Tables of Contents service for
CHEMICAL PHYSICS LETTERS
Volume 257, Issue 1-2, 19 July 1996
- A CASSCF study of the relaxation effects in the lowest 3MLCT excited state of HMn(CO) 3(dab)
Guillaumont, D. and Daniel, C.
page 1-7
- On the stability of hydridoalkyl complexes of Co+
Hendrickx, M., Ceulemans, M. and Vanquickenborne, L.
page 8-14
- The enthalpy of formation of trioxy radicals ROOO (R = H, CH3, C2H5). An ab initio study
Jungkamp, T.P.W. and Seinfeld, J.H.
page 15-22
- Ab initio calculation of the anharmonic force and dipole fields of nitrogen trifluoride
Tarroni, R., Palmieri, P., Senent, M.L. and Willetts, A.
page 23-30
- Ability of empirical potentials (AMBER, CHARMM, CVFF, OPLS, Poltev) and semi-empirical quantum chemical methods (AM1, MNDO/M, PM3) to describe H-bonding in DNA base pairs; comparison with ab initio results
Hobza, P., Hubalek, F., Kabelac, M., Mejzlik, P., Sponer, J. and Vondrasek, J.
page 31-35
- The ab initio dipole moment and static polarizabilities of hydrogen peroxide
Koput, J.
page 36-40
- On the electronic structure and bonding of the polynuclear aryl derivatives of the group IB metals Cu5(C6H5)5, Ag4(C6H5)4 and Au5(C6H5)5 by density functional theory
Belanzoni, P., Rosi, M., Sgamellotti, A., Baerends, E.J. and Floriani, C.
page 41-48
- Relative stability of 1C4 and 4C1 chair forms of -d-glucose: a density functional study
Csonka, G.I., Elias, K. and Csizmadia, I.G.
page 49-60
- Theoretical analysis of the triplet excited states of difluorosilylene. A density functional study
Berces, A. and Zgierski, M.Z.
page 61-67
- Applications to atoms, ions, and molecules of a novel from of the correlation energy density functional
S., L., Sule, P., Lopez-Boada, R. and Nagy, A.
page 68-74
- Theoretical study of the low-energy BiN spectrum
Alekseyev, A.B., Liebermann, H., Buenker, R.J. and Hirsch, G.
page 75-81
- Dynamical theory for temporal and thermal broadening and shift of the single molecule optical line
Osad'ko, I. and Zaitsev, N.
page 82-88
- Exciplex dipole moments: excited cyanoanthracenes in neat methylbenzene solvents
Grzeskowiak, K.N., Ankner-Mylon, S.E., Smirnov, S.N. and Braun, C.L.
page 89-92
- Some considerations about the optical absorption spectra of Rh(II) in a NaCl lattice
Gilliams, B., Gorller-Walrand, C. and Vanquickenborne, L.G.
page 93-97
- A direct-operation Lanczos approach for calculating energy levels
Roy, P. and Carrington, T. Jr.
page 98-104
- The fine-structure splitting of the thallium atomic ground state: LS- versus jj-coupling
Rakowitz, F. and Marian, C.M.
page 105-110
- Intramolecular dynamics in a congested set of states: a reduced description of the quantal long time evolution with application to high Rydberg states
Remacle, F. and Levine, R.D.
page 111-118
- Cross-correlation-induced J coupling
Bruschweiler, R.
page 119-122
- Absorption and luminescence spectroscopy of manganese-doped BaSO4 crystals
Brunold, T.C. and Gudel, H.U.
page 123-129
- The millimeter-wave spectrum of FeO in its X5i state (v = 0): a study of all five spin components
Allen, M.D., Ziurys, L.M. and Brown, J.M.
page 130-136
- Photodissociation spectroscopy of phenol dimer ion. Lack of resonance interaction between the aromatic rings
Ohashi, K., Inokuchi, Y. and Nishi, N.
page 137-142
- Far-infrared spectra of solid ethanol at high pressures
Anderson, A. and Smith, W.
page 143-147
- STM-induced H atom desorption from Si(100):isotope effects and site selectivity
Avouris, Ph., Walkup, R.E., Rossi, A.R., T.-C., S., Abeln, G.C., Tucker, J.R. and Lyding, J.W.
page 148-154
- Angular distributions in stimulated desorption: photodesorption of ammonia from a Cu(111) surface
Hertel, T., Wolf, M. and Ertl, G.
page 155-162
- Cage relaxation effects on the local density of states in a C60 derivative
L.-M., Y., Langlais, V., Ghijsen, J., Gensterblum, G., Gan, L., Johnson, R.L., Caudano, R., Forbeaux, I., Themlin, J.-M., Debever, J.M. and Chinhui, H.
page 163-168
- Evidence for S1/S2 electronic state mixing in the S1 S0 fluorescence excitation spectrum of 1-naphthol
Humphrey, S.J. and Pratt, D.W.
page 169-174
- Thermal energy assisted heavy atom effect: fluorescence quenching of 9-cyanoanthracene in the supercritical fluid of Xe
Maeda, M., Graf, U., Niikura, H., Okamoto, M. and Hirayama, S.
page 175-180
- Local laser superheating due to quenching determined by degenerate four-wave-mixing and absorption thermometry
Motzkus, M., Pichler, G., Kompa, K.L. and Hering, P.
page 181-189
- Characterization of the magneto-optical properties of eosin Y and erythrosin
Harryvan, D.H., Lubberhuizen, W.H., v. Faassen, E., Levine, Y.K. and Kothe, G.
page 190-196
- Quadrupole parameters of nitrogen nuclei in the cation radical P_ +700 determined by ESEEM of single crystals of photosystem I
Ka_, H., Fromme, P. and Lubitz, W.
page 197-206
- Heisenberg exchange enhancement by orbital relaxation in cuprate compounds
van Oosten, A.B., Broer, R. and Nieuwpoort, W.C.
page 207-212
© Copyright 1996, Elsevier Science, All rights reserved.