| nr |
titel |
auteur |
tijdschrift |
jaar |
jaarg. |
afl. |
pagina('s) |
type |
| 1 |
Accurate structure and torsional barrier heights of hydrogen peroxide
|
Lee, Jae Shin
|
|
2002
|
359 |
5-6 |
p. 440-445
6 p.
|
artikel
|
| 2 |
A completely general methodology for fitting three-dimensional ab initio potential energy surfaces
|
Salazar, Michael R
|
|
2002
|
359 |
5-6 |
p. 460-465
6 p.
|
artikel
|
| 3 |
A Gaussian-3 (G3) theoretical study of the interactions between alkali metal cations and polyhydroxyl ligands
|
Abirami, Seduraman
|
|
2002
|
359 |
5-6 |
p. 500-506
7 p.
|
artikel
|
| 4 |
An ab initio CCSD(T) potential energy surface for the Ar–I2(X) complex
|
Prosmiti, Rita
|
|
2002
|
359 |
5-6 |
p. 473-479
7 p.
|
artikel
|
| 5 |
Author Index
|
|
|
2002
|
359 |
5-6 |
p. 537-546
10 p.
|
artikel
|
| 6 |
Cluster size dependence of the H/D exchange reaction rate constant for protonated water clusters H+(H2O) n (n=2–11)
|
Yamaguchi, Satoru
|
|
2002
|
359 |
5-6 |
p. 480-485
6 p.
|
artikel
|
| 7 |
Computational study on structures, isomerization, and dissociation of [Si,N,C,S]+ isomers
|
Yu, Hai-tao
|
|
2002
|
359 |
5-6 |
p. 373-380
8 p.
|
artikel
|
| 8 |
Counterintuitive interaction of anions with benzene derivatives
|
Quiñonero, David
|
|
2002
|
359 |
5-6 |
p. 486-492
7 p.
|
artikel
|
| 9 |
Doubly-resonant sum-frequency generation spectroscopy for surface studies
|
Raschke, M.B.
|
|
2002
|
359 |
5-6 |
p. 367-372
6 p.
|
artikel
|
| 10 |
Electronic relaxation effect on sequential α-cleavage bond dissociation energy for carbonyl compounds and the heavy analogues
|
Lin, Chiu-Ling
|
|
2002
|
359 |
5-6 |
p. 355-359
5 p.
|
artikel
|
| 11 |
Fitting potential energy surface for reactive scattering dynamics through generalized simulated annealing
|
Vilela, Alessandra F.A.
|
|
2002
|
359 |
5-6 |
p. 420-427
8 p.
|
artikel
|
| 12 |
Fluorescence quenching and lifetime distributions of single molecules on glass surfaces
|
Lee, Minyung
|
|
2002
|
359 |
5-6 |
p. 412-419
8 p.
|
artikel
|
| 13 |
Gaussian-3X (G3X) theory using coupled cluster and Brueckner energies
|
Curtiss, Larry A
|
|
2002
|
359 |
5-6 |
p. 390-396
7 p.
|
artikel
|
| 14 |
Instructions to Authors
|
|
|
2002
|
359 |
5-6 |
p. I-II
nvt p.
|
artikel
|
| 15 |
Low temperature intracage and intercage migration rates for guest atoms of varying sizes in zeolite NaY
|
Ghorai, Pradip Kr.
|
|
2002
|
359 |
5-6 |
p. 507-515
9 p.
|
artikel
|
| 16 |
Molybdenum doped bismuth oxide clusters and their reactivity towards ethene: comparison with pure bismuth oxide clusters
|
Fielicke, André
|
|
2002
|
359 |
5-6 |
p. 360-366
7 p.
|
artikel
|
| 17 |
On the transition from surface to interior solvation in iodide–water clusters
|
Koch, Denise M.
|
|
2002
|
359 |
5-6 |
p. 381-389
9 p.
|
artikel
|
| 18 |
Rechargeable batteries with organic radical cathodes
|
Nakahara, K
|
|
2002
|
359 |
5-6 |
p. 351-354
4 p.
|
artikel
|
| 19 |
Ring current and electron delocalisation in an all-metal cluster, Al4 2−
|
Fowler, P.W.
|
|
2002
|
359 |
5-6 |
p. 530-536
7 p.
|
artikel
|
| 20 |
Selective observation of nitrogen-bonded carbons in solid-state NMR by saturation-pulse induced dipolar exchange with recoupling
|
Schmidt-Rohr, K.
|
|
2002
|
359 |
5-6 |
p. 403-411
9 p.
|
artikel
|
| 21 |
Synthesis of SiC nanorods from sheets of single-walled carbon nanotubes
|
Muñoz, E
|
|
2002
|
359 |
5-6 |
p. 397-402
6 p.
|
artikel
|
| 22 |
Temperature dependence of the pure vibrational dephasing rate in a heteropolymer
|
Leitner, David M.
|
|
2002
|
359 |
5-6 |
p. 434-439
6 p.
|
artikel
|
| 23 |
Tetrahedral covalent radius of Mn in AII 1−x Mn x BVI and AIII 1−xMnxBV compounds – Supplement to the paper: Chem. Phys. Lett. 350 (2001) 577
|
Iwanowski, R.J.
|
|
2002
|
359 |
5-6 |
p. 516-519
4 p.
|
artikel
|
| 24 |
The adsorption of molecular oxygen on neutral and negative Au n clusters (n=2–5)
|
Mills, Greg
|
|
2002
|
359 |
5-6 |
p. 493-499
7 p.
|
artikel
|
| 25 |
The importance of global minimization and adequate theoretical tools for cluster optimization: the Ni6 cluster case
|
Ruette, Fernando
|
|
2002
|
359 |
5-6 |
p. 428-433
6 p.
|
artikel
|
| 26 |
Theoretical investigation of the nature of the ground state in the low-bandgap conjugated polymer, poly(3,4-ethylenedioxythiophene)
|
Dkhissi, A.
|
|
2002
|
359 |
5-6 |
p. 466-472
7 p.
|
artikel
|
| 27 |
Theoretical study of C20 fullerene dimerization: a facile [2+2] cycloaddition
|
Choi, Cheol Ho
|
|
2002
|
359 |
5-6 |
p. 446-452
7 p.
|
artikel
|
| 28 |
Three-dimensional quantum time-dependent study of the photodissociation dynamics of Na⋯FH/D
|
Katz, Gil
|
|
2002
|
359 |
5-6 |
p. 453-459
7 p.
|
artikel
|
| 29 |
Time-dependent density functional study of the static second hyperpolarizability of BB-, NN- and BN-substituted C60
|
Jensen, Lasse
|
|
2002
|
359 |
5-6 |
p. 524-529
6 p.
|
artikel
|
| 30 |
2+1+1 two-color REMPI study of the E 1Π(ν=1)←D 1Δ(ν=10)←X 1Σ+(ν=0) transition in CO: influence of the accidental predissociation in the CO E 1Π(ν=1) state at j=9 and 10
|
Sun, Mengtao
|
|
2002
|
359 |
5-6 |
p. 520-523
4 p.
|
artikel
|
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