| nr |
titel |
auteur |
tijdschrift |
jaar |
jaarg. |
afl. |
pagina('s) |
type |
| 1 |
Ab-initio molecular deformation barriers using auxiliary-field quantum Monte Carlo with application to the inversion barrier of water
|
Baer, Roi
|
|
2000
|
324 |
1-3 |
p. 101-107
7 p.
|
artikel
|
| 2 |
Accurate quantum-mechanical calculation for O( 1 D)+DCl reaction
|
Lin, Shi Ying
|
|
2000
|
324 |
1-3 |
p. 122-126
5 p.
|
artikel
|
| 3 |
A computational study on electronic structures of Ge n F− and Ge n F (n=3–6) clusters by density functional theory
|
Han, Ju-Guang
|
|
2000
|
324 |
1-3 |
p. 143-148
6 p.
|
artikel
|
| 4 |
A method of determining donor–acceptor distribution functions in Förster resonance energy transfer
|
Rolinski, O.J.
|
|
2000
|
324 |
1-3 |
p. 95-100
6 p.
|
artikel
|
| 5 |
Boron-catalyzed multi-walled carbon nanotube growth with the reduced number of layers by laser ablation
|
Hirahara, K.
|
|
2000
|
324 |
1-3 |
p. 224-230
7 p.
|
artikel
|
| 6 |
Charge transfer excitons in perylenetetracarboxylic dianhydride – microelectrostatic calculations
|
Mazur, Grzegorz
|
|
2000
|
324 |
1-3 |
p. 161-165
5 p.
|
artikel
|
| 7 |
CN( A 2Πi →X 2Σ + ) chemiluminescence from the N+C2N, N+CCl, and N+C2 reactions under low-pressure fast-flow conditions
|
Daugey, N.
|
|
2000
|
324 |
1-3 |
p. 1-6
6 p.
|
artikel
|
| 8 |
Dielectric behavior and percolation phenomena in porous silica gels
|
Saraidarov, T.
|
|
2000
|
324 |
1-3 |
p. 7-14
8 p.
|
artikel
|
| 9 |
Direct calculation of anharmonic vibrational states of polyatomic molecules using density functional theory: spectroscopic tests of recently developed functionals
|
Wright, Nicholas J.
|
|
2000
|
324 |
1-3 |
p. 206-212
7 p.
|
artikel
|
| 10 |
Direct dynamics simulation of the methanethiol cation decomposition
|
Martínez-Núñez, E.
|
|
2000
|
324 |
1-3 |
p. 88-94
7 p.
|
artikel
|
| 11 |
Electronic relaxations in donor–acceptor biphenyls
|
Maus, Michael
|
|
2000
|
324 |
1-3 |
p. 57-63
7 p.
|
artikel
|
| 12 |
Electronic structure investigation of the Al4O4 molecule
|
Chang, Ch
|
|
2000
|
324 |
1-3 |
p. 108-114
7 p.
|
artikel
|
| 13 |
Explicitly correlated R12 coupled cluster calculations for open shell systems
|
Noga, Jozef
|
|
2000
|
324 |
1-3 |
p. 166-174
9 p.
|
artikel
|
| 14 |
Flame synthesis of substrate-supported metal-catalyzed carbon nanotubes
|
Vander Wal, Randall L.
|
|
2000
|
324 |
1-3 |
p. 217-223
7 p.
|
artikel
|
| 15 |
Gain studies of Coumarin 490 dye-doped polymer laser
|
Somasundaram, G
|
|
2000
|
324 |
1-3 |
p. 25-30
6 p.
|
artikel
|
| 16 |
G2(MP2) molecular orbital study of the substituent effect in the H3BPH3−n F n (n=0–3) donor–acceptor complexes
|
Anane, H.
|
|
2000
|
324 |
1-3 |
p. 156-160
5 p.
|
artikel
|
| 17 |
Hybrid density functionals and ab initio studies of 2-pyridone–H2O and 2-pyridone–(H2O)2
|
Dkhissi, Ahmed
|
|
2000
|
324 |
1-3 |
p. 127-136
10 p.
|
artikel
|
| 18 |
Jahn–Teller distortion and merohedral disorder of C60 −· as observed by ESR
|
Bietsch, W.
|
|
2000
|
324 |
1-3 |
p. 37-42
6 p.
