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- Currently displaying 18981 - 19000 of 29542 publications
An Experiment in Crystal Structure Prediction by Popular Vote
– Crystal Growth & Design
(2006)
6,
1985
(doi: 10.1021/cg060313r)
Free energy calculations for solid solutions by computer simulations
– Molecular Physics
(2006)
72,
699
(doi: 10.1080/00268979100100511)
THE STABILITY OF THE AB13 CRYSTAL IN A BINARY HARD-SPHERE SYSTEM
– Molecular Physics
(2006)
79,
105
(doi: 10.1080/00268979300101101)
Computer simulation of solid-liquid coexistence in binary hard sphere mixtures
– Molecular Physics
(2006)
72,
679
(doi: 10.1080/00268979100100501)
Ray scattering study of the effect of hydration on the cross-beta structure of amyloid fibrils
– Journal of the American Chemical Society
(2006)
128,
11738
(doi: 10.1021/ja063751v)
Coexistence in small inert gas clusters
– Mol. Phys.
(2006)
78,
151-171
(doi: 10.1080/00268979300100141)
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)
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)
Molecular motion in a model of liquid acetonitrile
– Molecular Physics
(2006)
51,
761
(doi: 10.1080/00268978400100501)
Desolvation tips the balance: solvent effects on aromatic interactions.
– Chemical communications (Cambridge, England)
(2006)
3806
(doi: 10.1039/b608165g)
A rescaled MSA structure factor for dilute charged colloidal dispersions
– Molecular Physics
(2006)
46,
651
(doi: 10.1080/00268978200101471)
A variational method for the calculation of vibrational levels of any triatomic molecule
– Molecular Physics
(2006)
47,
1445
(doi: 10.1080/00268978200101082)
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)
Analysis of translation-rotation coupling in an orientationally disordered ionic crystal
– Molecular Physics
(2006)
48,
1093
(doi: 10.1080/00268978300100781)
Motional narrowing in the v 1/2v 2 Fermi resonance diad of CO2
– Molecular Physics
(2006)
45,
1291
(doi: 10.1080/00268978200101001)
Quadrature schemes for integrals of density functional theory
– Molecular Physics
(2006)
78,
997
(doi: 10.1080/00268979300100651)
The vibrational levels of C2H2using an internal coordinate vibrational hamiltonian
– Molecular Physics
(2006)
53,
1033
(doi: 10.1080/00268978400102831)
A Monte Carlo study of semi-dilute hard sphere mixtures
– Molecular Physics
(2006)
48,
891
(doi: 10.1080/00268978300100641)