| nr |
titel |
auteur |
tijdschrift |
jaar |
jaarg. |
afl. |
pagina('s) |
type |
| 1 |
Accurate treatment of simple models for self-interaction
|
Fernández, Francisco M.
|
|
1997
|
278 |
4-6 |
p. 352-354
3 p.
|
artikel
|
| 2 |
Additional functional relations in the density functional theory of finite interacting electronic systems
|
Liu, Shubin
|
|
1997
|
278 |
4-6 |
p. 341-344
4 p.
|
artikel
|
| 3 |
A density functional study of CO2 adsorption on the (100) face of Cu(9,4,1) cluster model
|
Au, C.T.
|
|
1997
|
278 |
4-6 |
p. 238-244
7 p.
|
artikel
|
| 4 |
Author index to volume 278
|
|
|
1997
|
278 |
4-6 |
p. 399-405
7 p.
|
artikel
|
| 5 |
Calculation of absolute spectral densities via stochastic estimators of tr{δ(E - H ̂ )}
|
Jeffrey, Stephen J.
|
|
1997
|
278 |
4-6 |
p. 345-351
7 p.
|
artikel
|
| 6 |
Classical reaction probabilities, cross sections and rate constants for the O(1 D) + H 2 → OH + H reaction
|
Alexander, A.J.
|
|
1997
|
278 |
4-6 |
p. 313-324
12 p.
|
artikel
|
| 7 |
Concentration quenching and depolarization of rhodamine 6G in the presence of fluorescent dimers in polyvinyl alcohol films
|
Bojarski, P.
|
|
1997
|
278 |
4-6 |
p. 225-232
8 p.
|
artikel
|
| 8 |
Cross sections and rate constants for the O(1D) + H2 reaction using a single-valued energy-switching potential energy surface
|
Varandas, A.J.C.
|
|
1997
|
278 |
4-6 |
p. 325-332
8 p.
|
artikel
|
| 9 |
Detection and characterization of a reversible solid-solid phase transition at 147 K in crystalline 3,4-bis(dimethylamino)-3-cyclobutene-1,2-dione [chem.phys.letters 275 (1997) 463]
|
Destro, Riccardo
|
|
1997
|
278 |
4-6 |
p. 398-
1 p.
|
artikel
|
| 10 |
Electron-transfer reactivity in the activation of organic fluorides by bare metal monocations
|
Harvey, Jeremy N.
|
|
1997
|
278 |
4-6 |
p. 391-397
7 p.
|
artikel
|
| 11 |
Enhanced collision induced desorption and dissociation of O2 chemisorbed on Ag(001) at grazing incidence
|
Vattuone, L.
|
|
1997
|
278 |
4-6 |
p. 245-250
6 p.
|
artikel
|
| 12 |
Enhanced infrared spectra of azobenzene carboxylic acid LB monolayer on discontinuous silver film
|
Zhao, Jiang
|
|
1997
|
278 |
4-6 |
p. 220-224
5 p.
|
artikel
|
| 13 |
Epstein-Nesbet second-order perturbation treatment of dynamical electron correlation and ground state potential energy curve of Cr2
|
Mitrushenkov, Alexander O.
|
|
1997
|
278 |
4-6 |
p. 285-290
6 p.
|
artikel
|
| 14 |
Flexible docking of a ligand peptide to a receptor protein by multicanonical molecular dynamics simulation
|
Nakajima, Nobuyuki
|
|
1997
|
278 |
4-6 |
p. 297-301
5 p.
|
artikel
|
| 15 |
Lattice relaxation in molecular crystals with localized charges
|
Brovchenko, I.V.
|
|
1997
|
278 |
4-6 |
p. 355-359
5 p.
|
artikel
|
| 16 |
Layer-by-layer self-assembly of composite films of CdS nanoparticle and alkanedithiol on gold: an X-ray photoelectron spectroscopic characterization
|
Nakanishi, Takuya
|
|
1997
|
278 |
4-6 |
p. 233-237
5 p.
|
artikel
|
| 17 |
Luminescence properties of the RbCaF3 crystal at X-ray excitation
|
Belsky, A.N.
|
|
1997
|
278 |
4-6 |
p. 369-372
4 p.
|
artikel
|
| 18 |
Magnetic properties of C60 calculated by continuous transformation of the origin of the current density
|
Zanasi, R.
|
|
1997
|
278 |
4-6 |
p. 251-255
5 p.
|
artikel
|
| 19 |
Phase transition in Pb5Ge2ZrO11 ceramics
|
Nanda Goswami, M.L.
|
|
1997
|
278 |
4-6 |
p. 365-368
4 p.
|
artikel
|
| 20 |
Phase transitions in the antiferroelectric Tl(D x H1−x )2AsO4: a vibrational study of the D-ratio effect
|
Pasquier, B.
|
|
1997
|
278 |
4-6 |
p. 360-364
5 p.
|
artikel
|
| 21 |
Picosecond infrared activation of methanol in acid zeolites
|
Bonn, Mischa
|
|
1997
|
278 |
4-6 |
p. 213-219
7 p.
|
artikel
|
| 22 |
Polymer chain collapse near the lower critical solution temperature
|
Luna-Bárcenas, Gabriel
|
|
1997
|
278 |
4-6 |
p. 302-306
5 p.
|
artikel
|
| 23 |
Proposed growth mechanism of single-walled carbon nanotubes
|
Cornwell, C.F.
|
|
1997
|
278 |
4-6 |
p. 262-266
5 p.
|
artikel
|
| 24 |
Reaction dynamics of the Sr(3 R J) + RI → SrI ∗ + R (R = CH 3, CH3CH2) systems: rotational alignment, electronic state branching ratio and vibrational state population of products
|
Wang, Ming-Liang
|
|
1997
|
278 |
4-6 |
p. 307-312
6 p.
|
artikel
|
| 25 |
Rotationally resolved electronic spectroscopy of 4-aminobenzonitrile
|
Berden, Giel
|
|
1997
|
278 |
4-6 |
p. 373-379
7 p.
|
artikel
|
| 26 |
Spin-correlated radical pairs in photosynthetic reaction centers: role of anisotropic hyperfine interaction as revealed by computational modeling
|
Dzuba, S.A.
|
|
1997
|
278 |
4-6 |
p. 333-340
8 p.
|
artikel
|
| 27 |
Substructures and different energy relaxation time within the first electronic transition of pinacyanol
|
Voigt, G.
|
|
1997
|
278 |
4-6 |
p. 380-390
11 p.
|
artikel
|
| 28 |
Systematic relationships between fullerenes without spirals
|
Yoshida, M.
|
|
1997
|
278 |
4-6 |
p. 256-261
6 p.
|
artikel
|
| 29 |
The calculation of frequency-dependent polarizabilities using current density functional theory
|
Ioannou, Andrew G.
|
|
1997
|
278 |
4-6 |
p. 278-284
7 p.
|
artikel
|
| 30 |
The stability of polymorphs of MgCl2 — an ab initio study
|
Barrera, G.D.
|
|
1997
|
278 |
4-6 |
p. 267-271
5 p.
|
artikel
|
| 31 |
Transferability in multicenter polarizabilities of alkanes and alcohols derived from ab initio polarized one-electron potentials
|
Nakagawa, Setsuko
|
|
1997
|
278 |
4-6 |
p. 272-277
6 p.
|
artikel
|
| 32 |
Transition structures of carbon dioxide fixation, hydration and C2 inversion for a model of Rubisco catalyzed reaction
|
Safont, V.S.
|
|
1997
|
278 |
4-6 |
p. 291-296
6 p.
|
artikel
|
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