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  • Currently displaying 19301 - 19320 of 29676 publications
Author(s)
Publication title
Journal Name
Publication year
Chemical shift calculations for carbon, nitrogen and oxygen in simple molecules
A Velenik, RM Lynden-Bell
Molecular Physics
(2006)
19
Matrix elements between determinantal wavefunctions of non-orthogonal orbitals
IC Hayes, AJ Stone
Molecular Physics
(2006)
53
An intermolecular perturbation theory for the region of moderate overlap
IC Hayes, AJ Stone
Molecular Physics
(2006)
53
Spin-orbit interactions from self consistent field wavefunctions
MJ Bearpark, NC Handy, P Palmieri, R Tarroni
Molecular Physics
(2006)
80
A study of the induced dipole moments in Li+F- and Li+ … Ne
SAC McDowell, AD Buckingham
Molecular Physics
(2006)
80
Formulae for the first and second derivatives of anisotropie potentials with respect to geometrical parameters
PLA Popelier, AJ Stone
Molecular Physics
(2006)
82
Intermolecular perturbation theory
IC Hayes, GJB Hurst, AJ Stone
Molecular Physics
(2006)
53
A Monte Carlo study of semi-dilute hard sphere mixtures
PH Fries, J-P Hansen
Molecular Physics
(2006)
48
Raman spectra of asymmetric top molecules
GW Hills, RB Foster, WJ Jones
Molecular Physics
(2006)
33
Raman spectra of asymmetric top molecules
RB Foster, GW Hills, WJ Jones
Molecular Physics
(2006)
33
2-GROUP MODEL FOR RAYLEIGH AND RAMAN CIRCULAR INTENSITY DIFFERENTIAL-FORMULATION FOR GENERAL GEOMETRIES
AJ Stone
Molecular Physics
(2006)
33
The pair polarizability anisotropy of SF6in the point-atom-polarizability approximation
AD Buckingham, KLC Hunt
Molecular Physics
(2006)
40
Evaluation of anisotropic model intermolecular pair potentials using anab initioSCF-CI surface
SL Price, AJ Stone
Molecular Physics
(2006)
40
A new approach to bonding in transition metal clusters
AJ Stone
Molecular Physics
(2006)
41
Dipole polarizability formulae
D Bishop, LM Cheung, AD Buckingham
Molecular Physics
(2006)
41
Motional narrowing in the v 1/2v 2 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
THE ANISOTROPY OF THE CL2-CL2 PAIR POTENTIAL AS SHOWN BY THE CRYSTAL-STRUCTURE - EVIDENCE FOR INTERMOLECULAR BONDING OR LONE PAIR EFFECTS
SL Price, AJ Stone
Molecular Physics
(2006)
47
Symmetry rules for the indirect nuclear spin-spin coupling tensor revisited
AD Buckingham, P Pyykkö, JB Robert, L Wiesenfeld
Molecular Physics
(2006)
46
A rescaled MSA structure factor for dilute charged colloidal dispersions
J-P Hansen, JB Hayter
Molecular Physics
(2006)
46