nr |
titel |
auteur |
tijdschrift |
jaar |
jaarg. |
afl. |
pagina('s) |
type |
1 |
Ab initio theoretical calculation of experimental structure factors for (ND4)2Cu(SO4)2·6D2O at 9 K
|
Chandler, G.S. |
|
1994 |
225 |
4-6 |
p. 421-426 6 p. |
artikel |
2 |
An ab initio molecular orbital study of SiH2 + F2→SiH2F2
|
Ayala, Philippe Y. |
|
1994 |
225 |
4-6 |
p. 410-415 6 p. |
artikel |
3 |
Application of the multi-channel Landau—Zener model to stabilization graphs
|
Riera, A. |
|
1994 |
225 |
4-6 |
p. 531-536 6 p. |
artikel |
4 |
A theoretical study of the structure and energetics of stacked dimers of polycyclic aromatic hydrocarbons. Application of INDO 1/S method to singlet excimers of naphthalene and phenanthrene
|
Sadygov, Rovshan G. |
|
1994 |
225 |
4-6 |
p. 441-447 7 p. |
artikel |
5 |
Atmospheric chemistry of HFC-134a. Kinetic and mechanistic study of the CF3CFHO2+NO2 reaction
|
Møgelberg, Trine E. |
|
1994 |
225 |
4-6 |
p. 375-380 6 p. |
artikel |
6 |
Author index to volume 225
|
|
|
1994 |
225 |
4-6 |
p. 548-556 9 p. |
artikel |
7 |
Basis set convergence for geometry and harmonic frequencies. Are h functions enough?
|
Martin, Jan M.L. |
|
1994 |
225 |
4-6 |
p. 473-479 7 p. |
artikel |
8 |
Brickstone arrangement in J-aggregates on an amphiphilic merocyanine dye
|
Wolthaus, L. |
|
1994 |
225 |
4-6 |
p. 322-326 5 p. |
artikel |
9 |
Cellular automata modelling of a surface catalytic reaction with Eley-Rideal step: the case of CO oxidation
|
Tambe, S.S. |
|
1994 |
225 |
4-6 |
p. 303-308 6 p. |
artikel |
10 |
Chemiluminescence of alkaline earth monoiodides in collisions of metastable Mg, Ca and Sr atoms with I2
|
Kierzkowski, P. |
|
1994 |
225 |
4-6 |
p. 369-374 6 p. |
artikel |
11 |
Computer simulation of osmosis and reverse osmosis in solutions
|
Murad, S. |
|
1994 |
225 |
4-6 |
p. 437-440 4 p. |
artikel |
12 |
Contribution of bound, metastable and free states of bimolecular complexes to collision-induced intensity of absorption
|
Epifanov, S.Yu. |
|
1994 |
225 |
4-6 |
p. 537-541 5 p. |
artikel |
13 |
Density-functional calculations of electronic and structural properties of small fullerene tubules
|
Springborg, Michael |
|
1994 |
225 |
4-6 |
p. 454-461 8 p. |
artikel |
14 |
Density-functional-theory calculations of isotropic hyperfine coupling constants of radicals
|
Ishii, Nobuhiko |
|
1994 |
225 |
4-6 |
p. 462-466 5 p. |
artikel |
15 |
Dissipative dynamics in a curve-crossing system. The N2 molecule
|
Kühn, O. |
|
1994 |
225 |
4-6 |
p. 511-518 8 p. |
artikel |
16 |
Effect of MgMg pairs on the low-temperature lattice specific heat of AlMg alloys
|
Marinelli, Francis |
|
1994 |
225 |
4-6 |
p. 542-546 5 p. |
artikel |
17 |
Electronic structure of thiometalates [MS4] n− (M=Mo, W, Re). XANES spectra and SCF-Xα-SW calculations
|
Müller, A. |
|
1994 |
225 |
4-6 |
p. 359-363 5 p. |
artikel |
18 |
Evidence for a Cooper minimum in the photoionization dynamics of the NO D 2Σ+ state
|
Park, Hongkun |
|
1994 |
225 |
4-6 |
p. 327-334 8 p. |
artikel |
19 |
Fluorescence from the S1(2 1Ag) state of all-trans-β-carotene
|
Bondarev, S.L. |
|
1994 |
225 |
4-6 |
p. 346-350 5 p. |
artikel |
20 |
Gas-phase characterization of the neutral and cationic Si2O2 molecules. A combined experimental and ab initio study
|
Goldberg, Norman |
|
1994 |
225 |
4-6 |
p. 404-409 6 p. |
artikel |
21 |
Ground-state binding energy and vibrations of the carbazole·Ar van der Waals complex by pump/dump-R2PI measurements
|
Bürgi, Thomas |
|
1994 |
225 |
4-6 |
p. 351-358 8 p. |
artikel |
22 |
High-resolution (2+1) multiphoton ionization spectroscopy of Br2 (Chem. Phys. Letters 212 (1993) 265)
|
Xu, L. |
|
1994 |
225 |
4-6 |
p. 547- 1 p. |
artikel |
23 |
