| Year |
Citation |
Score |
| 2018 |
Misquitta AJ, Stone AJ. ISA-Pol: distributed polarizabilities and dispersion models from a basis-space implementation of the iterated stockholder atoms procedure Theoretical Chemistry Accounts. 137. DOI: 10.1007/S00214-018-2371-4 |
0.39 |
|
| 2017 |
Stone AJ, Szalewicz K. Reply to "Comment on: 'Natural Bond Orbitals and the Nature of the Hydrogen Bond' ". The Journal of Physical Chemistry. A. PMID 29211474 DOI: 10.1021/Acs.Jpca.7B09307 |
0.336 |
|
| 2017 |
Stone AJ. Natural Bond Orbitals and the Nature of the Hydrogen Bond. The Journal of Physical Chemistry. A. PMID 28151685 DOI: 10.1021/Acs.Jpca.6B12930 |
0.352 |
|
| 2017 |
LYNDEN-BELL RM, STONE AJ. A model with charges and polarizability for CS2 in an ionic liquid Journal of Chemical Sciences. 129: 883-890. DOI: 10.1007/S12039-017-1243-0 |
0.311 |
|
| 2016 |
Misquitta AJ, Stone AJ. Ab initio atom-atom potentials using CamCASP: Theory and application to many-body models for the pyridine dimer. Journal of Chemical Theory and Computation. PMID 27467814 DOI: 10.1021/Acs.Jctc.5B01241 |
0.405 |
|
| 2016 |
Van Vleet MJ, Misquitta AJ, Stone AJ, Schmidt JR. Beyond Born-Mayer: Improved models for short-range repulsion in ab initio force fields. Journal of Chemical Theory and Computation. PMID 27337546 DOI: 10.1021/Acs.Jctc.6B00209 |
0.384 |
|
| 2015 |
Xue L, Tamas G, Matthews RP, Stone AJ, Hunt PA, Quitevis EL, Lynden-Bell RM. An OHD-RIKES and simulation study comparing a benzylmethylimidazolium ionic liquid with an equimolar mixture of dimethylimidazolium and benzene. Physical Chemistry Chemical Physics : Pccp. 17: 9973-83. PMID 25783621 DOI: 10.1039/C5Cp00550G |
0.306 |
|
| 2014 |
Misquitta AJ, Stone AJ, Fazeli F. Distributed Multipoles from a Robust Basis-Space Implementation of the Iterated Stockholder Atoms Procedure. Journal of Chemical Theory and Computation. 10: 5405-18. PMID 26583224 DOI: 10.1021/Ct5008444 |
0.344 |
|
| 2013 |
Stone AJ. Are halogen bonded structures electrostatically driven? Journal of the American Chemical Society. 135: 7005-9. PMID 23581907 DOI: 10.1021/Ja401420W |
0.357 |
|
| 2011 |
Stone AJ. Electrostatic damping functions and the penetration energy. The Journal of Physical Chemistry. A. 115: 7017-27. PMID 21619003 DOI: 10.1021/Jp112251Z |
0.351 |
|
| 2010 |
Misquitta AJ, Spencer J, Stone AJ, Alavi A. Dispersion interactions between semiconducting wires Physical Review B - Condensed Matter and Materials Physics. 82. DOI: 10.1103/Physrevb.82.075312 |
0.318 |
|
| 2009 |
Stone AJ, Misquitta AJ. Charge-transfer in Symmetry-Adapted Perturbation Theory Chemical Physics Letters. 473: 201-205. DOI: 10.1016/J.Cplett.2009.03.073 |
0.388 |
|
| 2008 |
Welch GW, Karamertzanis PG, Misquitta AJ, Stone AJ, Price SL. Is the Induction Energy Important for Modeling Organic Crystals? Journal of Chemical Theory and Computation. 4: 522-32. PMID 26620792 DOI: 10.1021/Ct700270D |
0.551 |
|
| 2008 |
Misquitta AJ, Stone AJ, Price SL. Accurate Induction Energies for Small Organic Molecules. 2. Development and Testing of Distributed Polarizability Models against SAPT(DFT) Energies. Journal of Chemical Theory and Computation. 4: 19-32. PMID 26619976 DOI: 10.1021/Ct700105F |
