| nr |
titel |
auteur |
tijdschrift |
jaar |
jaarg. |
afl. |
pagina('s) |
type |
| 1 |
An ab initio study on photodissociation of acetone
|
Liu, Dan
|
|
2000
|
325 |
1-3 |
p. 86-92
7 p.
|
artikel
|
| 2 |
Application of fast field cycling proton NMR relaxation spectroscopy to a crystalline solid
|
Wang, Y.L
|
|
2000
|
325 |
1-3 |
p. 33-38
6 p.
|
artikel
|
| 3 |
Approximate second-order SCF convergence for spin unrestricted wavefunctions
|
Neese, Frank
|
|
2000
|
325 |
1-3 |
p. 93-98
6 p.
|
artikel
|
| 4 |
A theoretical study for the isomers of neutral, cationic and anionic phosphorus clusters P5, P7, P9
|
Chen, M.D.
|
|
2000
|
325 |
1-3 |
p. 22-28
7 p.
|
artikel
|
| 5 |
Atomic and electronic structures of small GaAs clusters
|
Yi, Jae-Yel
|
|
2000
|
325 |
1-3 |
p. 269-274
6 p.
|
artikel
|
| 6 |
Atomic ionization radii using Janak's theorem
|
Sen, K.D.
|
|
2000
|
325 |
1-3 |
p. 29-32
4 p.
|
artikel
|
| 7 |
Au2 2+ has bound excited states
|
Barysz, Maria
|
|
2000
|
325 |
1-3 |
p. 225-231
7 p.
|
artikel
|
| 8 |
Binary fluid mixture confined between macroparticles: surface-induced phase transition and long-range surface forces
|
Kinoshita, Masahiro
|
|
2000
|
325 |
1-3 |
p. 281-287
7 p.
|
artikel
|
| 9 |
Comment on “Assessment of exchange correlation functionals” [A.J. Cohen, N.C. Handy, Chem. Phys. Lett. 316 (2000) 160–166]
|
Ahlrichs, Reinhart
|
|
2000
|
325 |
1-3 |
p. 317-321
5 p.
|
artikel
|
| 10 |
Density functional studies of phenoxyl–Na+ ion complexes: implications for tyrosyl free radical interactions in vitro
|
O'Malley, Patrick J
|
|
2000
|
325 |
1-3 |
p. 69-72
4 p.
|
artikel
|
| 11 |
Density-functional theory of potassium atoms in zeolite
|
Shrivastava, Keshav N.
|
|
2000
|
325 |
1-3 |
p. 1-6
6 p.
|
artikel
|
| 12 |
Determination of effective pair potentials from ab initio simulations: application to liquid water
|
Lyubartsev, A.P.
|
|
2000
|
325 |
1-3 |
p. 15-21
7 p.
|
artikel
|
| 13 |
Excitation energy migration in highly emissive semiconducting polymers
|
List, E.J.W.
|
|
2000
|
325 |
1-3 |
p. 132-138
7 p.
|
artikel
|
| 14 |
Femtosecond laser studies of excited state intramolecular proton transfer in an ultraviolet-filter molecule
|
Fournier, T
|
|
2000
|
325 |
1-3 |
p. 171-175
5 p.
|
artikel
|
| 15 |
Five-membered rings as diazo components in optical data storage devices: an ab initio investigation of the lowest singlet excitation energies
|
Åstrand, Per-Olof
|
|
2000
|
325 |
1-3 |
p. 115-119
5 p.
|
artikel
|
| 16 |
Further investigations of the Ã←X̃ transition of the Kr·NO and Xe·NO complexes using (1+1) REMPI spectroscopy
|
Gamblin, Stuart D.
|
|
2000
|
325 |
1-3 |
p. 232-240
9 p.
|
artikel
|
| 17 |
Hot-band excitation of CO chemisorbed on Ru(001) studied with broadband-IR sum-frequency generation
|
Hess, Ch.
|
|
2000
|
325 |
1-3 |
p. 139-145
7 p.
|
artikel
|
| 18 |
Intrinsic conformer jumps observed by single molecule spectroscopy in real time
|
Stracke, Frank
|
|
2000
|
325 |
1-3 |
p. 196-202
7 p.
|
artikel
|
| 19 |
Ionization of C3F8 by electron and ion impact
|
Jiao, C.Q
|
|
2000
|
325 |
1-3 |
p. 203-211
9 p.
|
artikel
|
| 20 |
IR–UV ion-dip spectroscopy of N-phenyl formamide, and its hydrated clusters
|
Robertson, Evan G.
|
|
2000
|
325 |
1-3 |
p. 299-307
9 p.
|
artikel
|
| 21 |
Ln-4f/ligand-2p covalence in BaLnO3 and Cs3LnF7 (Ln=Ce, Pr, Tb)
|
Hu, Z.
|
|
2000
|
325 |
1-3 |
p. 241-250
10 p.
|
artikel
|
| 22 |
Magnetic field dependent picosecond intersystem crossing. The role of molecular symmetry
|
Gilch, P.
|
|
2000
|
325 |
1-3 |
p. 39-45
7 p.
|
artikel
|
| 23 |
Manifestation of ion-molecular charge transfer in the kinetics of microwave field effect on recombination fluorescence
|
Morozov, V.A.
|
|
2000
|
325 |
1-3 |
p. 106-114
9 p.
|
artikel
|
| 24 |
Molecular dynamics of coil–rod–coil molecules depending on their concentrations in polar or non-polar solvent: intra- and intermolecular interactions and charge transfer emissions
|
Hwang, In-Wook
|
|
2000
|
325 |
1-3 |
p. 219-224
6 p.