|
artikel
|
| 19 |
Langmuir–Blodgett film properties of a donor–acceptor Schiff base
|
Kanthimathi, Mookandi
|
|
2000
|
324 |
1-3 |
p. 43-47
5 p.
|
artikel
|
| 20 |
Molecular dynamics study of biphenyl and 3,5,3′,5′-tetrafluorobiphenyl in CCl4 solution
|
Szymoszek, Andrzej
|
|
2000
|
324 |
1-3 |
p. 115-121
7 p.
|
artikel
|
| 21 |
One-dimensional dipolar-shift spectroscopy under magic angle spinning to determine the chemical-shift anisotropy tensors
|
Wei, Yufeng
|
|
2000
|
324 |
1-3 |
p. 20-24
5 p.
|
artikel
|
| 22 |
On the experimental evidences for 7-azaindole base-pair model ultrafast phototautomerization
|
Douhal, Abderrazzak
|
|
2000
|
324 |
1-3 |
p. 81-87
7 p.
|
artikel
|
| 23 |
On the theoretical reports on 7-azaindole base-pair phototautomerization
|
Douhal, Abderrazzak
|
|
2000
|
324 |
1-3 |
p. 75-80
6 p.
|
artikel
|
| 24 |
Potential energy landscape for proton transfer in (H2O)3H+: comparison of density functional theory and wavefunction-based methods
|
Geissler, Phillip L
|
|
2000
|
324 |
1-3 |
p. 149-155
7 p.
|
artikel
|
| 25 |
Reactivity of Al n C clusters with oxygen: search for new magic clusters
|
Ashman, C
|
|
2000
|
324 |
1-3 |
p. 137-142
6 p.
|
artikel
|
| 26 |
Single-molecule spectroscopy in oxygen-depleted polymer films
|
English, D.S.
|
|
2000
|
324 |
1-3 |
p. 15-19
5 p.
|
artikel
|
| 27 |
Solvation effects on the iodoform ultraviolet direct photodissociation reaction: opening the photoisomerization channel
|
Zheng, Xuming
|
|
2000
|
324 |
1-3 |
p. 175-182
8 p.
|
artikel
|
| 28 |
Steady-state free-precession in nitrogen-14 quadrupolar spin-system with axially symmetric electric field gradient tensor
|
Rudakov, T.N.
|
|
2000
|
324 |
1-3 |
p. 69-74
6 p.
|
artikel
|
| 29 |
Surface defect site density on single walled carbon nanotubes by titration
|
Mawhinney, Douglas B.
|
|
2000
|
324 |
1-3 |
p. 213-216
4 p.
|
artikel
|
| 30 |
Symmetry-breaking collisional energy transfer in the 4ν CH rovibrational manifold of acetylene: spectroscopic evidence of a quasi-continuum of background states
|
Payne, M.A.
|
|
2000
|
324 |
1-3 |
p. 48-56
9 p.
|
artikel
|
| 31 |
Systematic study of the parameters determining stockholder charges
|
Rousseau, B.
|
|
2000
|
324 |
1-3 |
p. 189-194
6 p.
|
artikel
|
| 32 |
The electronic spectrum of linear and rhombic C4
|
Mühlhäuser, Max
|
|
2000
|
324 |
1-3 |
p. 195-200
6 p.
|
artikel
|
| 33 |
The equilibrium structure and relative energy of cis- and trans-hydroxysilylene, HSiOH
|
Koput, Jacek
|
|
2000
|
324 |
1-3 |
p. 201-205
5 p.
|
artikel
|
| 34 |
The molecular structure and conformation of tetrabromoformaldazine: ab initio and DFT calculations
|
Jeong, Myongho
|
|
2000
|
324 |
1-3 |
p. 183-188
6 p.
|
artikel
|
| 35 |
Thermal conductivity of liquid octahydro-1,3,5,7-tetranitro-1,3,5,7-tetrazocine (HMX) from molecular dynamics simulations
|
Bedrov, Dmitry
|
|
2000
|
324 |
1-3 |
p. 64-68
5 p.
|
artikel
|
| 36 |
Third-body dependence of rate coefficients for ozone formation in 16 O–18 O mixtures
|
Guenther, Juergen
|
|
2000
|
324 |
1-3 |
p. 31-36
6 p.
|
artikel
|
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