0.578 |
|
| 2008 |
Misquitta AJ, Stone AJ. Accurate Induction Energies for Small Organic Molecules: 1. Theory. Journal of Chemical Theory and Computation. 4: 7-18. PMID 26619975 DOI: 10.1021/Ct700104T |
0.422 |
|
| 2008 |
Misquitta AJ, Stone AJ. Dispersion energies for small organic molecules: First row atoms Molecular Physics. 106: 1631-1643. DOI: 10.1080/00268970802258617 |
0.428 |
|
| 2008 |
Misquitta AJ, Welch GWA, Stone AJ, Price SL. A first principles prediction of the crystal structure of C6 Br2 ClFH2 Chemical Physics Letters. 456: 105-109. DOI: 10.1016/J.Cplett.2008.02.113 |
0.56 |
|
| 2007 |
Stone AJ, Misquitta AJ. Atom-atom potentials from ab initio calculations International Reviews in Physical Chemistry. 26: 193-222. DOI: 10.1080/01442350601081931 |
0.397 |
|
| 2006 |
Misquitta AJ, Stone AJ. Distributed polarizabilities obtained using a constrained density-fitting algorithm. The Journal of Chemical Physics. 124: 024111. PMID 16422575 DOI: 10.1063/1.2150828 |
0.35 |
|
| 2005 |
Stone AJ. Distributed Multipole Analysis: Stability for Large Basis Sets. Journal of Chemical Theory and Computation. 1: 1128-32. PMID 26631656 DOI: 10.1021/Ct050190+ |
0.371 |
|
| 2004 |
Nutt DR, Stone AJ. Ice nucleation on a model hexagonal surface. Langmuir : the Acs Journal of Surfaces and Colloids. 20: 8715-20. PMID 15379497 DOI: 10.1021/La048958L |
0.302 |
|
| 2004 |
Williams GJ, Stone AJ. Transferable polarizabilities for the alkanes Molecular Physics. 102: 985-991. DOI: 10.1080/00268970410001723000 |
0.355 |
|
| 2003 |
Williams GJ, Stone AJ. Distributed dispersion: A new approach Journal of Chemical Physics. 119: 4620-4628. DOI: 10.1063/1.1594722 |
0.325 |
|
| 2002 |
Nutt DR, Stone AJ. Adsorption of water on the BaF2(111) surface Journal of Chemical Physics. 117: 800-807. DOI: 10.1063/1.1484377 |
0.304 |
|
| 2000 |
Hodges MP, Stone AJ. A new representation of the dispersion interaction Molecular Physics. 98: 275-286. DOI: 10.1080/00268970009483291 |
0.363 |
|
| 2000 |
Engkvist O, Price SL, Stone AJ. Developments in computational studies of crystallization and morphology applied to urea Physical Chemistry Chemical Physics. 2: 3017-3027. DOI: 10.1039/A910352J |
0.56 |
|
| 2000 |
Stone AJ, Tantirungrotechai Y, Buckingham AD. The dielectric virial coefficient and model intermolecular potentials Physical Chemistry Chemical Physics. 2: 429-434. DOI: 10.1039/A905990C |
0.312 |
|
| 1999 |
Engkvist O, Stone AJ. Adsorption of water on NaCl(001). I. Intermolecular potentials and low temperature structures The Journal of Chemical Physics. 110: 12089-12096. DOI: 10.1063/1.479144 |
0.357 |
|
| 1999 |
Hodges MP, Stone AJ. Modeling small hydronium–water clusters Journal of Chemical Physics. 110: 6766-6772. DOI: 10.1063/1.478580 |
0.373 |
|
| 1999 |
Engkvist O, Stone AJ. Adsorption of water on the MgO(001) surface Surface Science. 437: 239-248. DOI: 10.1016/S0039-6028(99)00730-X |
0.348 |
|
| 1998 |
Millot C, Soetens JC, Martins Costa MTC, Hodges MP, Stone AJ. Revised anisotropic site potentials for the water dimer and calculated properties Journal of Physical Chemistry A. 102: 754-770. DOI: 10.1021/Jp972578+ |
