| nr |
titel |
auteur |
tijdschrift |
jaar |
jaarg. |
afl. |
pagina('s) |
type |
| 1 |
Ab initio study for the intermolecular potential of the water–nitric oxide complex
|
Myszkiewicz, Grzegorz
|
|
2000
|
318 |
1-3 |
p. 232-239
8 p.
|
artikel
|
| 2 |
Ab initio three-dimensional quantum dynamics of Ag3 clusters in the NeNePo process
|
Andrianov, I.
|
|
2000
|
318 |
1-3 |
p. 256-262
7 p.
|
artikel
|
| 3 |
A molecular level explanation of the density maximum of liquid water from computer simulations with a polarizable potential model
|
Jedlovszky, Pál
|
|
2000
|
318 |
1-3 |
p. 155-160
6 p.
|
artikel
|
| 4 |
Anti-Arrhenius behaviour in positronium chemistry: a Kramers' turnover?
|
Gangopadhyay, D.
|
|
2000
|
318 |
1-3 |
p. 161-167
7 p.
|
artikel
|
| 5 |
A theoretical study on the molecular mechanism for the normal Reimer–Tiemann reaction
|
Castillo, R
|
|
2000
|
318 |
1-3 |
p. 270-275
6 p.
|
artikel
|
| 6 |
Can the molecule involved in a CT interaction reorient itself in the crystal lattice? Phase transition and glass transition in trans-stilbene-TCNQ 1 Contribution No. 11 from the Research Center for Molecular Thermodynamics. 1
|
Saito, Kazuya
|
|
2000
|
318 |
1-3 |
p. 75-78
4 p.
|
artikel
|
| 7 |
Characterization of H–Y zeolite modified by a radio-frequency CF4 plasma
|
Furukawa, Katsuhiko
|
|
2000
|
318 |
1-3 |
p. 22-26
5 p.
|
artikel
|
| 8 |
Correlation between hardness and activation energies for reactions of OH radical with halomethanes
|
Chandra, Asit K
|
|
2000
|
318 |
1-3 |
p. 69-74
6 p.
|
artikel
|
| 9 |
Corrigendum to: “The (3)1 Π–(3)1 Σ + systems of KRb”[Chem. Phys. Lett. 315 (1999) 55–60] 1 PII of original article: S0009-2614(99)011987. 1
|
Amiot, C.
|
|
2000
|
318 |
1-3 |
p. 289-
1 p.
|
artikel
|
| 10 |
Diagrammatic CASPT2 using an internally contracted basis
|
Finley, James P.
|
|
2000
|
318 |
1-3 |
p. 190-195
6 p.
|
artikel
|
| 11 |
2-Dimensional surface properties of ω-methoxy poly(ethylene glycol) macromonomer and homopolymer at the air–water interface
|
Geetha, Baskar
|
|
2000
|
318 |
1-3 |
p. 35-42
8 p.
|
artikel
|
| 12 |
Dissociative chemisorption of molecular chlorine on Si(100) – a first principles study
|
Liu, Z.F.
|
|
2000
|
318 |
1-3 |
p. 15-21
7 p.
|
artikel
|
| 13 |
Electronic spectra of the CH3CNCXY(X,Y=H,Cl) nitrile ylides: an ab initio multiconfigurational second-order quasidegenerate perturbation theory study
|
Pliego Jr., Josefredo R.
|
|
2000
|
318 |
1-3 |
p. 142-148
7 p.
|
artikel
|
| 14 |
Exciplex formation reaction in benzaldehyde-1,4-dimethoxybenzene clusters
|
Kawai, Akio
|
|
2000
|
318 |
1-3 |
p. 85-92
8 p.
|
artikel
|
| 15 |
Excited-state relaxation properties of ionic and nonionic donor–acceptor biphenyl derivatives
|
Rettig, Wolfgang
|
|
2000
|
318 |
1-3 |
p. 173-180
8 p.
|
artikel
|
| 16 |
Fluorescence quenching dynamics of azulene and 2-haloazulenes by CCl4 in nonpolar solvents
|
Kim, So Yeon
|
|
2000
|
318 |
1-3 |
p. 63-68
6 p.
|
artikel
|
| 17 |
Formation of BrO in the photo oxidation of CF2Br2
|
Dhanya, S.
|
|
2000
|
318 |
1-3 |
p. 125-130
6 p.
|
artikel
|
| 18 |
Formation of persistent contact ion pairs in solid argon
|
Gödicke, Björn
|
|
2000
|
318 |
1-3 |
p. 102-106
5 p.
|
artikel
|
| 19 |
Gas-phase acidity and C–H bond energy of diacetylene
|
Shi, Yang
|
|
2000
|
318 |
1-3 |
p. 149-154
6 p.
|
artikel
|
| 20 |
Generalized idempotency purification transform in linear scaling self-consistent field theory
|
Kryachko, Eugene S.
|
|
2000
|
318 |
1-3 |
p. 210-213
4 p.
|
artikel
|
| 21 |
H-Chabazite with variable Si/Al ratio: stability and OH vibrational frequency computed in a periodic LCAO B3-LYP approach
|
Ugliengo, P.
|
|
2000
|
318 |
1-3 |
p. 247-255
9 p.
