Molecular Physics

1H, 19F and 2H NMR of monofluoromethane and deuterated analogues partially oriented in nematic liquid crystals
pp. 1-20(20)
Authors: Barnhoorn, J. B. S.; Lange, C. A. De

Quantum calculations of inelastic scattering of HCN and HNC by Ar
pp. 21-32(12)
Authors: Bowman, Joel M.; Padmavathi, D. Annapurna

Quantum simulation of the benzene-water complex
pp. 33-52(20)
Authors: Gregory, Jonathon K.; Clary, David C.

Radiative and radiationless decay of multichannel resonances resulting from electronically non-adiabatic interactions: a computational approach valid for both narrow and broad line-widths and large energy shifts
pp. 53-68(16)
Authors: Han, Seungsuk; Yarkony, David R.

Intermolecular interaction energies by topologically partitioned electric properties. 1. Electrostatic and induction energies in one-centre and multicentre multipole expansions
pp. 69-92(24)
Authors: Jansen, Georg; Hattig, Christof; Hess, Bernd A.; Angyan, Janos G.

Dioxirane vibrational frequencies: an unsettling relationship between theory and experiment
pp. 93-104(12)
Authors: Kraka, Elfi; Cremer, Dieter; Kim, Seung-Joon; Schaefer, Henry F.

An ab initio calculation of the rovibronic energies of the BH2 molecule
pp. 105-124(20)
Authors: Kolbuszewski, M.; Bunker, P. R.; Osmann, Gerald; Jensen, Per; Kraemer, W. P.

Solvent effects on the optical limiting action of C60 solutions
pp. 125-133(9)
Authors: Koudoumas, E.; Ruth, A. A.; Couris, S.; Leach, S.

Ab initio molecular dynamics study of dilute hydrofluoric acid
pp. 135-142(8)
Authors: Laasonen, Kari; Klein, Michael L.

An investigation of the reaction of O- with CH2F2 with ab initio molecular orbital calculations
pp. 143-160(18)
Authors: Lee, E. P. F.; Dyke, J. M.

Comparison of classical trajectory and quantal close-coupling calculation of generalized cross sections for N+2-He mixtures
pp. 161-172(12)
Authors: Liu, W.-K.; Dickinson, A. S.

Calculation of solvation energies: the self-consistent multipole moment reaction field method
pp. 173-185(13)
Authors: Lu, T.-X.; Bacskay, G. B.; Haymet, A. D. J.

Sequential bond energies of Ti(CO)+x, x = 1-7
pp. 187-197(11)
Authors: Meyer, Franc; Armentrout, P. B.

Elimination of asymptotic couplings in atomic and molecular dynamics
pp. 199-212(14)
Author: Riera, A.

Planar and non-planar borepins
pp. 213-216(4)
Authors: Schulman, Jerome M.; Disch, Raymond L.

Ab initio calculations of ionic and hydrogen bonding interactions with the OCN-, SCN- and SeCN- anions
pp. 217-246(30)
Authors: Schultz, P. W.; Leroi, G. E.; Harrison, J. F.

Electronic structure of diatomic boron carbide
pp. 247-254(8)
Authors: Smith, Alice M.; Lorenz, Martin; Agreiter, Jurgen; Bondybey, Vladimir E.

The microwave spectrum and structure of the carbon dioxide-sulphur dioxide complex
pp. 255-268(14)
Authors: Sun, Linghong; Ioannou, Ioannis I.; Kuczkowski, Robert L.

Orientation of benzoate ions bound to a monolayer of a cationic surfactant at the surface of water
pp. 269-280(12)
Authors: Bell, Graham R.; Bain, Colin D.; Ward, Robert N.; Duffy, David C.

Surface enhancement of Raman and absorption spectra from cyanine dye D266 adsorbed on ZnO colloids
pp. 281-290(10)
Authors: Wen, Hao; He, Tianjing; Xu, Cunyi; Zuo, Jian; Liu, Fan-Chen

Gauge invariance and the electric polarization field
pp. 291-307(17)
Author: Woolley, R. G.