| nr |
titel |
auteur |
tijdschrift |
jaar |
jaarg. |
afl. |
pagina('s) |
type |
| 1 |
Ab initio study of the intermolecular potential surface of He–NH3
|
Li, Zhiru
|
|
1999
|
313 |
1-2 |
p. 313-320
|
artikel
|
| 2 |
Absorption cross-sections and absolute concentration of singlet methylene in methane/air flames
|
Derzy, Igor
|
|
1999
|
313 |
1-2 |
p. 121-128
|
artikel
|
| 3 |
Acceleration of the canonical molecular dynamics simulation by the particle mesh Ewald method combined with the multiple time-step integrator algorithm
|
Kawata, Masaaki
|
|
1999
|
313 |
1-2 |
p. 261-266
|
artikel
|
| 4 |
Active sites for methanol synthesis on a Zn/Cu(100) catalyst
|
Hu, Zhen-Ming
|
|
1999
|
313 |
1-2 |
p. 14-18
|
artikel
|
| 5 |
Adenine⋯2,4-difluorotoluene (modified base) pair: potential and free-energy surfaces
|
Ryjáček, Filip
|
|
1999
|
313 |
1-2 |
p. 393-398
|
artikel
|
| 6 |
A Gaussian-2 molecular orbital study of the reaction of CF3 with NO2
|
So, Suk Ping
|
|
1999
|
313 |
1-2 |
p. 307-312
|
artikel
|
| 7 |
A study at the molecular level of the mechanism of surface diffusion at electrode–electrolyte interfaces
|
González Velasco, Jaime
|
|
1999
|
313 |
1-2 |
p. 7-13
|
artikel
|
| 8 |
A theoretical study of the structures and energetics of O−Ar n (n=1–6) clusters
|
Roszak, Szczepan
|
|
1999
|
313 |
1-2 |
p. 198-204
|
artikel
|
| 9 |
A wavefunction and energy of the azide ion in potassium azide obtained by a quantum-mechanically constrained fit to X-ray diffraction data
|
Snyder, James A
|
|
1999
|
313 |
1-2 |
p. 293-298
|
artikel
|
| 10 |
Computation of Coulomb and exchange radial intracule densities
|
Lee, Aaron M.
|
|
1999
|
313 |
1-2 |
p. 271-278
|
artikel
|
| 11 |
Controlling the chain dynamics of polymers at interfaces
|
Mirau, Peter A
|
|
1999
|
313 |
1-2 |
p. 139-144
|
artikel
|
| 12 |
Critical temperature of the LIESST effect in iron(II) spin crossover compounds
|
Létard, Jean-François
|
|
1999
|
313 |
1-2 |
p. 115-120
|
artikel
|
| 13 |
Density functional theory calculations of molecular nitrogen on a ruthenium cluster
|
Shrivastava, Keshav N
|
|
1999
|
313 |
1-2 |
p. 279-282
|
artikel
|
| 14 |
Detailed analysis of the mechanism of net electron spin polarization in liquid phase triplet-radical quenching
|
Shushin, A.I.
|
|
1999
|
313 |
1-2 |
p. 246-254
|
artikel
|
| 15 |
Direct ab initio molecular dynamics study of NO2 ++(H2O)4→HNO3(H7O3 +)
|
Ishikawa, Yasuyuki
|
|
1999
|
313 |
1-2 |
p. 341-350
|
artikel
|
| 16 |
Dispersion coefficients for interactions among two-electron atomic systems
|
Zhu, Jiong-Ming
|
|
1999
|
313 |
1-2 |
p. 184-188
|
artikel
|
| 17 |
Double-well structure and microscopic branching in the O(1 D)+HCl reaction
|
Alvariño, José Marı́a
|
|
1999
|
313 |
1-2 |
p. 299-306
|
artikel
|
| 18 |
Electronic correlation and electron–molecular vibration coupling effects on non-linear optical properties of molecular dimer
|
Yartsev, V.M.
|
|
1999
|
313 |
1-2 |
p. 241-245
|
artikel
|
| 19 |
Energetics and CO-induced lifting of a (1×2) surface reconstruction observed on Pt{311}
|
Kose, Rickmer
|
|
1999
|
313 |
1-2 |
p. 1-6
|
artikel
|
| 20 |
Excitation relaxation of carotenoids within the S2 state probed by the femtosecond fluorescence up-conversion method
|
Akimoto, Seiji
|
|
1999
|
313 |
1-2 |
p. 63-68
|
artikel
|
| 21 |
Fluorescence and excitation spectra of Ag4 in an argon matrix
|
Félix, C.