0.411 |
|
| 1998 |
Hodges MP, Stone AJ, Lago EC. Analytical potentials for HF dimer and larger HF clusters from ab initio calculations Journal of Physical Chemistry A. 102: 2455-2465. DOI: 10.1021/Jp972148J |
0.423 |
|
| 1998 |
Meredith AW, Stone AJ. An ab initio and diffusion monte carlo study of the potential energy surface of the CO dimer Journal of Physical Chemistry A. 102: 434-445. DOI: 10.1021/Jp972114B |
0.407 |
|
| 1997 |
Stone AJ, Buckingham AD, Fowler PW. Comment on “Structure and spectroscopy of (HCN)n clusters: Cooperative and electronic delocalization effects in C–H⋯N hydrogen bonding” [J. Chem. Phys.103, 333 (1995)] The Journal of Chemical Physics. 107: 1030-1031. DOI: 10.1063/1.474471 |
0.332 |
|
| 1997 |
Hodges MP, Stone AJ, Xantheas SS. Contribution of many-body terms to the energy for small water clusters: A comparison of ab initio calculations and accurate model potentials Journal of Physical Chemistry A. 101: 9163-9168. DOI: 10.1021/Jp9716851 |
0.412 |
|
| 1996 |
Stone AJ, Hättig C, Jansen G, Ángyán JG. Transferability of topologically partitioned polarizabilities: The case of n-alkanes Molecular Physics. 89: 595-605. DOI: 10.1080/002689796173930 |
0.35 |
|
| 1996 |
Berg O, Ewing GE, Meredith AW, Stone AJ. An amorphous monolayer: Infrared spectroscopic and theoretical studies of so2 on NaCl (100) Journal of Chemical Physics. 104: 6843-6855. DOI: 10.1063/1.471351 |
0.329 |
|
| 1996 |
Meredith AW, Stone AJ. A perturbation theory study of adlayer CO on NaCl(100) The Journal of Chemical Physics. 104: 3058-3070. DOI: 10.1063/1.471072 |
0.411 |
|
| 1996 |
Koch U, Stone AJ. Conformational dependence of the molecular charge distribution and its influence on intermolecular interactions Journal of the Chemical Society - Faraday Transactions. 92: 1701-1708. DOI: 10.1039/Ft9969201701 |
0.396 |
|
| 1996 |
Lommerse JPM, Stone AJ, Taylor R, Allen FH. The nature and geometry of intermolecular interactions between halogens and oxygen or nitrogen Journal of the American Chemical Society. 118: 3108-3116. DOI: 10.1021/Ja953281X |
0.367 |
|
| 1995 |
Wales DJ, Popelier PLA, Stone AJ. Potential energy surfaces of van der Waals complexes of water and hydrogen halides modeled using distributed multipoles The Journal of Chemical Physics. 102: 5551-5565. DOI: 10.1063/1.469284 |
0.575 |
|
| 1995 |
Wales DJ, Stone AJ, Popelier PLA. Potential energy surfaces of several van der Waals complexes modelled using distributed multipoles Chemical Physics Letters. 240: 89-96. DOI: 10.1016/0009-2614(95)00497-R |
0.557 |
|
| 1995 |
Koch U, Popelier PLA, Stone AJ. Conformational dependence of atomic multipole moments Chemical Physics Letters. 238: 253-260. DOI: 10.1016/0009-2614(95)00389-L |
0.383 |
|
| 1994 |
Ruth Le Sueur C, Stone AJ. Localization methods for distributed polarizabilities Molecular Physics. 83: 293-307. DOI: 10.1080/00268979400101261 |
0.317 |
|
| 1994 |
Popelier P, Stone A. Formulae for the first and second derivatives of anisotropie potentials with respect to geometrical parameters Molecular Physics. 82: 411-425. DOI: 10.1080/00268979400100314 |
0.34 |
|
| 1994 |
