| nr |
titel |
auteur |
tijdschrift |
jaar |
jaarg. |
afl. |
pagina('s) |
type |
| 1 |
Ab initio calculation of the equilibrium geometry and the 13C, 17O and 27A1 NMR chemical shielding tensors of the system Al3+/CO
|
Weller, Th.
|
|
|
72 |
1-2 |
p. 155-159
|
artikel
|
| 2 |
A new extended diffusion model for rotational motion of symmetric-top molecules in the liquid phase
|
Lascombe, J.
|
|
|
72 |
1-2 |
p. 177-184
|
artikel
|
| 3 |
A spin-adapted linear response theory in a coupled-cluster framework for direct calculation of spin-allowed and spin-forbidden transition energies
|
Ghosh, Somnath
|
|
|
72 |
1-2 |
p. 161-176
|
artikel
|
| 4 |
Atoms-in-molecules calculations on diatomic fragments of polyatomic systems: HeH, HeH+ and HeH− for a dim model of penning ionization of H2 by He*
|
Paidarová, I
|
|
|
72 |
1-2 |
p. 119-129
|
artikel
|
| 5 |
Computer simulation of dichloromethane. II. Molecular dynamics
|
Ferrario, Mauro
|
|
|
72 |
1-2 |
p. 147-154
|
artikel
|
| 6 |
Emission and laser excitation spectra of rotationally cooled cations in the gas phase: Ã2Π ↔ X̃2Π band systems of 2X+, X = Cl, Br
|
Klapstein, Dieter
|
|
|
72 |
1-2 |
p. 101-110
|
artikel
|
| 7 |
Erratum
|
|
|
|
72 |
1-2 |
p. 224
|
artikel
|
| 8 |
Evidence for the existence of structures in gas-phase homomolecular clusters of water
|
Hermann, V.
|
|
|
72 |
1-2 |
p. 185-200
|
artikel
|
| 9 |
Highly resolved optical spectra of o-durylene
|
Cofino, W.P.
|
|
|
72 |
1-2 |
p. 73-81
|
artikel
|
| 10 |
α-Hydroxyalkyl radicals by photoreduction in aprotic solvents: ESR spectra, AB initio potential function, inversion—internal rotation dynamics and temperature dependence of coupling constants of 1-hydroxyethyl
|
Cirelli, G.
|
|
|
72 |
1-2 |
p. 15-34
|
artikel
|
| 11 |
Inequivalent methyl CH oscillators in methyl-substituted conjugated compounds as revealed by higher overtone spectra
|
Nakagaki, Ryoichi
|
|
|
72 |
1-2 |
p. 93-99
|
artikel
|
| 12 |
Low-temperature vibronic spectra of 1, 1′-binaphthyl
|
Riley, Mark J.
|
|
|
72 |
1-2 |
p. 83-91
|
artikel
|
| 13 |
Molecular dynamics computer simulation of liquid dichloromethane. I. Equilibrium properties
|
Ferrario, Mauro
|
|
|
72 |
1-2 |
p. 141-145
|
artikel
|
| 14 |
Multiphoton dissociation of some volatile uranyl complexes. II. Frequency and isotopic effects
|
Eeberhardt, J.E.
|
|
|
72 |
1-2 |
p. 51-59
|
artikel
|
| 15 |
Multiphoton dissociation of some volatile uranyl complexes. I. The phenomena of reversible and permanent dissociation
|
Eberhardt, J.E.
|
|
|
72 |
1-2 |
p. 41-49
|
artikel
|
| 16 |
Photochemical control of energy transfer in molecular crystals
|
Patel, J.S.
|
|
|
72 |
1-2 |
p. 35-40
|
artikel
|
| 17 |
Polymerization of TS-12 diacetylene crystals: Crystal structures of monomer and polymer and spectroscopy of reaction intermediates
|
Siegel, D.
|
|
|
72 |
1-2 |
p. 201-212
|
artikel
|
| 18 |
Potential energy curves and transition moments for the low-lying electronic states of the Si2 molecule
|
Peyerimhoff, Sigrid D.
|
|
|
72 |
1-2 |
p. 111-118
|
artikel
|
| 19 |
Studies of magnetic field effects on the intensity and the lifetime of sulfur dioxide luminescence in the gas phase
|
Makarov, V.J.
|
|
|
72 |
1-2 |
p. 213-223
|
artikel
|
| 20 |
Time-resolved spectroscopy: Wavepacket formalism in the coherent-state representation
|
Villaeys, A.A.
|
|
|
72 |
1-2 |
p. 1-14
|
artikel
|
| 21 |
Unified theoretical treatment of analytic first and second energy derivatives in open-shell Hartree—Fock theory
|
Osamura, Yoshihiro
|
|
|
72 |
1-2 |
p. 131-139
|
artikel
|
| 22 |
X-ray photoemission and optical spectra of NiPS3, FePS3 and ZnPS3
|
Piacentini, M.
|
|
|
72 |
1-2 |
p. 61-71
|
artikel
|
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