| nr |
titel |
auteur |
tijdschrift |
jaar |
jaarg. |
afl. |
pagina('s) |
type |
| 1 |
Ab initio computations of effective exchange integrals for H–H, H–He–H and Mn2O2 complex: comparison of broken-symmetry approaches
|
Soda, T.
|
|
2000
|
319 |
3-4 |
p. 223-230
8 p.
|
artikel
|
| 2 |
Ab initio g-tensor calculations of the thioether substituted tyrosyl radical in galactose oxidase
|
Engström, Maria
|
|
2000
|
319 |
3-4 |
p. 191-196
6 p.
|
artikel
|
| 3 |
An ab initio estimate of correlation effects on the band gap of covalent semiconductors: diamond and silicon
|
Albrecht, Martin
|
|
2000
|
319 |
3-4 |
p. 355-362
8 p.
|
artikel
|
| 4 |
An ab initio Investigation of the dipole moment of the CO2…CO complex
|
Kellö, Vladimir
|
|
2000
|
319 |
3-4 |
p. 231-237
7 p.
|
artikel
|
| 5 |
An accurate local model for triple substitutions in fourth order Møller–Plesset theory and in perturbative corrections to singles and doubles coupled cluster methods
|
Maslen, P.E.
|
|
2000
|
319 |
3-4 |
p. 205-212
8 p.
|
artikel
|
| 6 |
A quantum mechanical study of the ionic interactions in model compounds of polyelectrolite–surfactant complexes derived from polypeptides
|
Alemán, Carlos
|
|
2000
|
319 |
3-4 |
p. 318-326
9 p.
|
artikel
|
| 7 |
Basis-set convergence of the two-electron Darwin term
|
Halkier, Asger
|
|
2000
|
319 |
3-4 |
p. 287-295
9 p.
|
artikel
|
| 8 |
Compressibility of CO intercalated C60 crystals
|
Smaalen, Sander van
|
|
2000
|
319 |
3-4 |
p. 283-286
4 p.
|
artikel
|
| 9 |
Computation of large systems with an economic basis set: a density functional study on proton-bound carboxylic acid clusters
|
Zhang, R.Q
|
|
2000
|
319 |
3-4 |
p. 213-219
7 p.
|
artikel
|
| 10 |
Cooperative magnetic behavior of self-assembled iron(II) chelate chain compounds
|
Müller, Bernd R
|
|
2000
|
319 |
3-4 |
p. 368-374
7 p.
|
artikel
|
| 11 |
Correlated frequency-dependent electronic first hyperpolarizability of small push–pull conjugated chains
|
Jacquemin, Denis
|
|
2000
|
319 |
3-4 |
p. 327-334
8 p.
|
artikel
|
| 12 |
Correlated photofragment product distributions in the photodissociation of NO2 at 212.8 nm
|
Richter, R.C
|
|
2000
|
319 |
3-4 |
p. 341-348
8 p.
|
artikel
|
| 13 |
Data collapse for the Schrödinger equation
|
Serra, Pablo
|
|
2000
|
319 |
3-4 |
p. 273-277
5 p.
|
artikel
|
| 14 |
Effect of deposition rate on the morphology, chemistry and electroluminescence of tris-(8-hydroxyqiunoline) aluminum films
|
Cheng, L.F.
|
|
2000
|
319 |
3-4 |
p. 418-422
5 p.
|
artikel
|
| 15 |
Electronic versus vibrational optical nonlinearities of push-pull polymers
|
Chernyak, Vladimir
|
|
2000
|
319 |
3-4 |
p. 261-264
4 p.
|
artikel
|
| 16 |
Formation of molecular hydrogen on a graphite surface via an Eley–Rideal mechanism
|
Farebrother, Adam J.
|
|
2000
|
319 |
3-4 |
p. 303-308
6 p.
|
artikel
|
| 17 |
Homonuclear dipolar decoupling in solid-state NMR using continuous phase modulation
|
Sakellariou, Dimitris
|
|
2000
|
319 |
3-4 |
p. 253-260
8 p.
|
artikel
|
| 18 |
Hypericin, an intriguing internally heterogenous molecule, forms a covalent intramolecular hydrogen bond
|
Uličný, Jozef
|
|
2000
|
319 |
3-4 |
p. 396-402
7 p.
|
artikel
|
| 19 |
Incorporation of temporally correlated internal motions into the magnetic resonance relaxation treatment while considering interference of different relaxation mechanisms
|
Ravikumar, Muppirala
|
|
2000
|
319 |
3-4 |
p. 197-204
8 p.
