| nr |
titel |
auteur |
tijdschrift |
jaar |
jaarg. |
afl. |
pagina('s) |
type |
| 1 |
A kinetic model of carbon cluster growth including polycyclic rings and fullerene formation
|
Alexandrov, Andrey L.
|
|
1996
|
263 |
3-4 |
p. 551-558
8 p.
|
artikel
|
| 2 |
A posteriori corrections to the configuration interaction method with singles and doubles
|
Meissner, Leszek
|
|
1996
|
263 |
3-4 |
p. 351-359
9 p.
|
artikel
|
| 3 |
Chemical deposition of silver nanoclusters on self-assembled organic monolayers. A strategy to contact individual molecules
|
Grummt, U.-W.
|
|
1996
|
263 |
3-4 |
p. 581-584
4 p.
|
artikel
|
| 4 |
Construction of the adiabatic connection
|
Ernzerhof, Matthias
|
|
1996
|
263 |
3-4 |
p. 499-506
8 p.
|
artikel
|
| 5 |
Density functional theory description of excited-state intramolecular proton transfer
|
Hass, K.C.
|
|
1996
|
263 |
3-4 |
p. 414-422
9 p.
|
artikel
|
| 6 |
Determination of D 0 0 (Ca…HBr) from full and half collision studies. Van der Waals and charge transfer contributions to the formation of Ca…HX (X = Cl, Br) complexes
|
de Castro Vítores, M.
|
|
1996
|
263 |
3-4 |
p. 456-462
7 p.
|
artikel
|
| 7 |
Dielectric response of solvent surrounding an ion pair: Ewald potential versus spherical truncation
|
Del Buono, Gabriela S.
|
|
1996
|
263 |
3-4 |
p. 521-529
9 p.
|
artikel
|
| 8 |
Direct observation of the carbazole hole trap in polymer solid films by the charge-resonance band
|
Hideo Ohkita,
|
|
1996
|
263 |
3-4 |
p. 602-606
5 p.
|
artikel
|
| 9 |
Direct orbital-free calculations using DFT and one-electron Green's functions: applications to atoms
|
Merzel, Franci
|
|
1996
|
263 |
3-4 |
p. 507-512
6 p.
|
artikel
|
| 10 |
Edge enhancement observed with hyperpolarized 3He
|
Saam, B.
|
|
1996
|
263 |
3-4 |
p. 481-487
7 p.
|
artikel
|
| 11 |
Efficient lasing action of rhodamine 6G in Nafion membranes
|
Deshpande, Aparna V.
|
|
1996
|
263 |
3-4 |
p. 449-455
7 p.
|
artikel
|
| 12 |
Electronic energy transfer in supersonic jet expanded naphthalene-(CH2) n -anthracene bichromophoric molecules
|
Rosenblum, Gershon
|
|
1996
|
263 |
3-4 |
p. 441-448
8 p.
|
artikel
|
| 13 |
Evidence of a chaotic transient in a closed unstirred cerium catalyzed Belousov-Zhabotinsky system
|
Rustici, Mauro
|
|
1996
|
263 |
3-4 |
p. 429-434
6 p.
|
artikel
|
| 14 |
Gas-phase acidities of HM(=X)XH (MC, Si; XO, S) acids calculated by ab initio molecular orbital methods at the G2 level of theory
|
Remko, Milan
|
|
1996
|
263 |
3-4 |
p. 379-384
6 p.
|
artikel
|
| 15 |
High-level ab initio calculations on the 1,2-dithioglyoxal/1,2-dithiete isomerism
|
González, Leticia
|
|
1996
|
263 |
3-4 |
p. 407-413
7 p.
|
artikel
|
| 16 |
Identification of a surface reaction product by detection of a vibrational combination band
|
Jakob, Peter
|
|
1996
|
263 |
3-4 |
p. 607-612
6 p.
|
artikel
|
| 17 |
Infrared spectrum of 2,2,2-trichloroethanol isolated in gas matrices. Ab initio optimization of conformers and potential energy calculations
|
Moulin, V.
|
|
1996
|
263 |
3-4 |
p. 423-428
6 p.
|
artikel
|
| 18 |
Integral direct calculation of CC2 excitation energies: singlet excited states of benzene
|
Christiansen, Ove
|
|
1996
|
263 |
3-4 |
p. 530-539
10 p.
|
artikel
|
| 19 |
Isomerization versus hydrogen exchange reaction in the HNC ⇌ HCN conversion
|
Talbi, D.
|
|
1996
|
263 |
3-4 |
p. 385-392
8 p.