|
|
1999
|
313 |
1-2 |
p. 105-109
|
artikel
|
| 22 |
Gas-phase catalytic growth of single-walled carbon nanotubes from carbon monoxide
|
Nikolaev, Pavel
|
|
1999
|
313 |
1-2 |
p. 91-97
|
artikel
|
| 23 |
Geminate pair recombination in a conjugated polymer
|
Schweitzer, B
|
|
1999
|
313 |
1-2 |
p. 57-62
|
artikel
|
| 24 |
Geminate recombination of I3 − in cooled liquid and glassy ethanol
|
Wang, Zhaohui
|
|
1999
|
313 |
1-2 |
p. 155-161
|
artikel
|
| 25 |
Growth and thermal destruction of sodium films on Si(111)7×7 surfaces as monitored via second-harmonic generation
|
Boneß, J.
|
|
1999
|
313 |
1-2 |
p. 19-23
|
artikel
|
| 26 |
Intermediate Hamiltonian Fock-space coupled-cluster method
|
Landau, Arie
|
|
1999
|
313 |
1-2 |
p. 399-403
|
artikel
|
| 27 |
Intramolecular energy redistribution in C60 following high-energy collisions with Li+
|
Bernshtein, V.
|
|
1999
|
313 |
1-2 |
p. 52-56
|
artikel
|
| 28 |
Laser ionization time-of-flight mass spectrometer detection of methyl radical produced by ion–molecule reactions in a flowing-afterglow apparatus
|
Li, Jian
|
|
1999
|
313 |
1-2 |
p. 76-84
|
artikel
|
| 29 |
Location of conical intersections by the Pancharatnam connection and the sign-change theorem of Longuet-Higgins: a model calculation with the H4 potential surface
|
Fukumoto, Yuji
|
|
1999
|
313 |
1-2 |
p. 283-292
|
artikel
|
| 30 |
Location of the first excited states of fluorinated ethers, E143a (CH3OCF3), E134 (CHF2OCHF2), and E125 (CHF2OCF3)
|
Good, David A.
|
|
1999
|
313 |
1-2 |
p. 267-270
|
artikel
|
| 31 |
Molecular and Brownian dynamics study of ion selectivity and conductivity in the potassium channel
|
Allen, T.W.
|
|
1999
|
313 |
1-2 |
p. 358-365
|
artikel
|
| 32 |
Molecular dynamics simulation of C20 fullerene
|
Ke, X.Z.
|
|
1999
|
313 |
1-2 |
p. 40-44
|
artikel
|
| 33 |
Monte Carlo study of the temperature dependence of the hydrophobic hydration of benzene
|
Urahata, Sérgio
|
|
1999
|
313 |
1-2 |
p. 235-240
|
artikel
|
| 34 |
Motional narrowing effect in one-dimensional Frenkel chains with configurational disorder
|
Malyshev, V.A.
|
|
1999
|
313 |
1-2 |
p. 255-260
|
artikel
|
| 35 |
Multiple-quantum ESR and distance measurements
|
Borbat, Petr P.
|
|
1999
|
313 |
1-2 |
p. 145-154
|
artikel
|
| 36 |
Non-empirical analysis of the nature of the inhibitor–active-site interactions in leucine aminopeptidase
|
Grembecka, J.
|
|
1999
|
313 |
1-2 |
p. 385-392
|
artikel
|
| 37 |
On the performance of approximate spin–orbit Hamiltonians in light conjugated molecules: the fine-structure splitting of HC6H+, NC5H+, and NC4N+
|
Tatchen, Jörg
|
|
1999
|
313 |
1-2 |
p. 351-357
|
artikel
|
| 38 |
Photoassociation of cesium atoms into the double minimum Cs 2 3 1 Σu + state
|
Ban, T
|
|
1999
|
313 |
1-2 |
p. 110-114
|
artikel
|
| 39 |
Photodissociation of o-bromotoluene at 266 nm
|
Zhu, Rongshun
|
|
1999
|
313 |
1-2 |
p. 98-104
|
artikel
|
| 40 |
Quantum wavepacket dynamics with trajectories: wavefunction synthesis along quantum paths
|
Wyatt, Robert E.