|
artikel
|
| 25 |
Molecular gradients for semiempirical CI wavefunctions with floating occupation molecular orbitals
|
Granucci, Giovanni
|
|
2000
|
325 |
1-3 |
p. 79-85
7 p.
|
artikel
|
| 26 |
Monomer and tetramer water clusters adsorbed on Ru(0001)
|
Nakamura, Masashi
|
|
2000
|
325 |
1-3 |
p. 293-298
6 p.
|
artikel
|
| 27 |
Novel selective etching reaction of carbon atoms on molybdenum carbide by oxygen at room temperature visualized by scanning tunneling microscopy
|
Fukui, Ken-ichi
|
|
2000
|
325 |
1-3 |
p. 275-280
6 p.
|
artikel
|
| 28 |
Optical spectroscopy of perfluorothiophenyl, perfluorothionaphthyl, xanthate and dithiophosphinate radicals
|
Plyusnin, V.F.
|
|
2000
|
325 |
1-3 |
p. 153-162
10 p.
|
artikel
|
| 29 |
Orthogonality constrained excited states
|
Surján, Péter R.
|
|
2000
|
325 |
1-3 |
p. 120-126
7 p.
|
artikel
|
| 30 |
Performance of the `parameter free' PBE0 functional for the modeling of molecular properties of heavy metals
|
Vetere, Valentina
|
|
2000
|
325 |
1-3 |
p. 99-105
7 p.
|
artikel
|
| 31 |
Photoinduced chesorluminescence from radical processes on ZrO2 surfaces
|
Andreev, N.S.
|
|
2000
|
325 |
1-3 |
p. 288-292
5 p.
|
artikel
|
| 32 |
Picosecond transient infrared spectra and structure of S1 diphenylacetylene in solution
|
Ishibashi, Taka-aki
|
|
2000
|
325 |
1-3 |
p. 212-218
7 p.
|
artikel
|
| 33 |
Polarization effects in laser photofragmentation of Rydberg Matter clusters K N ∗ in a weak electric field
|
Wang, Jiaxi
|
|
2000
|
325 |
1-3 |
p. 264-268
5 p.
|
artikel
|
| 34 |
Properties and nature of interactions in Cl−(H2O) n n=1,6 clusters: a theoretical study
|
Gora, Robert W
|
|
2000
|
325 |
1-3 |
p. 7-14
8 p.
|
artikel
|
| 35 |
Quantum wave packet dynamics with trajectories: reflections on a downhill ramp potential
|
Lopreore, Courtney L.
|
|
2000
|
325 |
1-3 |
p. 73-78
6 p.
|
artikel
|
| 36 |
Rate constants for the reactions of OH radicals with CF3OCF=CF2 and CF3CF=CF2
|
Tokuhashi, Kazuaki
|
|
2000
|
325 |
1-3 |
p. 189-195
7 p.
|
artikel
|
| 37 |
Relationship between charge transfer and the structural deformation in para-substituted aniline derivatives
|
Mhin, Byung Jin
|
|
2000
|
325 |
1-3 |
p. 61-68
8 p.
|
artikel
|
| 38 |
Singlet and triplet Σ+ excited states of NaH and KH: undulating potential energy curves
|
Lee, Hyo Sug
|
|
2000
|
325 |
1-3 |
p. 46-52
7 p.
|
artikel
|
| 39 |
Spin distributions and excitation spectra of optically generated polarons in poly(p-phenylenevinylene) derivatives
|
Kuroda, S.
|
|
2000
|
325 |
1-3 |
p. 183-188
6 p.
|
artikel
|
| 40 |
Structural study of the 1-3-5 trifluorobenzene dimer stability: from liquid to gas densities using supercritical conditions
|
Cabaço, M.I
|
|
2000
|
325 |
1-3 |
p. 163-170
8 p.
|
artikel
|
| 41 |
Surface states in molecular chains with strong mixing of Frenkel and charge-transfer excitons
|
Agranovich, V.M.
|
|
2000
|
325 |
1-3 |
p. 308-316
9 p.
|
artikel
|
| 42 |
The relaxation process of the excitonic states in polydiacetylene studied by time- and wavenumber-resolved femtosecond coherent anti-Stokes Raman scattering
|
Chen, T.
|
|
2000
|
325 |
1-3 |
p. 176-182
7 p.
|
artikel
|
| 43 |
The up-conversion of near-infrared excitation radiation in Ho3+-doped LiYF4
|
Kück, S.
|
|
2000
|
325 |
1-3 |
p. 257-263
7 p.
|
artikel
|
| 44 |
Ultrafast third-order optical nonlinearity of polybenzonitriles
|
Zhang, Tieqiao
|
|
2000
|
325 |
1-3 |
p. 127-131
5 p.
|
artikel
|
| 45 |
Velocity map imaging and REMPI study of the photodissociation of CH3SCH3 from the first absorption band
|
Quintana, Pablo
|
|
2000
|
325 |
1-3 |
p. 146-152
7 p.
|
artikel
|
| 46 |
What are the possible structures for CN x compounds? The example of C3N
|
Sandré, Éric
|
|
2000
|
325 |
1-3 |
p. 53-60
8 p.
|
artikel
|
| 47 |
White light emission from a single layer organic light emitting diode fabricated by spincoating
|
Yang, J.P
|
|
2000
|
325 |
1-3 |
p. 251-256
6 p.
|
artikel
|
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