| nr |
titel |
auteur |
tijdschrift |
jaar |
jaarg. |
afl. |
pagina('s) |
type |
| 1 |
Ab initio calculation and display of the rotary strength tensor in the random phase approximation. Method and model studies
|
Bondo Pedersen, Thomas
|
|
1995
|
246 |
1-2 |
p. 1-8
8 p.
|
artikel
|
| 2 |
Ab initio predictions of the lowest electronic states, structures vibrational frequencies of phenylphosphinidene
|
Hamilton, Tracy P.
|
|
1995
|
246 |
1-2 |
p. 59-65
7 p.
|
artikel
|
| 3 |
A comparison of the accuracy of different functionals
|
Bauschlicher Jr., Charles W.
|
|
1995
|
246 |
1-2 |
p. 40-44
5 p.
|
artikel
|
| 4 |
AM1 computations on seven isolated-pentagon-rule isomers of C80
|
Sun, Mei-Ling
|
|
1995
|
246 |
1-2 |
p. 66-72
7 p.
|
artikel
|
| 5 |
An ESR study on the thermal electron excitation of a sodium atom incorporated in a silicon clathrate compound
|
Yahiro, Hidenori
|
|
1995
|
246 |
1-2 |
p. 167-170
4 p.
|
artikel
|
| 6 |
A new technique for studying surface reactions: the reaction of hydrogen with high pressure oxygen on palladium
|
Reisfeld, G.
|
|
1995
|
246 |
1-2 |
p. 85-89
5 p.
|
artikel
|
| 7 |
A perturbative correction to restricted open shell configuration interaction with single substitutions for excited states of radicals
|
Head-Gordon, Martin
|
|
1995
|
246 |
1-2 |
p. 114-121
8 p.
|
artikel
|
| 8 |
Conformational analysis of n-alkanes using density functional theory. Comparison with ab initio calculations
|
Tsuzuki, Seiji
|
|
1995
|
246 |
1-2 |
p. 9-12
4 p.
|
artikel
|
| 9 |
Editorial Board
|
|
|
1995
|
246 |
1-2 |
p. ii-
1 p.
|
artikel
|
| 10 |
Effect of a high magnetic field on the decay rate of chain-linked intramolecular exciplex fluorescence
|
Cao, Hong
|
|
1995
|
246 |
1-2 |
p. 171-175
5 p.
|
artikel
|
| 11 |
ESR features of the bicyclobutyl radical revisited. A counterintuitive ordering of short- and long-range isotropic hyperfine coupling constants
|
Barone, Vincenzo
|
|
1995
|
246 |
1-2 |
p. 53-58
6 p.
|
artikel
|
| 12 |
Evidence for enhanced intersystem crossing on pyrene fluorescence quenching with stable free radicals
|
Suzuki, Tadashi
|
|
1995
|
246 |
1-2 |
p. 130-134
5 p.
|
artikel
|
| 13 |
Femtosecond relaxation of photoexcitations in a solution of a poly(para-phenylene)-type ladder polymer
|
Graupner, W.
|
|
1995
|
246 |
1-2 |
p. 95-100
6 p.
|
artikel
|
| 14 |
104-fold isotope effect: vibrational predissociation in ArDF
|
Davis, Scott
|
|
1995
|
246 |
1-2 |
p. 157-162
6 p.
|
artikel
|
| 15 |
Lowest unoccupied molecular orbital as the resonant orbital. An investigation using the bi-variational self-consistent field method
|
Medikeri, Milan N.
|
|
1995
|
246 |
1-2 |
p. 26-32
7 p.
|
artikel
|
| 16 |
Methyl addition to acetylene and ethylene from a density functional approach
|
Barone, Vincenzo
|
|
1995
|
246 |
1-2 |
p. 45-52
8 p.
|
artikel
|
| 17 |
Nanoscale visualization of microcrystalline chlorophyll a investigated with scanning tunneling microscopy
|
Boussaad, S.
|
|
1995
|
246 |
1-2 |
p. 107-113
7 p.
|
artikel
|
| 18 |
Optical characterization of electronic transitions arising from the Au/S interface of self-assembled n-alkanethiolate monolayers
|
Shi, J.
|
|
1995
|
246 |
1-2 |
p. 90-94
5 p.
|
artikel
|
| 19 |
Optical evidence for Rh(II) in a NaCl lattice
|
Görller-Walrand, C.
|
|
1995
|
246 |
1-2 |
p. 163-166
4 p.
|
artikel
|
| 20 |
Orbital mixing in CO chemisorption on transition metal surfaces
|
Hu, P.
|
|
1995
|
246 |
1-2 |
p. 73-78
6 p.
|
artikel
|
| 21 |
Pairwise solute descreening of solute charges from a dielectric medium
|
Hawkins, Gregory D.
|
|
1995
|
246 |
1-2 |
p. 122-129
8 p.
|
artikel
|
| 22 |
Photo-stationary state of UV pumped matrix isolated O2
|
Danilychev, A.V.
|
|
1995
|
246 |
1-2 |
p. 139-144
6 p.
|
artikel
|
| 23 |
Resonance Raman study on phase transition and molecular orientation in black soap films
|
Zhang, Zhiqiang
|
|
1995
|
246 |
1-2 |
p. 101-106
6 p.
|
artikel
|
| 24 |
Resonant Raman scattering in single crystals of BDNT, BDNT1+ and BDNT2+
|
Denisov, V.N.
|
|
1995
|
246 |
1-2 |
p. 176-182
7 p.
|
artikel
|
| 25 |
Selective ion desorption in ESD from physisorbed CO/graphite
|
Laitenberger, P.
|
|
1995
|
246 |
1-2 |
p. 79-84
6 p.
|
artikel
|
| 26 |
The CX transition in CaKr+ and CaAr+
|
Buthelezi, T.
|
|
1995
|
246 |
1-2 |
p. 145-149
5 p.
|
artikel
|
| 27 |
The dissociation energies of AlH2 and AlAr
|
Partridge, Harry
|
|
1995
|
246 |
1-2 |
p. 33-39
7 p.
|
artikel
|
| 28 |
The luminescence of Pb2+ in alkaline earth sulfates
|
Folkerts, H.F.
|
|
1995
|
246 |
1-2 |
p. 135-138
4 p.
|
artikel
|
| 29 |
The nature of the transitory product in the gas-phase ozonolysis of ethene
|
Neeb, Peter
|
|
1995
|
246 |
1-2 |
p. 150-156
7 p.
|
artikel
|
| 30 |
Theoretical study of structure and thermodynamic properties of YC2
|
Roszak, S.
|
|
1995
|
246 |
1-2 |
p. 20-25
6 p.
|
artikel
|
| 31 |
Theoretical study of water clusters: octamer
|
Jensen, James O.
|
|
1995
|
246 |
1-2 |
p. 13-19
7 p.
|
artikel
|
| 32 |
Vertical ionization potentials and CTTS energies for anions in water and acetonitrile
|
Takahashi, Naoko
|
|
1995
|
246 |
1-2 |
p. 183-186
4 p.
|
artikel
|
Tijdschrift beschrijving