Improvements in ab initio calculated OH stretching frequencies of zeolite acid site models and other OH-containing molecules, using a Morse potential
|
Bates, Simon |
|
1994 |
225 |
4-6 |
p. 427-430 4 p. |
artikel |
24 |
Inelastic electron tunneling spectroscopy of bis(ethylenedithio)tetrathiafulvalene (BEDT-TTF) compounds
|
Garrigou-Lagrange, C. |
|
1994 |
225 |
4-6 |
p. 297-302 6 p. |
artikel |
25 |
Interference effects in product state distributions using time domain information
|
Remacle, F. |
|
1994 |
225 |
4-6 |
p. 503-510 8 p. |
artikel |
26 |
Large-scale ab initio calculations of spectroscopic constants for CNCN
|
Botschwina, Peter |
|
1994 |
225 |
4-6 |
p. 480-485 6 p. |
artikel |
27 |
Linear polarization Raman optical activity. The importance of the non-resonant term in the Kramers—Heisenberg—Dirac dispersion formula under resonance conditions
|
Hecht, Lutz |
|
1994 |
225 |
4-6 |
p. 519-524 6 p. |
artikel |
28 |
Monte Carlo simulation of bimolecular exciton annihilation in an energetically random hopping system
|
Scheidler, M. |
|
1994 |
225 |
4-6 |
p. 431-436 6 p. |
artikel |
29 |
Nuclear coupling constants obtained by the equation-of-motion coupled cluster theory
|
Sekino, Hideo |
|
1994 |
225 |
4-6 |
p. 486-493 8 p. |
artikel |
30 |
Picosecond dynamics of photoinduced electron transfer processes in poly(N-vinylcarbazole) solid film doped with electron acceptors as revealed by transient absorption spectroscopy and dichroism measurements
|
Miyasaka, Hiroshi |
|
1994 |
225 |
4-6 |
p. 315-321 7 p. |
artikel |
31 |
Picosecond kinetics of the excited state of 4-(N,N-dimethylamino)triphenylphosphine at high pressures
|
Hara, Kimihiko |
|
1994 |
225 |
4-6 |
p. 381-385 5 p. |
artikel |
32 |
Rayleigh and Raman optical activity from chiral surfaces
|
Hecht, Lutz |
|
1994 |
225 |
4-6 |
p. 525-530 6 p. |
artikel |
33 |
Shaped pulses in NQR
|
Ageev, S.Z. |
|
1994 |
225 |
4-6 |
p. 499-502 4 p. |
artikel |
34 |
Simultaneous electrochemical and electron paramagnetic resonance studies of keto and hydroxy carotenoids
|
Jeevarajan, A.S. |
|
1994 |
225 |
4-6 |
p. 340-345 6 p. |
artikel |
35 |
Spectral hole burning on silicon phthalocyanines isolated in an argon matrix
|
Braun, Dieter |
|
1994 |
225 |
4-6 |
p. 398-403 6 p. |
artikel |
36 |
Study of an activated carbon by the ESR triple-modulation spectrum method
|
Miyagawa, I. |
|
1994 |
225 |
4-6 |
p. 364-368 5 p. |
artikel |
37 |
Symmetry of a free energy curve in polar solution
|
Yoshimori, A. |
|
1994 |
225 |
4-6 |
p. 494-498 5 p. |
artikel |
38 |
The ICN-INC system: experiment and quantum chemical calculations
|
Samuni, U. |
|
1994 |
225 |
4-6 |
p. 391-397 7 p. |
artikel |
39 |
Theoretical prediction of the structure and the bond energy of the gold (I) complex Au+ (H2O)
|
Hrušák, Jan |
|
1994 |
225 |
4-6 |
p. 416-420 5 p. |
artikel |
40 |
Theoretical study of passivated small fullerenes C24X4 (XN, P, As) and their isoelectronic equivalents (BN)12X4
|
Kaxiras, Efthimios |
|
1994 |
225 |
4-6 |
p. 448-453 6 p. |
artikel |
41 |
Theoretical study of the low-lying states of MgN2 +
|
Maitre, Philippe |
|
1994 |
225 |
4-6 |
p. 467-472 6 p. |
artikel |
42 |
The role of laser-pulse phases in the sub-picosecond optimal infrared multiphoton dissociation of HF
|
Kaluža, Matjaž |
|
1994 |
225 |
4-6 |
p. 335-339 5 p. |
artikel |
43 |
Through-bond interaction in the radical cation of N,N-dimethylpiperazine. Resonance Raman spectroscopy and quantum chemical calculations
|
Brouwer, A.M. |
|
1994 |
225 |
4-6 |
p. 386-390 5 p. |
artikel |
44 |
Vibrational and rotational modes of physisorbed H2 and N2 on Ag(111) surfaces
|
Gruyters, M. |
|
1994 |
225 |
4-6 |
p. 309-314 6 p. |
artikel |