|
artikel
|
| 22 |
Importance of secondary electrostatic interactions in hydrogen-bonding complexes: an investigation using the self-consistent charge and configuration method for subsystems
|
Uchimaru, Tadafumi
|
|
2000
|
318 |
1-3 |
p. 203-209
7 p.
|
artikel
|
| 23 |
Investigation of the effects of substitution position on the radical anions of chlorobiphenyls
|
Pan, Duohai
|
|
2000
|
318 |
1-3 |
p. 214-221
8 p.
|
artikel
|
| 24 |
Is the dipole polarizability of hydrogen iodide accurately known?
|
Maroulis, George
|
|
2000
|
318 |
1-3 |
p. 181-189
9 p.
|
artikel
|
| 25 |
Molecular dynamics simulation of hydrogen isotope-terminated silicon(111) and (110) surfaces: calculation of vibrational energy relaxation rates of hydrogen isotope stretching modes
|
Sun, Ying-Chieh
|
|
2000
|
318 |
1-3 |
p. 7-14
8 p.
|
artikel
|
| 26 |
Molecular properties using bi-orthogonal functional: a de-coupled scheme
|
Vaval, Nayana
|
|
2000
|
318 |
1-3 |
p. 168-172
5 p.
|
artikel
|
| 27 |
Multicomponent emission from organic light emitting diodes based on polymer dispersion of an aromatic diamine and an oxadiazole derivative
|
Giro, G
|
|
2000
|
318 |
1-3 |
p. 137-141
5 p.
|
artikel
|
| 28 |
Nanoscale chemical analysis by tip-enhanced Raman spectroscopy
|
Stöckle, Raoul M.
|
|
2000
|
318 |
1-3 |
p. 131-136
6 p.
|
artikel
|
| 29 |
Neutron powder diffraction study of potassium clusters in zeolite K-LTA
|
Ikeda, T.
|
|
2000
|
318 |
1-3 |
p. 93-101
9 p.
|
artikel
|
| 30 |
NO+·O2 versus NO3 + – which is the more stable?
|
Lee, Edmond P.F.
|
|
2000
|
318 |
1-3 |
p. 196-202
7 p.
|
artikel
|
| 31 |
Picosecond time-resolved fluorescence depolarization of p-terphenyl at high pressures
|
Ito, Naoki
|
|
2000
|
318 |
1-3 |
p. 118-124
7 p.
|
artikel
|
| 32 |
Quantum interference effect on collisional energy transfer within singlet∼triplet mixed states of Na2 A 1 Σ + u (v=8)∼ b 3 Π 0u (v=14)
|
Chen, X.L
|
|
2000
|
318 |
1-3 |
p. 107-112
6 p.
|
artikel
|
| 33 |
Relaxation in excited states of porphycene in low-temperature argon and nitrogen matrices
|
Dobkowski, Jacek
|
|
2000
|
318 |
1-3 |
p. 79-84
6 p.
|
artikel
|
| 34 |
Studies of nonlinear absorption and refraction in C60/toluene solution
|
Wei, Tai-Huei
|
|
2000
|
318 |
1-3 |
p. 53-57
5 p.
|
artikel
|
| 35 |
Synthesis of novel Sb2O3 and Sb2O5 nanorods
|
Guo, Lin
|
|
2000
|
318 |
1-3 |
p. 49-52
4 p.
|
artikel
|
| 36 |
The adsorption of aromatics on sp-metals: benzene on Al(111)
|
Duschek, R.
|
|
2000
|
318 |
1-3 |
p. 43-48
6 p.
|
artikel
|
| 37 |
The electronic structure of some acyl azides: cyclic–open tautomerism
|
Abu-Eittah, Rafie H.
|
|
2000
|
318 |
1-3 |
p. 276-288
13 p.
|
artikel
|
| 38 |
The nuclear quadrupole moment of 91 Zr from molecular data for ZrO and ZrS
|
Kellö, Vladimir
|
|
2000
|
318 |
1-3 |
p. 222-231
10 p.
|
artikel
|
| 39 |
Theoretical study of the electron–spin magnetic moment (g-tensor) of FCl−
|
Bruna, Pablo J
|
|
2000
|
318 |
1-3 |
p. 263-269
7 p.
|
artikel
|
| 40 |
Thermodynamics in the folding phase-transition of single T4DNA molecules in poly(ethylene glycol) solution
|
Mayama, H
|
|
2000
|
318 |
1-3 |
p. 113-117
5 p.
|
artikel
|
| 41 |
Thin β-SiC nanorods and their field emission properties
|
Zhou, X.T
|
|
2000
|
318 |
1-3 |
p. 58-62
5 p.
|
artikel
|
| 42 |
Two-dimensional Ga-induced magic clusters on the Si surface: a density functional study
|
Mebel, A.M
|
|
2000
|
318 |
1-3 |
p. 27-34
8 p.
|
artikel
|
| 43 |
Ultrafast energy transfer of silver ultrafine particles in aqueous solutions as investigated by the ultrafast lensing effect technique
|
Ito, Kazuki
|
|
2000
|
318 |
1-3 |
p. 1-6
6 p.
|
artikel
|
| 44 |
V OH center in magnesium oxide: an ab initio supercell study
|
Lichanot, A.
|
|
2000
|
318 |
1-3 |
p. 240-246
7 p.
|
artikel
|
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