31 |
Determination of distributed polarizabilities from a statistical analysis of induction energies Dehez F, Soetens JC, Chipot C, Angyan JG, Millot C Journal of Physical Chemistry A, 104(6), 1293, 2000 |
32 |
Structures, vibrational frequencies, and normal modes of substituted azo dyes: Infrared, Raman, and density functional calculations Biswas N, Umapathy S Journal of Physical Chemistry A, 104(12), 2734, 2000 |
33 |
Polarizable model potential function for ion-methanol systems Nakagawa S Journal of Physical Chemistry A, 104(22), 5281, 2000 |
34 |
Free energies of solvation with quantum mechanical interaction energies from classical mechanical simulations Wood RH, Yezdimer EM, Sakane S, Barriocanal JA, Doren DJ Journal of Chemical Physics, 110(3), 1329, 1999 |
35 |
Effect of uniform electric field on homogeneous vapor-liquid nucleation and phase equilibria. II. Extended simple point charge model water Gao GT, Oh KJ, Zeng XC Journal of Chemical Physics, 110(5), 2533, 1999 |
36 |
Density functional calculation of structure and vibrational spectra of polyenes Schettino V, Gervasio FL, Cardini G, Salvi PR Journal of Chemical Physics, 110(6), 3241, 1999 |
37 |
Reversible molecular dynamics for rigid bodies and hybrid Monte Carlo Matubayasi N, Nakahara M Journal of Chemical Physics, 110(7), 3291, 1999 |
38 |
Determination of a methane intermolecular potential model for use in molecular simulations from ab initio calculations Rowley RL, Pakkanen T Journal of Chemical Physics, 110(7), 3368, 1999 |
39 |
Vibrational spectroscopic study of a series of alpha,alpha '-diethyl end-capped oligothiophenes with different chain lengths in the neutral state Casado J, Hotta S, Hernandez V, Navarrete JTL Journal of Physical Chemistry A, 103(7), 816, 1999 |
40 |
Dissociation energies and kinetics of aminopyrimidinium radicals by ab initio and density functional theory Turecek F, Wolken JK Journal of Physical Chemistry A, 103(12), 1905, 1999 |