| nr |
titel |
auteur |
tijdschrift |
jaar |
jaarg. |
afl. |
pagina('s) |
type |
| 1 |
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.
|
|
1996
|
257 |
1-2 |
p. 31-35
5 p.
|
artikel
|
| 2 |
Ab initio calculation of the anharmonic force and dipole fields of nitrogen trifluoride
|
Tarroni, Riccardo
|
|
1996
|
257 |
1-2 |
p. 23-30
8 p.
|
artikel
|
| 3 |
Absorption and luminescence spectroscopy of manganese-doped BaSO4 crystals
|
Brunold, Thomas C.
|
|
1996
|
257 |
1-2 |
p. 123-129
7 p.
|
artikel
|
| 4 |
A CASSCF study of the relaxation effects in the lowest 3MLCT excited state of HMn(CO) 3(dab)
|
Guillaumont, Dominique
|
|
1996
|
257 |
1-2 |
p. 1-7
7 p.
|
artikel
|
| 5 |
A direct-operation Lanczos approach for calculating energy levels
|
Roy, Pierre-Nicholas
|
|
1996
|
257 |
1-2 |
p. 98-104
7 p.
|
artikel
|
| 6 |
Angular distributions in stimulated desorption: photodesorption of ammonia from a Cu(111) surface
|
Hertel, T.
|
|
1996
|
257 |
1-2 |
p. 155-162
8 p.
|
artikel
|
| 7 |
Applications to atoms, ions, and molecules of a novel form of the correlation energy density functional
|
Liu, S.
|
|
1996
|
257 |
1-2 |
p. 68-74
7 p.
|
artikel
|
| 8 |
Cage relaxation effects on the local density of states in a C60 derivative
|
Yu, L.-M.
|
|
1996
|
257 |
1-2 |
p. 163-168
6 p.
|
artikel
|
| 9 |
Characterization of the magneto-optical properties of eosin Y and erythrosin
|
Harryvan, D.H.
|
|
1996
|
257 |
1-2 |
p. 190-196
7 p.
|
artikel
|
| 10 |
Cross-correlation-induced J coupling
|
Brüschweiler, R.
|
|
1996
|
257 |
1-2 |
p. 119-122
4 p.
|
artikel
|
| 11 |
Dynamical theory for temporal and thermal broadening and shift of the single molecule optical line
|
Osad'ko, Igor
|
|
1996
|
257 |
1-2 |
p. 82-88
7 p.
|
artikel
|
| 12 |
Editorial Board
|
|
|
1996
|
257 |
1-2 |
p. ii-
1 p.
|
artikel
|
| 13 |
Evidence for S1/S2 electronic state mixing in the S1 ←l S0 fluorescence excitation spectrum of 1-naphthol
|
Humphrey, Susan J.
|
|
1996
|
257 |
1-2 |
p. 169-174
6 p.
|
artikel
|
| 14 |
Exciplex dipole moments: excited cyanoanthracenes in neat methylbenzene solvents
|
Grzeskowiak, Karyn N.
|
|
1996
|
257 |
1-2 |
p. 89-92
4 p.
|
artikel
|
| 15 |
Far-infrared spectra of solid ethanol at high pressures
|
Anderson, A.
|
|
1996
|
257 |
1-2 |
p. 143-147
5 p.
|
artikel
|
| 16 |
Heisenberg exchange enhancement by orbital relaxation in cuprate compounds
|
van Oosten, A.B.
|
|
1996
|
257 |
1-2 |
p. 207-212
6 p.
|
artikel
|
| 17 |
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.
|
|
1996
|
257 |
1-2 |
p. 111-118
8 p.
|
artikel
|
| 18 |
Local laser superheating due to quenching determined by degenerate four-wave-mixing and absorption thermometry
|
Motzkus, M.
|
|
1996
|
257 |
1-2 |
p. 181-189
9 p.
|
artikel
|
| 19 |
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, Paola
|
|
1996
|
257 |
1-2 |
p. 41-48
8 p.
|
artikel
|
| 20 |
On the stability of hydridoalkyl complexes of Co+
|
Hendrickx, M.
|
|
1996
|
257 |
1-2 |
p. 8-14
7 p.
|
artikel
|
| 21 |
Photodissociation spectroscopy of phenol dimer ion. Lack of resonance interaction between the aromatic rings
|
Ohashi, Kazuhiko
|
|
1996
|
257 |
1-2 |
p. 137-142
6 p.
|
artikel
|
| 22 |
Quadrupole parameters of nitrogen nuclei in the cation radical P700 .+ determined by ESEEM of single crystals of phtosystem I
|
Käβ, H.
|
|
1996
|
257 |
1-2 |
p. 197-206
10 p.
|
artikel
|
| 23 |
Relative stability of 1C4 and 4C1 chair forms of β-d-glucose: a density functional study
|
Csonka, Gábor I.
|
|
1996
|
257 |
1-2 |
p. 49-60
12 p.
|
artikel
|
| 24 |
Some considerations about the optical absorption spectra of Rh(II) in a NaCl lattice
|
Gilliams, B.
|
|
1996
|
257 |
1-2 |
p. 93-97
5 p.
|
artikel
|
| 25 |
STM-induced H atom desorption from Si(100): isotope effects and site selectivity
|
Avouris, Ph.
|
|
1996
|
257 |
1-2 |
p. 148-154
7 p.
|
artikel
|
| 26 |
The ab initio dipole moment and static polarizabilities of hydrogen peroxide
|
Koput, Jacek
|
|
1996
|
257 |
1-2 |
p. 36-40
5 p.
|
artikel
|
| 27 |
The enthalpy of formation of trioxy radicals ROOO (R H, CH3, C2H5). An ab initio study
|
Jungkamp, Tim P.W.
|
|
1996
|
257 |
1-2 |
p. 15-22
8 p.
|
artikel
|
| 28 |
The fine-structure splitting of the thallium atomic ground state: LS- versus jj-coupling
|
Rakowitz, Frank
|
|
1996
|
257 |
1-2 |
p. 105-110
6 p.
|
artikel
|
| 29 |
The millimeter-wave spectrum of FeO in its X 5 Δ i state (v = 0): a study of all five spin components
|
Allen, M.D.
|
|
1996
|
257 |
1-2 |
p. 130-136
7 p.
|
artikel
|
| 30 |
Theoretical analysis of the triplet excited states of difluorosilylene. A density functional study
|
Bérces, Attila
|
|
1996
|
257 |
1-2 |
p. 61-67
7 p.
|
artikel
|
| 31 |
Theoretical study of the low-energy BiN spectrum
|
Alekseyev, Aleksey B.
|
|
1996
|
257 |
1-2 |
p. 75-81
7 p.
|
artikel
|
| 32 |
Thermal energy assisted heavy atom effect: fluorescence quenching of 9-cyanoanthracene in the supercritical fluid of Xe
|
Maeda, Makoto
|
|
1996
|
257 |
1-2 |
p. 175-180
6 p.
|
artikel
|
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