gready JE, Bacskay GB, Hush NS. Calculation of electrostatic interaction energies in physisorption studies of ionic surfaces Journal of the Chemical Society, Faraday Transactions 2. 74: 1430. DOI: 10.1039/F29787401430 |
0.368 |
|
| 1978 |
Gready JE, Bacskay CB, Hush NS. Comparison of multipole moment expansions by direct summation or finite-field SCF methods with full electrostatic interaction energies: Application to CO and N2 Chemical Physics. 31: 375-390. DOI: 10.1016/0301-0104(78)85131-3 |
0.36 |
|
| 1978 |
Cribb PH, Nordholm S, Hush NS. Calculation of tunnelling and over-barrier decay rates by a generalised method of beats Chemical Physics. 29: 31-41. DOI: 10.1016/0301-0104(78)85058-7 |
0.318 |
|
| 1977 |
Hilton PR, Nordholm S, Hush NS. The ground state inversion potential method: Application to the calculation of photoionization cross sections The Journal of Chemical Physics. 67: 5213-5223. DOI: 10.1063/1.434698 |
0.342 |
|
| 1977 |
Süzer S, Hilton P, Hush N, Nordholm S. UV Subshell photoionisation cross-section of atomic Zn, Cd, and Hg: Experiment and theory Journal of Electron Spectroscopy and Related Phenomena. 12: 357-374. DOI: 10.1016/0368-2048(77)85088-3 |
0.311 |
|
| 1977 |
Gready JE, Bacskay GB, Hush NS. Finite-field method calculations of molecular polarisabilities. I. Theoretical basis and limitations of SCF and Galerkin treatments Chemical Physics. 22: 141-150. DOI: 10.1016/0301-0104(77)85217-8 |
0.339 |
|
| 1977 |
Hush NS, Cheung AS. Study of valence-level splitting in a porphin-type π-cation dimer by He(I) photoelectron spectroscopy Chemical Physics Letters. 47: 1-4. DOI: 10.1016/0009-2614(77)85293-7 |
0.392 |
|
| 1976 |
Beattie JK, Hush NS, Taylor PR. Electron delocalization in the mixed-valence .mu.-pyrazine-decaamminediruthenium(5+) ion Inorganic Chemistry. 15: 992-993. DOI: 10.1021/Ic50158A061 |
0.313 |
|
| 1976 |
Bacskay G, Hush N. Theoretical study of the N+2 molecular ion Chemical Physics. 16: 219-227. DOI: 10.1016/0301-0104(76)80057-2 |
0.319 |
|
| 1976 |
Taylor PR, Bacskay GB, Hush NS, Hurley AC. The coupled-pair approximation in a basis of independent-pair natural orbitals Chemical Physics Letters. 41: 444-449. DOI: 10.1016/0009-2614(76)85390-0 |
0.35 |
|
| 1975 |
Hush N, Cheung AS. Ionization potentials and donor properties of nucleic acid bases and related compounds Chemical Physics Letters. 34: 11-13. DOI: 10.1016/0009-2614(75)80190-4 |
0.384 |
|
| 1974 |
Hush NS, Dyke JM, Williams ML, Woolsey IS. Electronic spectra of metal corrole anions Journal of the Chemical Society-Dalton Transactions. 395-399. DOI: 10.1039/Dt9740000395 |
0.579 |
|
| 1974 |
Hush NS, Woolsey IS. Optical and electron spin resonance spectra of cobalt complexes related to vitamin B12 Journal of the Chemical Society-Dalton Transactions. 24-34. DOI: 10.1039/Dt9740000024 |
0.333 |
|
| 1974 |
Hush N, Dyke J. Current-potential relationships in the reduction of samarium and europium perchlorates in dimethyl-formamide at a dropping mercury electrode Journal of Electroanalytical Chemistry and Interfacial Electrochemistry. 53: 253-260. DOI: 10.1016/S0022-0728(74)80138-5 |
0.532 |
|
| 1974 |
Bacskay GB, Hush NS. Molecules in electric fields Theoretica Chimica Acta. 32: 311-320. DOI: 10.1007/Bf00526866 |
0.318 |
|
| 1974 |
HUSH NS, DYKE JM, WILLIAMS ML, WOOLSEY IS. ChemInform Abstract: ELECTRONIC SPECTRA OF METAL CORROLE ANIONS Chemischer Informationsdienst. 5. DOI: 10.1002/Chin.197416435 |
0.545 |
|
| 1973 |
Hush N, Dyke J. A polarographic investigation of some metal tetradehydrocorrins Journal of Inorganic and Nuclear Chemistry. 35: 4341-4347. DOI: 10.1016/0022-1902(73)80433-6 |
0.385 |
|
| 1972 |
Dyke J, Hush N. A spectroscopic study of Eu(III)/Eu(II) and Sm(III)/Sm(II) solutions in acetonitrile obtained by controlled-potential reduction Journal of Electroanalytical Chemistry and Interfacial Electrochemistry. 36: 337-347. DOI: 10.1016/S0022-0728(72)80256-0 |
0.392 |
|
| 1971 |
Linder RE, Rowlands JR, Hush N. Magnetic circular dichroism and theoretical studies of the excited states of magnesium phthalocyanine negative ions Molecular Physics. 21: 417-437. DOI: 10.1080/00268977100101601 |
0.325 |
|
| 1971 |
Dyke J, Hush N, Williams M, Woolsey I. Bond lengths and location of the inner-ring protons in the corrole molecule Molecular Physics. 20: 1149-1152. DOI: 10.1080/00268977100101131 |
0.527 |
|
| 1969 |
Hush N, Dyke J, Williams M, Woolsey I. Predicted bond lengths and π-electron distribution in the fully conjugated corrole ring Molecular Physics. 17: 559-560. DOI: 10.1080/00268976900101431 |
0.545 |
|
| 1967 |
Hush NS, Rowlands JR. Hyperfine structure in the electron spin resonance spectra of reduced porphins Journal of the American Chemical Society. 89: 2976-2979. DOI: 10.1021/Ja00988A031 |
0.311 |
|
| 1961 |
Hush NS. Adiabatic theory of outer sphere electron-transfer reactions in solution Transactions of the Faraday Society. 57: 557. DOI: 10.1039/Tf9615700557 |
0.321 |
|
| 1947 |
HUGHES GK, HUSH N, MELLOR DP. Polymerization of a Semiquinone Ion Nature. 159: 612-612. DOI: 10.1038/159612B0 |
0.31 |
|
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