Popelier PLA, Stone AJ, Wales DJ. Topography of potential-energy surfaces for Van der Waals complexes Faraday Discussions. 97: 243-264. DOI: 10.1039/Fd9949700243 |
0.533 |
|
| 1994 |
Stone AJ, Tong C-. Anisotropy of atom-atom repulsions Journal of Computational Chemistry. 15: 1377-1392. DOI: 10.1002/Jcc.540151208 |
0.328 |
|
| 1993 |
Ruth Le Sueur C, Stone AJ. Practical schemes for distributed polarizabilities Molecular Physics. 78: 1267-1291. DOI: 10.1080/00268979300100841 |
0.305 |
|
| 1993 |
Picaud S, Hoang P, Girardet C, Meredith A, Stone A. Theoretical study of the monolayer structures of CO adsorbed on NaCl(100) Surface Science. 294: 149-160. DOI: 10.1016/0039-6028(93)90168-J |
0.372 |
|
| 1993 |
Stone AJ. Computation of charge-transfer energies by perturbation theory Chemical Physics Letters. 211: 101-109. DOI: 10.1016/0009-2614(93)80058-W |
0.343 |
|
| 1992 |
Rodger PM, Stone AJ, Tildesley DJ. Anisotropic site-site potentials in molecular dynamics Molecular Simulation. 8: 145-164. DOI: 10.1080/08927029208022473 |
0.312 |
|
| 1992 |
McDowell SAC, Le Sueur CR, Buckingham AD, Stone AJ. Using monomer properties to obtain integrated intensities for vibrational transitions of van der waals complexes Molecular Physics. 77: 823-835. DOI: 10.1080/00268979200102801 |
0.355 |
|
| 1992 |
Millot C, Stone AJ. Towards an accurate intermolecular potential for water Molecular Physics. 77: 439-462. DOI: 10.1080/00268979200102541 |
0.406 |
|
| 1992 |
Bone RGA, Le Sueur CR, Amos RD, Stone AJ. Stationary points on the potential energy surfaces of (SO2) 2 and (SO2)3 The Journal of Chemical Physics. 96: 8390-8410. DOI: 10.1063/1.462292 |
0.398 |
|
| 1992 |
Price SL, Stone AJ. Electrostatic models for polypeptides: Can we assume transferability? Journal of the Chemical Society, Faraday Transactions. 88: 1755-1763. DOI: 10.1039/Ft9928801755 |
0.576 |
|
| 1991 |
Bone RGA, Rowlands TW, Handy NC, Stone AJ. Transition states from molecular symmetry groups: Analysis of non-rigid acetylene trimer Molecular Physics. 72: 33-73. DOI: 10.1080/00268979100100021 |
0.336 |
|
| 1991 |
Stone A. The calculation of intermolecular potentials Journal De Chimie Physique. 88: 2517-2517. DOI: 10.1063/1.41356 |
0.387 |
|
| 1991 |
Le Sueur CR, Stone AJ, Fowler PW. Induced dipole moments in acetylene complexes Journal of Physical Chemistry. 95: 3519-3522. DOI: 10.1021/J100162A017 |
0.352 |
|
| 1989 |
Wales DJ, Stone AJ. Bonding in transition-metal clusters Inorganic Chemistry. 28: 3120-3127. DOI: 10.1021/Ic00315A011 |
0.43 |
|
| 1989 |
Stone AJ. Assessment of multipolar approximations to the induction energy Chemical Physics Letters. 155: 111-118. DOI: 10.1016/S0009-2614(89)87369-5 |
0.401 |
|
| 1989 |
Stone AJ. The induction energy of an assembly of polarizable molecules Chemical Physics Letters. 155: 102-110. DOI: 10.1016/S0009-2614(89)87368-3 |
0.389 |
|
| 1989 |
Stone A, Tong C. Local and non-local dispersion models Chemical Physics. 137: 121-135. DOI: 10.1016/0301-0104(89)87098-3 |
0.314 |
|
| 1988 |
Mark Rodger P, Stone AJ, Tildesley DJ. The intermolecular potential of chlorine a three phase study Molecular Physics. 63: 173-188. DOI: 10.1080/00268978800100151 |
0.332 |
|
| 1988 |
