| nr |
titel |
auteur |
tijdschrift |
jaar |
jaarg. |
afl. |
pagina('s) |
type |
| 1 |
Ab initio study of molecular surface electrostatic potential of hydrogen fluoride clusters (HF) n , (n=2–15)
|
Abu-Awwad, Fakhr M.
|
|
2002
|
360 |
3-4 |
p. 340-348
9 p.
|
artikel
|
| 2 |
Ab initio study of the minimum-energy structure of trans-azobenzene
|
Kurita, Noriyuki
|
|
2002
|
360 |
3-4 |
p. 349-354
6 p.
|
artikel
|
| 3 |
A LAGROBO strategy to fit potential energy surfaces: the OH+HCl reaction
|
Rodriguez, Aurelio
|
|
2002
|
360 |
3-4 |
p. 304-312
9 p.
|
artikel
|
| 4 |
An approach to estimate the energy of the intramolecular hydrogen bond
|
Lipkowski, P
|
|
2002
|
360 |
3-4 |
p. 256-263
8 p.
|
artikel
|
| 5 |
A template-free method for hollow Ag2S semiconductor with a novel quasi-network microstructure
|
Lu, Qingyi
|
|
2002
|
360 |
3-4 |
p. 355-358
4 p.
|
artikel
|
| 6 |
A theoretical study of low-lying singlet electronic states of SF2
|
Liu, Ya-Jun
|
|
2002
|
360 |
3-4 |
p. 400-405
6 p.
|
artikel
|
| 7 |
Catalyst effect on carbon nanotubes synthesized by thermal chemical vapor deposition
|
Lee, Cheol Jin
|
|
2002
|
360 |
3-4 |
p. 250-255
6 p.
|
artikel
|
| 8 |
Chemical oscillations induced by flow transports
|
Wang, Jichang
|
|
2002
|
360 |
3-4 |
p. 289-293
5 p.
|
artikel
|
| 9 |
Crystal chirality of the non-chiral inorganic salt, α-Ni(H2O)6·SO4
|
Harada, Takunori
|
|
2002
|
360 |
3-4 |
p. 217-222
6 p.
|
artikel
|
| 10 |
Density functional investigation on the cycloreversion of cyclobutane radical cation: new reaction mechanism
|
Qu, Zheng-wang
|
|
2002
|
360 |
3-4 |
p. 283-288
6 p.
|
artikel
|
| 11 |
Determination of the ionic and neutral chemical components of a H2O microwave discharge plasma
|
Fujii, Toshihiro
|
|
2002
|
360 |
3-4 |
p. 367-373
7 p.
|
artikel
|
| 12 |
Gauge transformation to study electronic non-adiabatic coupling terms in molecular systems
|
Baer, Michael
|
|
2002
|
360 |
3-4 |
p. 243-249
7 p.
|
artikel
|
| 13 |
Generation and characterization of ionic and neutral silicon dihydroxide Si(OH)2 +/0 and silanoic acid HSi(O)OH+/0 in the gas phase by tandem mass spectrometry and computational chemistry
|
Srikanth, R
|
|
2002
|
360 |
3-4 |
p. 294-303
10 p.
|
artikel
|
| 14 |
Influence of nonadiabatic coupling on oscillatory dephasing
|
Lavoine, J.P.
|
|
2002
|
360 |
3-4 |
p. 320-324
5 p.
|
artikel
|
| 15 |
Introduction of the explicit long-range nonlocality as an alternative to the gradient expansion approximation for the kinetic-energy functional
|
Tran, Fabien
|
|
2002
|
360 |
3-4 |
p. 209-216
8 p.
|
artikel
|
| 16 |
Ionisation and fragmentation of polycyclic aromatic hydrocarbons by femtosecond laser pulses at wavelengths resonant with cation transitions
|
Robson, L
|
|
2002
|
360 |
3-4 |
p. 382-389
8 p.
|
artikel
|
| 17 |
Ionization and structural determination of the major isomer of Pr@C82
|
Wakahara, Takatsugu
|
|
2002
|
360 |
3-4 |
p. 235-239
5 p.
|
artikel
|
| 18 |
Kinetics and thermodynamics of the Al+trimethylaluminum reaction
|
Parker, James K
|
|
2002
|
360 |
3-4 |
p. 313-319
7 p.
|
artikel
|
| 19 |
Low-temperature adsorption of CO on Cu(111) studied by RAIRS
|
Eve, J.K
|
|
2002
|
360 |
3-4 |
p. 202-208
7 p.
|
artikel
|
| 20 |
Low-temperature synthesis of high-purity single-walled carbon nanotubes from alcohol
|
Maruyama, Shigeo
|
|
2002
|
360 |
3-4 |
p. 229-234
6 p.
|
artikel
|
| 21 |
Non-adiabatic couplings in Liouville description of mixed quantum-classical dynamics
|
Ando, Koji
|
|
2002
|
360 |
3-4 |
p. 240-242
3 p.
|
artikel
|
| 22 |
Photoionization of DABCO via high vibrational levels of the S1 state
|
Pratt, S.T
|
|
2002
|
360 |
3-4 |
p. 406-413
8 p.
|
artikel
|
| 23 |
Short-time calculations of resonant tunneling probabilities by the flux-averaging method
|
Berman, Lihu
|
|
2002
|
360 |
3-4 |
p. 374-381
8 p.
|
artikel
|
| 24 |
Six-dimensional quantum dynamics of scattering of (v=0,j=0) H2 and D2 from Cu(111): test of two LEPS potential energy surfaces
|
Somers, M.F
|
|
2002
|
360 |
3-4 |
p. 390-399
10 p.
|
artikel
|
| 25 |
Solvent controlled charge transfer dynamics on diabatic surfaces with different curvatures
|
Casado-Pascual, J.
|
|
2002
|
360 |
3-4 |
p. 333-339
7 p.
|
artikel
|
| 26 |
Spin–orbit coupling with model core potentials
|
Fedorov, Dmitri G
|
|
2002
|
360 |
3-4 |
p. 223-228
6 p.
|
artikel
|
| 27 |
The effect of a dielectric core and embedding medium on the polarizability of metallic nanoshells
|
Prodan, E.
|
|
2002
|
360 |
3-4 |
p. 325-332
8 p.
|
artikel
|
| 28 |
Theoretical studies of the solvent decomposition by lithium atoms in lithium-ion battery electrolyte
|
Han, Young-Kyu
|
|
2002
|
360 |
3-4 |
p. 359-366
8 p.
|
artikel
|
| 29 |
Theoretical study of thiol-induced reconstructions on the Au(111) surface
|
Molina, L.M.
|
|
2002
|
360 |
3-4 |
p. 264-271
8 p.
|
artikel
|
| 30 |
The spin–spin coupling constants in the ammonia dimer
|
Pecul, Magdalena
|
|
2002
|
360 |
3-4 |
p. 272-282
11 p.
|
artikel
|
| 31 |
Triplet formation and decay in conjugated polymer devices
|
Dhoot, A.S
|
|
2002
|
360 |
3-4 |
p. 195-201
7 p.
|
artikel
|
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