| nr |
titel |
auteur |
tijdschrift |
jaar |
jaarg. |
afl. |
pagina('s) |
type |
| 1 |
Ab initio calculations of an M center on the AgBr(100) surface. Formation, electronic structure and spectrum of a primary Ag2 cluster
|
Shelimov, K.B.
|
|
1993
|
201 |
1-4 |
p. 84-88
5 p.
|
artikel
|
| 2 |
Ab initio study of GaB3H8 structures
|
McKee, Michael L.
|
|
1993
|
201 |
1-4 |
p. 47-53
7 p.
|
artikel
|
| 3 |
Ab initio study of the structure and dipole moment of azulene
|
Grimme, S.
|
|
1993
|
201 |
1-4 |
p. 67-74
8 p.
|
artikel
|
| 4 |
A comparison of the bonding in the second-row transition-metal oxides and carbenes
|
Siegbahn, Per E.M.
|
|
1993
|
201 |
1-4 |
p. 15-23
9 p.
|
artikel
|
| 5 |
Alkali-metal-induced bond length contraction of acetonitrile (CH3CN) on Au(100)
|
Neumann, A.
|
|
1993
|
201 |
1-4 |
p. 108-114
7 p.
|
artikel
|
| 6 |
An efficient procedure for calculations of interaction energy in large molecular systems
|
Roszak, Szczepan
|
|
1993
|
201 |
1-4 |
p. 33-36
4 p.
|
artikel
|
| 7 |
A new method of geometry optimization for molecules in solution in the framework of the Born-Kirkwood-Onsager approach
|
Chudinov, G.E.
|
|
1993
|
201 |
1-4 |
p. 250-254
5 p.
|
artikel
|
| 8 |
Anomalous polarization: evidence for vibronic coupling in the allyl radical
|
Getty, James D.
|
|
1993
|
201 |
1-4 |
p. 236-241
6 p.
|
artikel
|
| 9 |
An open-shell restricted Hartree—Fock perturbation theory based on symmetric spin orbitals
|
Lee, Timothy J.
|
|
1993
|
201 |
1-4 |
p. 1-10
10 p.
|
artikel
|
| 10 |
Atomic-like states at atoms on transition metal surfaces
|
Knor, Z.
|
|
1993
|
201 |
1-4 |
p. 97-100
4 p.
|
artikel
|
| 11 |
Baromechanical transduction in a model protein by the ΔT t mechanism
|
Urry, Dan W.
|
|
1993
|
201 |
1-4 |
p. 336-340
5 p.
|
artikel
|
| 12 |
Complex scaling of polynomial potentials
|
Lehr, H.
|
|
1993
|
201 |
1-4 |
p. 278-283
6 p.
|
artikel
|
| 13 |
Computational study of the addition of OH radical to SCS
|
McKee, Michael L.
|
|
1993
|
201 |
1-4 |
p. 41-46
6 p.
|
artikel
|
| 14 |
Concentration fluctuations and the simulation of stirring effects in the Belousov—Zhabotinskii reaction
|
Hlaváčová, Jana
|
|
1993
|
201 |
1-4 |
p. 242-246
5 p.
|
artikel
|
| 15 |
Creation of spin coherent states in the course of chemical reactions
|
Salikhov, Kev M.
|
|
1993
|
201 |
1-4 |
p. 261-264
4 p.
|
artikel
|
| 16 |
Determination of the two-photon absorption spectrum of a soluble polythiophene
|
Pfeffer, Nicola
|
|
1993
|
201 |
1-4 |
p. 357-363
7 p.
|
artikel
|
| 17 |
Difference in the energies of interactions at the binding sites in protein structures
|
Chakrabarti, Pinak
|
|
1993
|
201 |
1-4 |
p. 24-26
3 p.
|
artikel
|
| 18 |
Direct spectroscopic detection of A′ 5Σ+ g state of N2
|
Scripter, Charles
|
|
1993
|
201 |
1-4 |
p. 194-198
5 p.
|
artikel
|
| 19 |
Dispersed fluorescence spectroscopic study of the ground electronic state of silver trimer
|
Ellis, Andrew M.
|
|
1993
|
201 |
1-4 |
p. 132-140
9 p.
|
artikel
|
| 20 |
Evidence for low-frequency (≈ 15 cm−1) collective modes in benzene and pyridine liquids
|
McMorrow, Dale
|
|
1993
|
201 |
1-4 |
p. 369-376
8 p.
|
artikel
|
| 21 |
Excited-state dynamics and viscosity-dependent internal conversion in 3,3-dimethyl-2-phenyl-3H-indole
|
Belletête, Michel
|
|
1993
|
201 |
1-4 |
p. 145-152
8 p.
|
artikel
|
| 22 |
Excited-state proton transfer of 1-naphthol in liquid—solid interface layers. Picosecond time-resolved total internal reflection fluorescence study
|
Yanagimachi, Masatoshi
|
|
1993
|
201 |
1-4 |
p. 115-119
5 p.
|
artikel
|
| 23 |
Finite nucleus effects on relativistic energy corrections
|
Dyall, Kenneth G.
|
|
1993
|
201 |
1-4 |
p. 27-32
6 p.