Stone AJ, Price SL. Some new ideas in the theory of intermolecular forces: anisotropic atom-atom potentials The Journal of Physical Chemistry. 92: 3325-3335. DOI: 10.1021/J100323A006 |
0.535 |
|
| 1988 |
Rodger PM, Stone AJ, Tildesley DJ. Intermolecular interactions in halogens: Bromine and iodine Chemical Physics Letters. 145: 365-370. DOI: 10.1016/0009-2614(88)80191-X |
0.341 |
|
| 1987 |
Stone AJ, Wales DJ. A new structural tensor surface harmonic bonding theory Molecular Physics. 61: 747-765. DOI: 10.1080/00268978700101431 |
0.528 |
|
| 1987 |
Price SL, Stone AJ. The electrostatic interactions in van der Waals complexes involving aromatic molecules The Journal of Chemical Physics. 86: 2859-2868. DOI: 10.1063/1.452037 |
0.601 |
|
| 1987 |
Rodger PM, Stone AJ, Tildesley DJ. Atomic anisotropy and the structure of liquid chlorine Journal of the Chemical Society, Faraday Transactions 2: Molecular and Chemical Physics. 83: 1689-1702. DOI: 10.1039/F29878301689 |
0.328 |
|
| 1987 |
Wales DJ, Stone AJ. Theoretical study of rearrangements in boranes Inorganic Chemistry. 26: 3845-3850. DOI: 10.1021/Ic00270A006 |
0.452 |
|
| 1986 |
Buckingham AD, Fowler PW, Stone AJ. Electrostatic predictions of shapes and properties of van der waals molecules International Reviews in Physical Chemistry. 5: 107-114. DOI: 10.1080/01442358609353370 |
0.358 |
|
| 1986 |
Stone A, Wales D. Theoretical studies of icosahedral C60 and some related species Chemical Physics Letters. 128: 501-503. DOI: 10.1016/0009-2614(86)80661-3 |
0.447 |
|
| 1986 |
Hurst GJB, Fowler PW, Stone AJ, Buckingham AD. Intermolecular forces in van der waals dimers International Journal of Quantum Chemistry. 29: 1223-1239. DOI: 10.1002/Qua.560290520 |
0.392 |
|
| 1985 |
Stone AJ, Alderton M. Distributed multipole analysis methods and applications Molecular Physics. 56: 1047-1064. DOI: 10.1080/00268970110089432 |
0.317 |
|
| 1984 |
Price SL, Stone AJ. A new scheme for modeling intermolecular forces in crystal structures: a six-site transferable potential scheme for the azabenzene molecules Acta Crystallographica Section a Foundations of Crystallography. 40: C111-C111. DOI: 10.1107/S0108767384096598 |
0.452 |
|
| 1984 |
Hayes IC, Hurst GJB, Stone AJ. Intermolecular perturbation theory applications to HeBe, ArHF, ArHCl and NeH2 Molecular Physics. 53: 107-127. DOI: 10.1080/00268978400102161 |
0.387 |
|
| 1984 |
Hayes IC, Stone AJ. An intermolecular perturbation theory for the region of moderate overlap Molecular Physics. 53: 83-105. DOI: 10.1080/00268978400102151 |
0.378 |
|
| 1984 |
Price SL, Stone AJ, Alderton M. Explicit formulae for the electrostatic energy, forces and torques between a pair of molecules of arbitrary symmetry Molecular Physics. 52: 987-1001. DOI: 10.1080/00268978400101721 |
0.556 |
|
| 1984 |
Price SL, Stone AJ. A six-site intermolecular potential scheme for the azabenzene molecules, derived by crystal structure analysis Molecular Physics. 51: 569-583. DOI: 10.1080/00268978400100401 |
0.547 |
|
| 1984 |
Stone A, Tough R. Spherical tensor theory of long-range intermolecular forces Chemical Physics Letters. 110: 123-129. DOI: 10.1016/0009-2614(84)80160-8 |
