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- Currently displaying 18901 - 18920 of 29458 publications
A study of vibrational dephasing of theA1modes of CH3CN in a computer simulation of the liquid phase
– Molecular Physics
(2006)
60,
1189
(doi: 10.1080/00268978700100791)
Approximate relation between the melting of hard spheres and ellipsoidal platelets and needles
– Molecular Physics
(2006)
54,
145
(doi: 10.1080/00268978500100121)
Free energy calculations for solid solutions by computer simulations
– Molecular Physics
(2006)
72,
699
(doi: 10.1080/00268979100100511)
Ubiquitin: A Small Protein Folding Paradigm
– ChemInform
(2006)
37,
no
(doi: 10.1002/chin.200637259)
An Experiment in Crystal Structure Prediction by Popular Vote
– Crystal Growth and Design
(2006)
6,
1985
(doi: 10.1021/cg060313r)
A new approach to bonding in transition metal clusters
– Molecular Physics
(2006)
41,
1339
(doi: 10.1080/00268978000103581)
Desolvation tips the balance: solvent effects on aromatic interactions
– Chem Commun (Camb)
(2006)
3806
(doi: 10.1039/b608165g)
A variational method for the calculation of ro-vibronic levels of any orbitally degenerate (Renner-Teller) triatomic molecule
– Molecular Physics
(2006)
52,
1367
(doi: 10.1080/00268978400101981)
Ray scattering study of the effect of hydration on the cross-β structure of amyloid fibrils
– Journal of the American Chemical Society
(2006)
128,
11738
(doi: 10.1021/ja063751v)
Computer simulation of solid-liquid coexistence in binary hard sphere mixtures
– Molecular Physics
(2006)
72,
679
(doi: 10.1080/00268979100100501)
Molecular motion in a model of liquid acetonitrile
– Molecular Physics
(2006)
51,
761
(doi: 10.1080/00268978400100501)
A rescaled MSA structure factor for dilute charged colloidal dispersions
– Molecular Physics
(2006)
46,
651
(doi: 10.1080/00268978200101471)
The stability of the AB 13 crystal in a binary hard sphere system
– Molecular Physics
(2006)
79,
105
(doi: 10.1080/00268979300101101)
Coexistence in small inert gas clusters
– Molecular Physics
(2006)
78,
151-171
(doi: 10.1080/00268979300100141)
Exchange functionals and potentials
– Molecular Physics
(2006)
87,
1
(doi: 10.1080/00268979600100011)
Simulation of the adhesive-hard-sphere model
– Molecular Physics
(2006)
64,
403
(doi: 10.1080/00268978800100303)
Evaluation of anisotropic model intermolecular pair potentials using an ab initio SCF-CI surface
– Molecular Physics
(2006)
40,
805
(doi: 10.1080/00268978000101901)
Quadrature schemes for integrals of density functional theory
– Molecular Physics
(2006)
78,
997
(doi: 10.1080/00268979300100651)
Explicit formulae for the electrostatic energy, forces and torques between a pair of molecules of arbitrary symmetry
– Molecular Physics
(2006)
52,
987
(doi: 10.1080/00268978400101721)