Tables of Contents service for
CHEMICAL PHYSICS LETTERS
Volume 235, Issue 1-2, 17 March 1995
- Molecular polarisabilities - a comparison of density functional theory with standard ab initio methods
McDowell, S.A.C., Amos, R.D. and Handy, N.C.
page 1-4
- A theoretical investigation of four electronic states of C_6 and the ground state of linear C6
Schmatz, S. and Botschwina, P.
page 5-12
- Spin-orbit effect on the magnetic shielding constant using the ab initio UHF method: gallium and indium tetrahalides
Takashima, H., Hada, M. and Nakatsuji, H.
page 13-16
- Basicity of primary amines: a group properties based study of the importance of inductive (electronegativity and softness) and resonance effects
Baeten, A., De Proft, F. and Geerlings, P.
page 17-21
- Effect of distributing multipoles and polarizabilities on molecular dynamics simulations of water
Soetens, J. and Millot, C.
page 22-30
- Treatment of quasi-degeneracy in single-reference coupled-cluster theory. Separation of dynamical and nondynamical correlation effects
Datta, B. and Mukherjee, D.
page 31-36
- Transferable tight-binding potential for hydrocarbons
Yang, W. and Mak, C.H.
page 37-46
- A numerically stable orbital connection for the calculation of analytical Hessians using perturbation-dependent basis sets
Ruud, K., Helgaker, T., Olsen, J., J_orgensen, P. and Bak, K.L.
page 47-52
- Density functional study of structural and electronic properties of cube-like MgO clusters
Veliah, S., Pandey, R., Li, Y.S., Newsam, J.M. and Vessal, B.
page 53-57
- Fluorescence quenching by electron transfer in quinolinium betaines. Semiempirical and experimental studies
Lanig, H., Engel, Th., Kab, G. and Schneider, F.W.
page 58-64
- He-diffraction study of defect correlated water adsorption on the CaF2 (111) surface
Lehmann, A., Konig, G. and Rieder, K.H.
page 65-68
- Enhanced resolution in the 1H NMR spectra of zeolite H-ZSM-5 by heteronuclear dipolar-dephasing spin-echo MAS
Freude, D.
page 69-75
- Temperature and viscosity sensitive S1 emission from a highly substituted triene
Andersson, P.O., Gillbro, T., Asato, A.E. and Liu, R.S.H.
page 76-82
- Photoexcited EOSIN as an EPR spin probe
van Faassen, E., Weber, S., Laukenmann, K., Kothe, G. and Levine, Y.K.
page 83-88
- Direct rate constant measurement of radical disulphide anion formation for cysteine and cysteamine in aqueous solution
Mezyk, S.P.
page 89-93
- Photonucleation of water vapour in the presence of oxygen
Brown, W.B.
page 94-98
- Dynamics of chemical reactions of doubly-charged ions. CF2D+ formation in collisions of CF2+2 and D2
Dolejsek, Z., Farnik, M. and Herman, Z.
page 99-104
- The importance of the geometric phase effect for the H + D2 HD + D reaction
Wu, Y.M. and Kuppermann, A.
page 105-110
- J = 0 reactivity and cross-section in the H + O2 reaction: is there a pronounced maximum as a function of energy?
Varandas, A.J.C.
page 111-118
- Dipole--dipole electronic energy transfer. Fluorescence decay functions for arbitrary distributions of donors and acceptors: systems with planar geometry
Yekta, A., Duhamel, J. and Winnik, M.A.
page 119-125
- Effect of the molecular dynamics of exchanging groups on electron transport. Stochastic Liouville equation approach
Pudlak, M.
page 126-132
- Ion solvation dynamics in binary dipolar liquids: theoretical and simulation results for mixtures of Stockmayer liquids
Chandra, A.
page 133-139
- An extension of the NpT plus test particle method for the determination of the vapour-liquid equilibria of pure fluids
Boda, D., Liszi, J. and Szalai, I.
page 140-145
- The Stone-Wales map for C60
Austin, S.J., Fowler, P.W., Manolopoulos, D.E. and Zerbetto, F.
page 146-151
- Resonant and non-resonant X-ray scattering from C70
Guo, J., Skytt, P., Wassdahl, N., Nordgren, J., Luo, Y., Vahtras, O. and Ågren, H.
page 152-159
- On polarization effects in endohedral fullerene complexes
Hernandez-Rojas, J., Breton, J. and Llorente, J.M.G.
page 160-162
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