|
artikel
|
| 20 |
Intra ion–ion interactions in aqueous solution: β-alanine zwitterion and 1,2-ethenediammonium
|
Nam, Ky-Youb
|
|
2000
|
319 |
3-4 |
p. 391-395
5 p.
|
artikel
|
| 21 |
Ionization-induced conformational changes: REMPI and ZEKE spectroscopy of salicyl and benzyl alcohol
|
Dessent, Caroline E.H.
|
|
2000
|
319 |
3-4 |
p. 375-384
10 p.
|
artikel
|
| 22 |
Large magnetic field effect on the radical pair generated from the photo-induced electron transfer from skatole to 2,4,6-triphenyl pyrilium tetrafluoroborate in aqueous SDS micellar medium
|
Haldar, Mintu
|
|
2000
|
319 |
3-4 |
p. 349-354
6 p.
|
artikel
|
| 23 |
Mass analysis of polyatomic high-Rydberg fragments produced by electron impact on methane
|
Furuya, Kenji
|
|
2000
|
319 |
3-4 |
p. 335-340
6 p.
|
artikel
|
| 24 |
Mechanism of hydroxide mobility
|
Agmon, Noam
|
|
2000
|
319 |
3-4 |
p. 247-252
6 p.
|
artikel
|
| 25 |
Millimeter-wave spectroscopy of HC3P isotopomers and coupled-cluster calculations: the molecular structure of phosphabutadiyne
|
Bizzocchi, Luca
|
|
2000
|
319 |
3-4 |
p. 411-417
7 p.
|
artikel
|
| 26 |
Preparation of isolable ion-radical salt derived from TTF-based spin-polarized donor
|
Nakazaki, Jotaro
|
|
2000
|
319 |
3-4 |
p. 385-390
6 p.
|
artikel
|
| 27 |
Pressure-induced reversible transformation in single-wall carbon nanotube bundles studied by Raman spectroscopy
|
Teredesai, Pallavi V
|
|
2000
|
319 |
3-4 |
p. 296-302
7 p.
|
artikel
|
| 28 |
Radical diffusion measured by the transient grating in a short timescale
|
Ukai, Akihiro
|
|
2000
|
319 |
3-4 |
p. 427-433
7 p.
|
artikel
|
| 29 |
Reactions of photoexcited C60 with weak organic acids. Novel method for the derivatization of fullerenes
|
Fedurco, M
|
|
2000
|
319 |
3-4 |
p. 309-317
9 p.
|
artikel
|
| 30 |
Reversed triplet mechanism CIDEP in triplet azoalkanes
|
Savitsky, A.N.
|
|
2000
|
319 |
3-4 |
p. 403-410
8 p.
|
artikel
|
| 31 |
Spin-correlated crystal field analysis of lanthanide elpasolites
|
Thorne, J.R.G.
|
|
2000
|
319 |
3-4 |
p. 185-190
6 p.
|
artikel
|
| 32 |
Strong and symmetric hydrogen bonding in the hydrogen di-superoxide anion
|
Knak Jensen, S.J
|
|
2000
|
319 |
3-4 |
p. 220-222
3 p.
|
artikel
|
| 33 |
Suppression of sidebands in two-dimensional exchange and MQMAS spectroscopies in solids by variable-speed magic-angle sample spinning
|
Mahesh, T.S
|
|
2000
|
319 |
3-4 |
p. 278-282
5 p.
|
artikel
|
| 34 |
Theoretical study of rare earth trihalide dimers Ln2X6 (Ln=La, Dy; X=F, Cl, Br, I)
|
Kovács, Attila
|
|
2000
|
319 |
3-4 |
p. 238-246
9 p.
|
artikel
|
| 35 |
The rotational spectrum of NCCCNC in excited vibrational states
|
Huckauf, A.
|
|
2000
|
319 |
3-4 |
p. 265-272
8 p.
|
artikel
|
| 36 |
Transient frequency modulation absorption spectroscopy of molecules produced in a laser ablation supersonic expansion source
|
Steimle, Timothy C
|
|
2000
|
319 |
3-4 |
p. 363-367
5 p.
|
artikel
|
| 37 |
Variable-temperature diffraction study of the barrier to rotation and zero-point motion in bis(η6-benzene)chromium
|
Jones, R.H.
|
|
2000
|
319 |
3-4 |
p. 423-426
4 p.
|
artikel
|
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