| nr |
titel |
auteur |
tijdschrift |
jaar |
jaarg. |
afl. |
pagina('s) |
type |
| 1 |
Ab initio calculations of the vibrational contributions to the static dipole polarizability of CO2 and CS2
|
Guerreiro, Michel
|
|
1997
|
274 |
1-3 |
p. 315-322
8 p.
|
artikel
|
| 2 |
Ab initio calculations of vibronic coupling. Applications to symmetry-forbidden vibronic spectra and internal conversion in ethylene
|
Mebel, A.M.
|
|
1997
|
274 |
1-3 |
p. 281-292
12 p.
|
artikel
|
| 3 |
Ab initio molecular orbital calculation of the second hyperpolarizability of the carbon disulfide molecule: electron correlation and frequency dispersion
|
Ohta, Koji
|
|
1997
|
274 |
1-3 |
p. 306-314
9 p.
|
artikel
|
| 4 |
A correlated ab initio study of the A ̃ 2Π ← X ̃ 2Σ+ transition in MgCCH
|
Woon, David E.
|
|
1997
|
274 |
1-3 |
p. 299-305
7 p.
|
artikel
|
| 5 |
A density functional study of the effect of reduction on the geometry and electron affinity of hydrogen bonded 1,4-benzoquinone. Implications for quinone reduction and protonation in photosynthetic reaction centres
|
O'Malley, Patrick J.
|
|
1997
|
274 |
1-3 |
p. 251-254
4 p.
|
artikel
|
| 6 |
Alkali carbide fragmentation. A new path to doubly-charged negative ions
|
Vandenbosch, R.
|
|
1997
|
274 |
1-3 |
p. 112-114
3 p.
|
artikel
|
| 7 |
A theoretical model for interchain coupled organic ferromagnets
|
Wang, W.Z.
|
|
1997
|
274 |
1-3 |
p. 221-225
5 p.
|
artikel
|
| 8 |
CCSDT calculations of molecular equilibrium geometries
|
Halkier, Asger
|
|
1997
|
274 |
1-3 |
p. 235-241
7 p.
|
artikel
|
| 9 |
Chain length dependence of the structure of alkane thiol films on Au(111)
|
Balzer, F.
|
|
1997
|
274 |
1-3 |
p. 145-151
7 p.
|
artikel
|
| 10 |
Chemical shifts of diamagnetic azafullerenes: (C59N)2 and C59HN
|
Bühl, Michael
|
|
1997
|
274 |
1-3 |
p. 231-234
4 p.
|
artikel
|
| 11 |
Competitive solvation of NH3 and H2O by a phenol ion studied by liquid beam — multiphoton ionization — mass spectrometry
|
Mafuné, Fumitaka
|
|
1997
|
274 |
1-3 |
p. 127-132
6 p.
|
artikel
|
| 12 |
Computational study of the spectroscopic constants of the ground state of the As2 molecule
|
Mochizuki, Yuji
|
|
1997
|
274 |
1-3 |
p. 264-268
5 p.
|
artikel
|
| 13 |
Debye-Huckel constant and average particle size of a colloidal dispersion of solid aggregates. Evaluation of κ〈r〉 to characterize repulsive DLVO-based interactions. Application to the Si3N4/H2O (1) system
|
Mezzasalma, Stefano A.
|
|
1997
|
274 |
1-3 |
p. 213-216
4 p.
|
artikel
|
| 14 |
Development of a force field for some copper(II) Schiff-base complexes
|
Subramanian, V.
|
|
1997
|
274 |
1-3 |
p. 275-280
6 p.
|
artikel
|
| 15 |
Dual-frequency oscillations induced by acidity in Belousov-Zhabotinskii reactions with aldosugars as substrates
|
Li, Hexing
|
|
1997
|
274 |
1-3 |
p. 41-46
6 p.
|
artikel
|
| 16 |
Editorial Board
|
|
|
1997
|
274 |
1-3 |
p. ii-
1 p.
|
artikel
|
| 17 |
Free jet absorption millimeter wave spectrum of 2,4′-dipyridyl
|
Favero, Laura B.
|
|
1997
|
274 |
1-3 |
p. 47-50
4 p.
|
artikel
|
| 18 |
Geminate pair dissociation in random organic systems
|
Barth, S.