|
artikel
|
| 20 |
Modes of electron loss from triphenul phosphonium bromide: an unusual structural switch
|
Mishra, Shuddhodan P.
|
|
1996
|
263 |
3-4 |
p. 476-480
5 p.
|
artikel
|
| 21 |
Multigrid method versus staging algorithm
|
Janke, Wolfhard
|
|
1996
|
263 |
3-4 |
p. 488-494
7 p.
|
artikel
|
| 22 |
Nuclear quadrupole interaction in Sc@C82
|
Rübsam, M.
|
|
1996
|
263 |
3-4 |
p. 540-544
5 p.
|
artikel
|
| 23 |
On the orientation of benzene adsorbed on Cu{110}
|
Lomas, Julian R.
|
|
1996
|
263 |
3-4 |
p. 591-596
6 p.
|
artikel
|
| 24 |
Origin of the anomalous diffusion observed by MD simulation at the protein-water interface
|
Bizzarri, Anna Rita
|
|
1996
|
263 |
3-4 |
p. 559-566
8 p.
|
artikel
|
| 25 |
Photogeneration of ions and radicals in non-polar solutions
|
Burshtein, A.I.
|
|
1996
|
263 |
3-4 |
p. 513-520
8 p.
|
artikel
|
| 26 |
Photoinduced electron transfer and dynamic behavior of charge-separated state nonlinear optical process in a self-assembled porphyrin supramolecular system
|
Tian, Hong-Jian
|
|
1996
|
263 |
3-4 |
p. 471-475
5 p.
|
artikel
|
| 27 |
Regarding the gas-phase acidity of CF3OH
|
Notario, Rafael
|
|
1996
|
263 |
3-4 |
p. 367-370
4 p.
|
artikel
|
| 28 |
Relativistic effects on the bonding of heavy and superheavy hydrogen halides
|
Saue, Trond
|
|
1996
|
263 |
3-4 |
p. 360-366
7 p.
|
artikel
|
| 29 |
Results for dissociative sticking from a parametrization of an exactly solvable model
|
Brivio, G.P.
|
|
1996
|
263 |
3-4 |
p. 597-601
5 p.
|
artikel
|
| 30 |
Scattering of hydrogen molecules from a reactive surface: Strong off-specular and rotationally inelastic diffraction
|
Gross, Axel
|
|
1996
|
263 |
3-4 |
p. 567-573
7 p.
|
artikel
|
| 31 |
STM observations of bridge-bonded CO on Pt(111) and asymmetric on-top CO on Pt(100)
|
Moon-Bong Song,
|
|
1996
|
263 |
3-4 |
p. 585-590
6 p.
|
artikel
|
| 32 |
Subpicosecond two-dimensional Raman spectroscopy applying broadband nanosecond laser radiation
|
Lau, A.
|
|
1996
|
263 |
3-4 |
p. 435-440
6 p.
|
artikel
|
| 33 |
The equilibrium structure and spectroscopic constants of HCP - an ab initio study
|
Koput, Jacek
|
|
1996
|
263 |
3-4 |
p. 401-406
6 p.
|
artikel
|
| 34 |
The IMOMO and IMONM methods for excited states. A study of the adiabatic S0 → T1,2 excitation energies of cyclic alkenes and enones
|
Froese, Robert D.J.
|
|
1996
|
263 |
3-4 |
p. 393-400
8 p.
|
artikel
|
| 35 |
The LiHg X 2Σ+→22II 3 2 transition: excitation spectrum and rotational analysis of the v″ = 0−v′ = 1 band
|
Li, X.
|
|
1996
|
263 |
3-4 |
p. 463-470
8 p.
|
artikel
|
| 36 |
The mechanism of methoxy radical oxidation: hydrogen abstraction versus trioxy radical formation
|
Jungkamp, Tim P.W.
|
|
1996
|
263 |
3-4 |
p. 371-378
8 p.
|
artikel
|
| 37 |
The small reorganization energy of C60 in electron transfer
|
Hiroshi, Imahori
|
|
1996
|
263 |
3-4 |
p. 545-550
6 p.
|
artikel
|
| 38 |
The ultraviolet photochemistry of condensed-phase acetyl chloride
|
Rowland, Brad
|
|
1996
|
263 |
3-4 |
p. 574-580
7 p.
|
artikel
|
| 39 |
Triple differential cross sections for electron impact ionisation of alkali like ion Mg+
|
Biswas, R.
|
|
1996
|
263 |
3-4 |
p. 495-498
4 p.
|
artikel
|
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