| nr |
titel |
auteur |
tijdschrift |
jaar |
jaarg. |
afl. |
pagina('s) |
type |
| 1 |
Ab initio study of structures of hydrogen-bonded nitric acid complexes
|
Dimitrova, Yordanka
|
|
2000
|
254 |
2-3 |
p. 125-134
10 p.
|
artikel
|
| 2 |
Activation of CO2 by Zr atom. Matrix-isolation FTIR spectroscopy and density functional studies
|
Zhang, Luning
|
|
2000
|
254 |
2-3 |
p. 231-238
8 p.
|
artikel
|
| 3 |
An experimental and theoretical study of the valence shell photoelectron spectrum of the chlorobenzene molecule
|
Potts, A.W.
|
|
2000
|
254 |
2-3 |
p. 385-405
21 p.
|
artikel
|
| 4 |
Anisotropic double exchange in orbitally degenerate mixed valence systems
|
Borras-Almenar, J.J.
|
|
2000
|
254 |
2-3 |
p. 275-285
11 p.
|
artikel
|
| 5 |
A novel approach to calculation of the second-order nonlinear optical susceptibilities of organic crystals based on energy-band theory
|
Zhu, Xiao-Lei
|
|
2000
|
254 |
2-3 |
p. 287-296
10 p.
|
artikel
|
| 6 |
A study of the molecular structure and spectroscopic properties of benzo- and pyrido-tetraazapentalenes
|
Galasso, V.
|
|
2000
|
254 |
2-3 |
p. 375-384
10 p.
|
artikel
|
| 7 |
A theoretical exploratory study of low-energy (1–2 eV) electron catalysis in the CO 2 +H 2 →HCOOH gas phase process
|
Chevreau, Hilaire
|
|
2000
|
254 |
2-3 |
p. 99-108
10 p.
|
artikel
|
| 8 |
Broadening and shifting coefficients of Raman isotropic Q(j)(j=0,1,2) lines for pure H2: coupled states and semiclassical calculations.
|
Bruet, X
|
|
2000
|
254 |
2-3 |
p. 297-307
11 p.
|
artikel
|
| 9 |
Determination of the structures and barriers to hindered internal rotation of the phenol–methanol cluster in the S0 and S1 states
|
Schmitt, M.
|
|
2000
|
254 |
2-3 |
p. 349-361
13 p.
|
artikel
|
| 10 |
Direct correlation method for OH, NH and CH local modes: vibrational overtone spectroscopy of biphenyl, anthracene, isobutanol, 2-chloroethanol and ethylenediamine at the third overtone region
|
Fedorov, A.V.
|
|
2000
|
254 |
2-3 |
p. 169-179
11 p.
|
artikel
|
| 11 |
Electronic states of CF+
|
Petsalakis, Ioannis D.
|
|
2000
|
254 |
2-3 |
p. 181-186
6 p.
|
artikel
|
| 12 |
Electronic states of diphenyl- and dipyridyl-s-tetrazines: linear and magnetic circular dichroism, and quantum chemical calculations
|
Spanget-Larsen, J.
|
|
2000
|
254 |
2-3 |
p. 135-149
15 p.
|
artikel
|
| 13 |
Femtosecond fluorescence upconversion spectroscopy of vapor-deposited tris(8-hydroxyquinoline) aluminum films
|
Humbs, W.
|
|
2000
|
254 |
2-3 |
p. 319-327
9 p.
|
artikel
|
| 14 |
Ground and excited states of isodiazene – an ab initio study
|
Stepanić, Višnja
|
|
2000
|
254 |
2-3 |
p. 151-168
18 p.
|
artikel
|
| 15 |
Index
|
|
|
2000
|
254 |
2-3 |
p. 421-425
5 p.
|
artikel
|
| 16 |
Index
|
|
|
2000
|
254 |
2-3 |
p. 427-438
12 p.
|
artikel
|
| 17 |
Reactions of ground state Ti atoms with NO: insertion versus complexation. An IR matrix isolation study
|
Krim, Lahouari
|
|
2000
|
254 |
2-3 |
p. 267-274
8 p.
|
artikel
|
| 18 |
Semiempirical modeling free energy surfaces for proton transfer in polar aprotic solvents
|
Vener, M.V.
|
|
2000
|
254 |
2-3 |
p. 249-265
17 p.
|
artikel
|
| 19 |
Silylcyanides and silylisocyanides: a comparative theoretical study
|
Zanchini, Claudia
|
|
2000
|
254 |
2-3 |
p. 187-202
16 p.
|
artikel
|
| 20 |
Singlet–singlet excited-state absorption and triplet–triplet absorption of meso-tetraphenylporphine
|
Gratz, H.
|
|
2000
|
254 |
2-3 |
p. 363-374
12 p.
|
artikel
|
| 21 |
Solvent effect on the vibrational dephasing of the ν 2 (CN) and ν 4 (CC) stretching modes in liquid acetonitrile and acetonitrile-d3
|
Morresi, A.
|
|
2000
|
254 |
2-3 |
p. 337-347
11 p.
|
artikel
|
| 22 |
Some remarks on the application of relaxation techniques to chemical equilibria
|
Galán, Manuel
|
|
2000
|
254 |
2-3 |
p. 329-336
8 p.
|
artikel
|
| 23 |
Structural properties and quantum effects in protonated helium clusters. II. Quantum Monte Carlo calculations for the smaller aggregates
|
Balta, B.
|
|
2000
|
254 |
2-3 |
p. 215-229
15 p.
|
artikel
|
| 24 |
Structural properties and quantum effects in protonated helium clusters. I. The ab initio interaction potential
|
Balta, B
|
|
2000
|
254 |
2-3 |
p. 203-213
11 p.
|
artikel
|
| 25 |
Supersonic jet and solution studies of intramolecular complexes with TICT formation mimicking solute–solvent interaction
|
Bliß, B
|
|
2000
|
254 |
2-3 |
p. 407-420
14 p.
|
artikel
|
| 26 |
The study of A(CH3OH)1–6 (A = Li+, Na+) in the gas phase based on ab initio calculations, analysis of the solvation process
|
Garcı́a-Muruais, Alba
|
|
2000
|
254 |
2-3 |
p. 109-123
15 p.
|
artikel
|
| 27 |
The unimolecular dissociation of 2-butenenitrile: measurements of the CN elimination channel using FM Doppler spectroscopy
|
Li, Runjun
|
|
2000
|
254 |
2-3 |
p. 309-317
9 p.
|
artikel
|
| 28 |
Using antiferromagnetic couplers for high-spin ground states in ion radicals
|
Karabunarliev, Stoyan
|
|
2000
|
254 |
2-3 |
p. 239-247
9 p.
|
artikel
|
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