|
|
1997
|
274 |
1-3 |
p. 165-170
6 p.
|
artikel
|
| 19 |
Growth of NMR multiple-quantum coherences in quasi-one-dimensional systems
|
Khitrin, A.K.
|
|
1997
|
274 |
1-3 |
p. 217-220
4 p.
|
artikel
|
| 20 |
Highly sensitive detection of adsorbed species on a SiO2 surface by reflection-absorption infrared spectroscopy
|
Fukui, Ken-ichi
|
|
1997
|
274 |
1-3 |
p. 133-139
7 p.
|
artikel
|
| 21 |
High-resolution study of resonant decay following the O 1s → π∗ excitation(s) in CO2: evidence for an overlapping Rydberg transition
|
Piancastelli, M.N.
|
|
1997
|
274 |
1-3 |
p. 13-17
5 p.
|
artikel
|
| 22 |
How reliable are topographical characteristics of Hartree-Fock level molecular electron momentum densities?
|
Kulkarni, Sudhir A.
|
|
1997
|
274 |
1-3 |
p. 255-263
9 p.
|
artikel
|
| 23 |
Hydrophobic interaction and solvatochromic shift of benzene in water
|
Urahata, Sérgio
|
|
1997
|
274 |
1-3 |
p. 269-274
6 p.
|
artikel
|
| 24 |
Interferogram amplitude modulation technique for selective detection of transient species with a continouus-scan Fourier-transform spectrometer
|
Imajo, Takashi
|
|
1997
|
274 |
1-3 |
p. 99-105
7 p.
|
artikel
|
| 25 |
Kinetics of radiationless energy transfer from upper excited states
|
Bodunov, E.N.
|
|
1997
|
274 |
1-3 |
p. 171-176
6 p.
|
artikel
|
| 26 |
Migration of translationally excited fluorine atoms in solid argon and their reactions with small guest molecules
|
Misochko, Eugenii Ya.
|
|
1997
|
274 |
1-3 |
p. 23-28
6 p.
|
artikel
|
| 27 |
Molecular diffusion in a monolayer on water surface detected by the transient grating method
|
Tanzawa, Kazunari
|
|
1997
|
274 |
1-3 |
p. 159-164
6 p.
|
artikel
|
| 28 |
Multiconfiguration perturbation theory with imaginary level shift
|
Forsberg, Niclas
|
|
1997
|
274 |
1-3 |
p. 196-204
9 p.
|
artikel
|
| 29 |
Optical-optical double resonance and Fourier transform spectroscopy: The Rb2 B 1 Π u electronic state up to the quasibound energy levels
|
Amiot, C.
|
|
1997
|
274 |
1-3 |
p. 91-98
8 p.
|
artikel
|
| 30 |
Perylenes and polyenes: a second π-electron approximation
|
Soos, Z.G.
|
|
1997
|
274 |
1-3 |
p. 189-195
7 p.
|
artikel
|
| 31 |
Photodetachment photoelectron spectroscopy of perylene and CS2: two extreme cases
|
Schiedt, J.
|
|
1997
|
274 |
1-3 |
p. 18-22
5 p.
|
artikel
|
| 32 |
Polymorphic phase transitions and molecular motion in pyridinium chlorochromate
|
Paja̧k, Z.
|
|
1997
|
274 |
1-3 |
p. 106-111
6 p.
|
artikel
|
| 33 |
Reaction dynamics of Mg(3 1P1, 4 1S0) with H2: insertion versus harpoon mechanism
|
Liu, Dean-Kuo
|
|
1997
|
274 |
1-3 |
p. 37-40
4 p.
|
artikel
|
| 34 |
Spectroscopy and dynamics of jet-cooled 2-methoxynaphthalene
|
Troxler, Thomas
|
|
1997
|
274 |
1-3 |
p. 71-78
8 p.
|
artikel
|
| 35 |
Spin-orbit effects in the Penning ionization: Ar + He ∗ (23 S) → Ar +(2 P 3/2,2 P 1/2) + He + e − . An ab initio and trajectory study
|
Ishida, Toshimasa
|
|
1997
|
274 |
1-3 |
p. 293-298
6 p.
