| nr |
titel |
auteur |
tijdschrift |
jaar |
jaarg. |
afl. |
pagina('s) |
type |
| 1 |
Ab initio calculations on indole–water, 1-methylindole–water and indole–(water)2
|
Mourik, Tanja van
|
|
2000
|
331 |
2-4 |
p. 253-261
9 p.
|
artikel
|
| 2 |
Ab initio dipole moment function of H2S
|
Cours, Thibaud
|
|
2000
|
331 |
2-4 |
p. 317-322
6 p.
|
artikel
|
| 3 |
Absolute partition coefficients for organic solutes by using Monte Carlo simulations in chloroform/water system
|
Tafazzoli, Mohsen
|
|
2000
|
331 |
2-4 |
p. 235-242
8 p.
|
artikel
|
| 4 |
A comparative study of proton migration in water and deuteron transport in heavy water by means of mixed quantum/classical molecular dynamics simulation
|
Zahn, Dirk
|
|
2000
|
331 |
2-4 |
p. 224-228
5 p.
|
artikel
|
| 5 |
A density functional study of CuO2 molecules: structural stability, bonding and temperature effects
|
Pouillon, Y.
|
|
2000
|
331 |
2-4 |
p. 290-298
9 p.
|
artikel
|
| 6 |
Brillouin scattering from C70 and C60 films: a comparative study of elastic properties
|
Murugavel, P
|
|
2000
|
331 |
2-4 |
p. 149-153
5 p.
|
artikel
|
| 7 |
Combined ab initio and anharmonic vibrational spectroscopy calculations for rare gas containing fluorohydrides, HRgF
|
Lundell, Jan
|
|
2000
|
331 |
2-4 |
p. 308-316
9 p.
|
artikel
|
| 8 |
Comment on the formation of He 2 − 4 I g states
|
Bacalis, N.C.
|
|
2000
|
331 |
2-4 |
p. 323-330
8 p.
|
artikel
|
| 9 |
Dipolar spectroscopy and spin alignment in electron paramagnetic resonance
|
Jeschke, G.
|
|
2000
|
331 |
2-4 |
p. 243-252
10 p.
|
artikel
|
| 10 |
Dynamical and thermal properties of polyethylene by ab initio simulation
|
Serra, S.
|
|
2000
|
331 |
2-4 |
p. 339-345
7 p.
|
artikel
|
| 11 |
Electronic interactions in metal complexed photoconducting polymers: a ZINDO study
|
Manas, Eric S
|
|
2000
|
331 |
2-4 |
p. 299-307
9 p.
|
artikel
|
| 12 |
Excited state molecular configuration of biphenyl
|
Sett, P.
|
|
2000
|
331 |
2-4 |
p. 215-223
9 p.
|
artikel
|
| 13 |
Ionic conduction in hydrated zeolite Li-, Na- and K-A at high pressures
|
Rutter, M.D
|
|
2000
|
331 |
2-4 |
p. 189-195
7 p.
|
artikel
|
| 14 |
Is there a barrier for the C 2v insertion reaction in O(1D)+H2? A test dynamics study based on two-valued energy-switching potential energy surfaces
|
Varandas, A.J.C
|
|
2000
|
331 |
2-4 |
p. 331-338
8 p.
|
artikel
|
| 15 |
Kinetics of the two-photon ionization of N,N,N ′,N ′-tetramethylbenzidine in CH2Cl2-doped solid argon
|
Langenscheidt, Andreas
|
|
2000
|
331 |
2-4 |
p. 203-208
6 p.
|
artikel
|
| 16 |
Nano-mechanical cutting and opening of single wall carbon nanotubes
|
Stepanek, I
|
|
2000
|
331 |
2-4 |
p. 125-131
7 p.
|
artikel
|
| 17 |
On the interaction of two conical intersections: the H6 system
|
Varandas, A.J.C.
|
|
2000
|
331 |
2-4 |
p. 285-289
5 p.
|
artikel
|
| 18 |
Phonon confinement in ultrathin nickel films
|
Melikyan, A.
|
|
2000
|
331 |
2-4 |
p. 115-118
4 p.
|
artikel
|
| 19 |
Photoelectric response of pyrrolidinofullerene and bis-pyrrolidinofullerene LB films
|
Zhang, Sheng
|
|
2000
|
331 |
2-4 |
p. 143-148
6 p.
|
artikel
|
| 20 |
Rate coefficients and cross-sections for the reactions of C(3 P J ) atoms with methylacetylene and allene
|
Chastaing, Delphine
|
|
2000
|
331 |
2-4 |
p. 170-176
7 p.
|
artikel
|
| 21 |
Rotational spectrum of the Kr–HCO+ ionic complex
|
Seki, Kouji
|
|
2000
|
331 |
2-4 |
p. 184-188
5 p.
|
artikel
|
| 22 |
Scanning tunneling microscope controlled diffusion on Ag(110)
|
Schulz, J.J
|
|
2000
|
331 |
2-4 |
p. 119-124
6 p.
|
artikel
|
| 23 |
Should one adjust the maximum step size in a Metropolis Monte Carlo simulation?
|
Miller, Mark A.
|
|
2000
|
331 |
2-4 |
p. 278-284
7 p.
|
artikel
|
| 24 |
Strength of the NF(b 1Σ+→X 3Σ−) transition. II. Estimate of the NF ground state dissociation limit by analysis of the Δv=0 emission sequence
|
Di Stefano, G.
|
|
2000
|
331 |
2-4 |
p. 196-202
7 p.
|
artikel
|
| 25 |
Sub-picosecond time-resolved absorption spectroscopy of all-trans-neurosporene in solution and bound to the LH2 complex from Rhodobacter sphaeroides G1C
|
Zhang, Jian-Ping
|
|
2000
|
331 |
2-4 |
p. 154-162
9 p.
|
artikel
|
| 26 |
Switching from molecular to dissociative adsorption with vibrational energy: ethylene on Ag(001)
|
Vattuone, L
|
|
2000
|
331 |
2-4 |
p. 177-183
7 p.
|
artikel
|
| 27 |
The CH+N2 reaction over the ground electronic doublet potential energy surface: a detailed transition state search
|
Moskaleva, L.V
|
|
2000
|
331 |
2-4 |
p. 269-277
9 p.
|
artikel
|
| 28 |
The recombination of H3 + ions with electrons: dependence on partial pressure of H2
|
Glosı́k, J.
|
|
2000
|
331 |
2-4 |
p. 209-214
6 p.
|
artikel
|
| 29 |
Three-center semi-empirical potential energy surfaces for the reactions F+H2O and F+OH
|
Kornweitz, Haya
|
|
2000
|
331 |
2-4 |
p. 132-136
5 p.
|
artikel
|
| 30 |
Toward new energy-rich molecular systems: from N10 to N60
|
Manaa, M.Riad
|
|
2000
|
331 |
2-4 |
p. 262-268
7 p.
|
artikel
|
| 31 |
Transition metal-chlorine anions and cations: monomers, clusters, and periodic trends
|
Ding, Chuan-Fan
|
|
2000
|
331 |
2-4 |
p. 163-169
7 p.
|
artikel
|
| 32 |
Tumbling atoms and evidence for charge transfer in La2@C80@SWNT
|
Smith, Brian W
|
|
2000
|
331 |
2-4 |
p. 137-142
6 p.
|
artikel
|
| 33 |
Uranium triatomic compounds XUY (X,Y=C,N,O): a combined multiconfigurational second-order perturbation and density functional study
|
Gagliardi, Laura
|
|
2000
|
331 |
2-4 |
p. 229-234
6 p.
|
artikel
|
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