Molecular Physics

Correlation between molecular chirality and helical twisting power: a computer simulation study
pp. 335-357(23)
Authors: Kamberaj, H.; Low, R. J.; Neal, M. P.

Logarithmic interaction under periodic boundary conditions: closed form formulas for energy and forces
pp. 359-363(5)
Author: Tyagi, Sandeep

Comparison between valence bond and communication theories of the chemical bond in H 2
pp. 365-375(11)
Author: Nalewajski, R. F.

Simple(r) algebraic equation for transition moments of fundamental transitions in vibrational second-order perturbation theory
pp. 377-388(12)
Authors: VÁZquez, Juana; Stanton, John F.

Calibration of a computational scheme for solvation studies: halide ions bound to water X(H 2 O) − (X=F, Cl, Br)
pp. 389-394(6)
Authors: Viswanathan, B.; Barden, C. J.; Boyd, R. J.

First-order interaction energies and the basis set truncation effects
pp. 395-407(13)
Authors: Kaczmarek, Anna; Sadlej, Andrzej J.; Leszczynski, Jerzy

Oxygen-dependent photochemistry of fluorescent dyes studied at the single molecule level
pp. 409-414(6)
Authors: Renn, Alois; Seelig, Johannes; Sandoghdar, Vahid

The multiple time step r-RESPA procedure and polarizable potentials based on induced dipole moments
pp. 415-428(14)
Author: Masella, Michel

The X 2 Π and A 2 Σ + states of FH + , ClH + and BrH + : theoretical study of their g -factors and fine/hyperfine structures
pp. 429-446(18)
Authors: Bruna, Pablo J.; Grein, Friedrich

Structures and stabilities of the donor-acceptor complexes HXPY (X=Al, B; Y=H, F, OH)
pp. 447-452(6)
Authors: Yin, Ping; Qu, Rongjun; Zheng, Hegen; Yin, Gui; Tang, Qinghua

Equilibrium molecular energies used to obtain molecular dissociation energies and heats of formation within the bond-order correlation approach
pp. 453-461(9)
Authors: Grassi, A.; Lombardo, G. M.; Forte, G.; Angilella, G. G. N.; Pucci, R.; March, N. H.

Jahn-Teller distortions considered as steady state bifurcations
pp. 463-465(3)
Author: King, R. B.

Quantum Monte Carlo study of small hydrocarbon atomization energies
pp. 467-475(9)
Authors: KOLLIAS, A. C.; DOMIN, D.; HILL, G.; Frenklach, M.; Lester jr, W. A.

Acetonitrile revisited: a molecular dynamics study of the liquid phase
pp. 477-483(7)
Authors: Gee, P. J.; van Gunsteren, W. F.