|
artikel
|
| 36 |
Stark spectroscopy of an excited-state proton-transfer molecule: comparison of experimental and computational results for o-hydroxyacetophenone
|
Peteanu, Linda
|
|
1997
|
274 |
1-3 |
p. 79-84
6 p.
|
artikel
|
| 37 |
Structures and formation mechanism of potassium cyanide clusters
|
Zhang, Xiao-Guang
|
|
1997
|
274 |
1-3 |
p. 115-119
5 p.
|
artikel
|
| 38 |
Structures of the Ca@C82 isomers: a theoretical prediction
|
Kobayashi, Kaoru
|
|
1997
|
274 |
1-3 |
p. 226-230
5 p.
|
artikel
|
| 39 |
Study of the structure of a water molecular assembly in a hydrophobic nanospace at low temperature with in situ X-ray diffraction
|
Iiyama, T.
|
|
1997
|
274 |
1-3 |
p. 152-158
7 p.
|
artikel
|
| 40 |
Surface vibrational spectroscopy of sulfuric acid-water mixtures at the liquid-vapor interface
|
Radüge, C.
|
|
1997
|
274 |
1-3 |
p. 140-144
5 p.
|
artikel
|
| 41 |
Temperature dependence of electric field-gradient induced birefringence in carbon dioxide and carbon disulfide
|
Watson, Jonathan N.
|
|
1997
|
274 |
1-3 |
p. 1-6
6 p.
|
artikel
|
| 42 |
Temperature dependent study of the kinetics of Sc(a 2 D 3 2 ) with O2, N2O, CO2, NO and SO2
|
Campbell, Mark L.
|
|
1997
|
274 |
1-3 |
p. 7-12
6 p.
|
artikel
|
| 43 |
The 4-component random phase approximation method applied to the calculation of frequency-dependent dipole polarizabilities
|
Visscher, Lucas
|
|
1997
|
274 |
1-3 |
p. 181-188
8 p.
|
artikel
|
| 44 |
The electronic structure of the cis-bis(4,4′-dicarboxy-2,2′-bipyridine)-bis(isothiocyanato)ruthenium(II) complex and its ligand 2,2′-bipyridyl-4,4′-dicarboxylic acid studied with electron spectroscopy
|
Rensmo, H.
|
|
1997
|
274 |
1-3 |
p. 51-57
7 p.
|
artikel
|
| 45 |
The LCAC-SW calculations of the reaction probabilities for the collinear H + H2 (ν=0) → H2(ν) + H reaction
|
Lu Wen Cai,
|
|
1997
|
274 |
1-3 |
p. 177-180
4 p.
|
artikel
|
| 46 |
Time-resolved FTIR study of the 308 nm photolysis of NO2. Nascent vibrational populations and quenching of NO(ν = 1–3)
|
Doughty, Alan
|
|
1997
|
274 |
1-3 |
p. 58-62
5 p.
|
artikel
|
| 47 |
Time-resolved infrared spectroscopy of ethanol monomers in liquid solution: molecular reorientation and energy relaxation times
|
Laenen, R.
|
|
1997
|
274 |
1-3 |
p. 63-70
8 p.
|
artikel
|
| 48 |
Toward reliable adiabatic connection models free from adjustable parameters
|
Adamo, C.
|
|
1997
|
274 |
1-3 |
p. 242-250
9 p.
|
artikel
|
| 49 |
Usefulness of the newly completed semiclassical theory of curve crossing: multi-channel resonant scattering
|
Zhu, Chaoyuan
|
|
1997
|
274 |
1-3 |
p. 205-212
8 p.
|
artikel
|
| 50 |
Velocity distributions of NH2 radicals in an NH3 plasma molecular beam
|
McCurdy, Patrick R.
|
|
1997
|
274 |
1-3 |
p. 120-126
7 p.
|
artikel
|
| 51 |
Vibrational relaxation of Na2 molecules in a triplet state: collisional transfer from a mixed A 1Σ u + − b 3Π u gateway level to long-lived levels of b 3 Πu
|
Hulsman, H.
|
|
1997
|
274 |
1-3 |
p. 85-90
6 p.
|
artikel
|
| 52 |
Videochemiluminescence: a simple technique for investigating the reaction dynamics of excited species
|
Rinaldi, C.A.
|
|
1997
|
274 |
1-3 |
p. 29-36
8 p.
|
artikel
|
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