| 1 |
|
A Gaussian-2 molecular orbital study of the sigmatropic 1,3-hydrogen shift in 1-silapropene
|
So, S. P.
|
North Holland
|
1996
|
|
|
|
| 2 |
|
A general bridge between configuration interaction and coupled-cluster methods: a multistate solution
|
Malrieu, J. P. Meller, J. Caballol, R. Adamowicz, L.
|
North Holland
|
1996
|
|
|
|
| 3 |
|
A genetic algorithm approach to fitting polyatomic spectra via geometry shifts
|
Dods, J. Gruner, D. Brumer, P.
|
North Holland
|
1996
|
|
|
|
| 4 |
|
A genetic Lloyd-Max image quantization algorithm
|
Scheunders, P
|
North Holland
|
1996
|
|
|
|
| 5 |
|
A gradient-only algorithm for tracing a reaction path uphill to the saddle of a potential energy surface
|
Quapp, W.
|
North Holland
|
1996
|
|
|
|
| 6 |
|
A gray-level corner detector using fuzzy logic
|
Lee, K.-J
|
North Holland
|
1996
|
|
|
|
| 7 |
|
Gas-phase acidities of HM(=X)XH (M = C, Si; X = O, S) acids calculated by ab initio molecular orbital methods at the G2 level of theory
|
Liedl, K. R. Rode, B. M. Remko, M.
|
North Holland
|
1996
|
|
|
|
| 8 |
|
Gas phase formation and reactivity of iron naphthylene cations: a route for polycyclic aromatic hydrocarbon growth
|
De Parseval, P. Chaudret, B. Klotz, A. Marty, P.
|
North Holland
|
1996
|
|
|
|
| 9 |
|
Gas-phase rate constants for the reaction of NO~3 radicals with furan and methyl-substituted furans
|
Boege, O. Kind, I. Rolle, W. Berndt, T.
|
North Holland
|
1996
|
|
|
|
| 10 |
|
Gas-phase rate constants for the reaction of NO~3 radicals with selectedoxiranes
|
Boege, O. Kind, I. Rolle, W. Berndt, T.
|
North Holland
|
1996
|
|
|
|
| 11 |
|
Gas phase reaction kinetics of Cl atoms with ICH~2OCH~3
|
Papagiannakopoulos, P. Lazarou, Y. G. Kambanis, K. G.
|
North Holland
|
1996
|
|
|
|
| 12 |
|
Gas phase reaction of nitrous acid and methyl nitrite with arenium ions.A new route to electrophilic aromatic nitrosation
|
Cacace, F. Ricci, A.
|
North Holland
|
1996
|
|
|
|
| 13 |
|
Generalization of the Mulliken-Hush treatment for the calculation of electron transfer matrix elements
|
Cave, R. J. Newton, M. D.
|
North Holland
|
1996
|
|
|
|
| 14 |
|
Generalized Heitler-London theory with exchange energy by the surface integral method: an application to the alkali metal dimer cations
|
Kleinekathoefer, U. Toennies, J. P. Johann, C. Tang, K. T.
|
North Holland
|
1996
|
|
|
|
| 15 |
|
General solution of the associative mean spherical approximation for themixture of dimerizing ions in neutralizing background
|
Protsykevich, I. A.
|
North Holland
|
1996
|
|
|
|
| 16 |
|
Generation of signal-uncorrelated noise for control experiments in imagerestoration
|
Suthaharan, S
|
North Holland
|
1996
|
|
|
|
| 17 |
|
Geometry and electronic structure of porphyrins and porphyrazines
|
Lamoen, D. Parrinello, M.
|
North Holland
|
1996
|
|
|
|
| 18 |
|
Geometry and nature of the binding of the pre-reactive complex C~2H~4...ClF from its rotational spectrum
|
Holloway, J. H. Legon, A. C. Bloemink, H. I.
|
North Holland
|
1996
|
|
|
|
| 19 |
|
Gibbs energies of gas-phase electron transfer reactions involving the larger fullerene anions
|
Dashkova, E. V. Boltalina, O. V. Sidorov, L. N.
|
North Holland
|
1996
|
|
|
|
| 20 |
|
Global geometry optimization of clusters guided by N-dependent model potentials
|
Hartke, B.
|
North Holland
|
1996
|
|
|
|