0.384 |
|
| 1983 |
Price SL, Stone AJ. A distributed multipole analysis of the charge densities of the azabenzene molecules Chemical Physics Letters. 98: 419-423. DOI: 10.1016/0009-2614(83)80079-7 |
0.531 |
|
| 1982 |
Price SL, Stone AJ. The anisotropy of the C12-C12 pair potential as shown by the crystal structure evidence for intermolecular bonding or lone pair effects? Molecular Physics. 47: 1457-1470. DOI: 10.1080/00268978200101092 |
0.569 |
|
| 1982 |
Stone AJ, Hayes IC. Intermolecular perturbation theory for Van der Waals molecules Faraday Discussions of the Chemical Society. 73: 19-31. DOI: 10.1039/Dc9827300019 |
0.403 |
|
| 1981 |
Stone A. Distributed multipole analysis, or how to describe a molecular charge distribution Chemical Physics Letters. 83: 233-239. DOI: 10.1016/0009-2614(81)85452-8 |
0.31 |
|
| 1980 |
Stone AJ. A new approach to bonding in transition metal clusters theory Molecular Physics. 41: 1339-1354. DOI: 10.1080/00268978000103581 |
0.37 |
|
| 1980 |
Price SL, Stone AJ. Evaluation of anisotropic model intermolecular pair potentials using an ab initio SCF-CI surface Molecular Physics. 40: 805-822. DOI: 10.1080/00268978000101901 |
0.558 |
|
| 1980 |
Stone A. Simple qualitative molecular orbital theory Nature. 283: 413. DOI: 10.1038/283413B0 |
0.323 |
|
| 1979 |
Price SL, Stone AJ. Correction for basis superposition error in correlated wavefunctions Chemical Physics Letters. 65: 127-131. DOI: 10.1016/0009-2614(79)80141-4 |
0.528 |
|
| 1977 |
Stone AJ. Molecular potential energy surfaces Nature. 267: 294-294. DOI: 10.1038/267294B0 |
0.31 |
|
| 1976 |
Stone AJ. Spin-Orbit Coupling and the Intersection of Potential Energy Surfaces in Polyatomic Molecules Proceedings of the Royal Society a: Mathematical, Physical and Engineering Sciences. 351: 141-150. DOI: 10.1098/Rspa.1976.0134 |
0.325 |
|
| 1974 |
Davies PB, Wayne FD, Stone AJ. The gas-phase electron paramagnetic resonance spectrum of vibrationally excited so radicals Molecular Physics. 28: 1409-1422. DOI: 10.1080/00268977400102691 |
0.322 |
|
| 1971 |
Kearns DR, Stone AJ. Excited-state intermolecular interactions involving paramagnetic molecules: Effect of spin-spin and spin-orbit interactions on the quenching of triplets The Journal of Chemical Physics. 55: 3471-3482. DOI: 10.1063/1.1676589 |
0.33 |
|
| 1967 |
Armour EAG, Stone AJ. Calculation of the n.m.r. Spin-Spin Coupling Constants in Ethylene Proceedings of the Royal Society a: Mathematical, Physical and Engineering Sciences. 302: 25-34. DOI: 10.1098/Rspa.1967.0224 |
0.305 |
|
| 1965 |
Stone AJ, Carrington A. Temperature variation of proton hyperfine splittings in amino groups Transactions of the Faraday Society. 61: 2593-2596. DOI: 10.1039/Tf9656102593 |
0.456 |
|
| 1964 |
Stone AJ. Computation of character tables for nonrigid molecules The Journal of Chemical Physics. 41: 1568-1579. DOI: 10.1063/1.1726124 |
0.324 |
|
| 1962 |
Longuet-Higgins HC, Stone AJ. The electronic structure and electron spin resonance of tricyclopentadienyl trinickel dicarbonyl Molecular Physics. 5: 417-424. DOI: 10.1080/00268976200100471 |
0.561 |
|
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