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  • Currently displaying 19321 - 19340 of 29882 publications
Author(s)
Publication title
Journal Name
Publication year
Dipole polarizability formulae
D Bishop, LM Cheung, AD Buckingham
Molecular Physics
(2006)
41
Motional narrowing in the v1/2v2 fermi resonance diad of CO2
J Baran, A Grofcsik, WJ Jones
Molecular Physics
(2006)
45
A variational method for the calculation of vibrational levels of any triatomic molecule
S Carter, NC Handy
Molecular Physics
(2006)
47
A Monte Carlo study of semi-dilute hard sphere mixtures
PH Fries, J-P Hansen
Molecular Physics
(2006)
48
A variational method for the calculation of ro-vibronic levels of any orbitally degenerate (Renner-Teller) triatomic molecule
S Carter, NC Handy
Molecular Physics
(2006)
52
An experiment in crystal structure prediction by popular vote
GM Day, WDS Motherwell
Crystal Growth & Design
(2006)
6
Free energy calculations for solid solutions by computer simulations
WGT Kranendonk, D Frenkel
Molecular Physics
(2006)
72
A new approach to bonding in transition metal clusters
AJ Stone
Molecular Physics
(2006)
41
Ubiquitin: A Small Protein Folding Paradigm
SE Jackson
ChemInform
(2006)
37
Theory and applications of spin-restricted open-shell Møller-Plesset theory
DJ Tozer, NC Handy, RD Amos, JA Pople, RH Nobes, Y Xie, HF Schaefer
Molecular Physics
(2006)
79
Calculations of the ro-vibrational absorption transition probabilities in triatomic molecules
S Carter, J Senekowitsch, NC Handy, P Rosmus
Molecular Physics
(2006)
65
The anisotropy of the Cl2−Cl2pair potential as shown by the crystal structure Evidence for intermolecular bonding or lone pair effects?
SL Price, AJ Stone
Molecular Physics
(2006)
47
Evaluation of anisotropic model intermolecular pair potentials using an ab initio SCF-CI surface
SL Price, AJ Stone
Molecular Physics
(2006)
40
Solid-solid and liquid-solid phase equilibria for the restricted primitive model
B Smit, K Esselink, D Frenkel
Molecular Physics
(2006)
87
A 6-SITE INTERMOLECULAR POTENTIAL SCHEME FOR THE AZABENZENE MOLECULES, DERIVED BY CRYSTAL-STRUCTURE ANALYSIS
SL Price, AJ Stone
Molecular Physics
(2006)
51
2-GROUP MODEL FOR RAYLEIGH AND RAMAN CIRCULAR INTENSITY DIFFERENTIAL-FORMULATION FOR GENERAL GEOMETRIES
AJ Stone
Molecular Physics
(2006)
33
Raman spectra of asymmetric top molecules
RB Foster, GW Hills, WJ Jones
Molecular Physics
(2006)
33
Symmetry rules for the indirect nuclear spin-spin coupling tensor revisited
AD Buckingham, P Pyykkö, JB Robert, L Wiesenfeld
Molecular Physics
(2006)
46
Raman spectra of asymmetric top molecules. Part IV. Vibration-rotation selection rules and general band contours
GW Hills, RB Foster, WJ Jones
Molecular Physics
(2006)
33
Monte Carlo study of the isotropic and nematic phases of infinitely thin hard platelets
R Eppenga, D Frenkel
Molecular Physics
(2006)
52