|
|
1999
|
313 |
1-2 |
p. 189-197
|
artikel
|
| 41 |
Rotationally resolved electronic absorption spectra of triacetylene cation in a supersonic jet
|
Pfluger, David
|
|
1999
|
313 |
1-2 |
p. 171-178
|
artikel
|
| 42 |
Selective vibronic excitation and bond breaking by picosecond UV and IR laser pulses: application to a two-dimensional model of HONO2
|
Oppel, M.
|
|
1999
|
313 |
1-2 |
p. 332-340
|
artikel
|
| 43 |
Semiclassical angular scattering in the F+H2→HF+H reaction: Regge pole analysis using the Padé approximation
|
Sokolovski, D.
|
|
1999
|
313 |
1-2 |
p. 225-234
|
artikel
|
| 44 |
Sintering temperature-dependent magnetism and structure in granular perovskites La1−x Sr x MnO z
|
Zhang, Ning
|
|
1999
|
313 |
1-2 |
p. 69-75
|
artikel
|
| 45 |
S8-mediated cyclotrimerization of 4,5-dihydrobenz[l]acephenanthrylene: trinaphthodecacyclene (C60H30) isomers and their propensity towards cyclodehydrogenation
|
Sarobe, M
|
|
1999
|
313 |
1-2 |
p. 31-39
|
artikel
|
| 46 |
Spatial entrainment of patterns during the polymerization of acrylamide in the presence of the methylene blue–sulfide chemical oscillator
|
Fecher, F
|
|
1999
|
313 |
1-2 |
p. 205-210
|
artikel
|
| 47 |
Structure and stability of the Na+·CO2 and Na+·H2O complexes
|
Soldán, Pavel
|
|
1999
|
313 |
1-2 |
p. 379-384
|
artikel
|
| 48 |
The effect of cyclodextrin complexation on the fluorescence properties of ethyl-4′-dimethylaminobenzoate
|
Matsushita, Y.
|
|
1999
|
313 |
1-2 |
p. 85-90
|
artikel
|
| 49 |
The influence of water molecules on the proton position in H3N–HX (X=F,Cl,Br) complexes
|
Biczysko, Małgorzata
|
|
1999
|
313 |
1-2 |
p. 366-373
|
artikel
|
| 50 |
Theoretical calculations of methylquinolinium tricyanoquinodimethanide (CH3Q–3CNQ) using a solvation model
|
Kwon, Ohyun
|
|
1999
|
313 |
1-2 |
p. 321-331
|
artikel
|
| 51 |
Theoretical formalism and experimental confirmation of intermolecular dipolar effects under time-averaged magnetic field gradients
|
Chen, Zhong
|
|
1999
|
313 |
1-2 |
p. 217-224
|
artikel
|
| 52 |
Theoretical study of structures and dynamic properties of Sc3@C82
|
Kobayashi, Kaoru
|
|
1999
|
313 |
1-2 |
p. 45-51
|
artikel
|
| 53 |
Thermal emission of alkaline ions from solid electrolyte: evidence of nonstoichiometric reaction
|
Ichikawa, Tsuneki
|
|
1999
|
313 |
1-2 |
p. 129-133
|
artikel
|
| 54 |
The valence shell binding energy spectra and frontier orbital momentum profiles of methylpropane (isobutane) by binary (e,2e) spectroscopy
|
Deng, J.K.
|
|
1999
|
313 |
1-2 |
p. 134-138
|
artikel
|
| 55 |
Third-order optical nonlinearities of chiral graphene tubules
|
Xie, Rui Hua
|
|
1999
|
313 |
1-2 |
p. 211-216
|
artikel
|
| 56 |
Two-component optical spectra in thin PTCDA films due to the coexistence of α- and β-phase
|
Leonhardt, M
|
|
1999
|
313 |
1-2 |
p. 24-30
|
artikel
|
| 57 |
Tyrosyl radical in galactose oxidase not strongly perturbed by cysteine cross-link
|
Himo, Fahmi
|
|
1999
|
313 |
1-2 |
p. 374-378
|
artikel
|
| 58 |
Vibrationally resolved photoelectron spectroscopy of PO− 3 and the electronic structure of PO3
|
Wang, Xue-Bin
|
|
1999
|
313 |
1-2 |
p. 179-183
|
artikel
|
| 59 |
ZEKE-PFI spectroscopy of the Al–(H2O) and Al–(D2O) complexes
|
Agreiter, J.K.
|
|
1999
|
313 |
1-2 |
p. 162-170
|
artikel
|
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