|
artikel
|
| 24 |
Formation of lambda-doublet components of OH in the bimolecular reactions: H + OX → OH + X
|
Hanazaki, Ichiro
|
|
1993
|
201 |
1-4 |
p. 301-305
5 p.
|
artikel
|
| 25 |
Formulae for the spin-dependent unitary group approach
|
Battle, James S.
|
|
1993
|
201 |
1-4 |
p. 284-293
10 p.
|
artikel
|
| 26 |
Gas-phase ion—molecule reaction in an RF ion trap. Reactivity of the 5d transition series of metal ions (Lu+, Hf+, Ta+, and W+) with O2
|
Matsuo, Yukari
|
|
1993
|
201 |
1-4 |
p. 341-344
4 p.
|
artikel
|
| 27 |
General formulations for some polycyclic hydrocarbons. Constant-isomer series and a formula index
|
Cyvin, S.J.
|
|
1993
|
201 |
1-4 |
p. 273-277
5 p.
|
artikel
|
| 28 |
Geometry- and solvent-polarity-dependent photoinduced electron transfer in conformationally restricted magnesium—free-base hybrid diporphyrins
|
Osuka, Atsuhiro
|
|
1993
|
201 |
1-4 |
p. 223-228
6 p.
|
artikel
|
| 29 |
1H and 13C NMR spectra of benzocyclopropenone in liquid solutions at 193 K
|
Simon, Jens Georg Günther
|
|
1993
|
201 |
1-4 |
p. 377-382
6 p.
|
artikel
|
| 30 |
High resolution He Iα photoelectron spectroscopy of H2CCO and D2CCO using supersonic molecular beams
|
Niu, Baohua
|
|
1993
|
201 |
1-4 |
p. 217-222
6 p.
|
artikel
|
| 31 |
High-resolution He Iα photoelectron spectroscopy of H2CO and D2CO using supersonic molecular beams
|
Niu, Baohua
|
|
1993
|
201 |
1-4 |
p. 212-216
5 p.
|
artikel
|
| 32 |
Kinetics of the reactions H + C2H4 → C2H5, H + C2H5 → 2CH3 and CH3 + C2H5 → products studied by pulse radiolysis combined with infrared diode laser spectroscopy
|
Sillesen, Alfred
|
|
1993
|
201 |
1-4 |
p. 171-177
7 p.
|
artikel
|
| 33 |
Location of the lowest even parity excited singlet state in poly(p-phenylenevinylene) by two-photon fluorescence spectroscopy
|
Baker, C.J.
|
|
1993
|
201 |
1-4 |
p. 127-131
5 p.
|
artikel
|
| 34 |
Low-dimensional effects on frequency dependence of proton NMR relaxation in liquid cyclohexane confined to porous glasses
|
Koziol, P.
|
|
1993
|
201 |
1-4 |
p. 383-386
4 p.
|
artikel
|
| 35 |
Matching polynomials of fullerene clusters
|
Balasubramanian, K.
|
|
1993
|
201 |
1-4 |
p. 306-314
9 p.
|
artikel
|
| 36 |
Molecular structures and vibrational spectra of selenoketene and its thio- and oxo-analogs by second-order Møller—Plesset theory
|
Leszczyński, Jerzy
|
|
1993
|
201 |
1-4 |
p. 79-83
5 p.
|
artikel
|
| 37 |
Negative ion photoelectron spectroscopy of Cr2H and Cr2D
|
Casey, Sean M.
|
|
1993
|
201 |
1-4 |
p. 205-211
7 p.
|
artikel
|
| 38 |
New formalism for the SCF-Xα-SW model with application to large molecular systems or atomic clusters
|
Ren, Wei
|
|
1993
|
201 |
1-4 |
p. 247-249
3 p.
|
artikel
|
| 39 |
Observation of fluorescence from higher excited states in an anthracene crystal
|
Katoh, Ryuzi
|
|
1993
|
201 |
1-4 |
p. 141-144
4 p.
|
artikel
|
| 40 |
Optimized structures of C60O and C60O2 calculated by a damped molecular dynamics optimization scheme
|
Menon, Madhu
|
|
1993
|
201 |
1-4 |
p. 321-325
5 p.
|
artikel
|
| 41 |
Oscillating Franck-Condon factors
|
Ballhausen, C.J.
|
|
1993
|
201 |
1-4 |
p. 269-272
4 p.
|
artikel
|
| 42 |
Pauli repulsion and dispersion interaction in the self-consistent crystal field concept applied to the structures of solid HCN
|
Panas, Itai
|
|
1993
|
201 |
1-4 |
p. 255-260
6 p.
|
artikel
|
| 43 |
Photodissociation of acetaldehyde studied by photofragment excitation spectroscopy in a supersonic free jet
|
Kono, Takumi
|
|
1993
|
201 |
1-4 |
p. 166-170
5 p.
|
artikel
|
| 44 |
Photofragmentation of anionic reaction intermediates formed upon electron attachment to 2-chloroacrylonitrile clusters. Evidence for polymer degradation in the cluster regime
|
Tsukuda, T.
|
|
1993
|
201 |
1-4 |
p. 351-356
6 p.
|
artikel
|
| 45 |
Photon/fragment-ion coincidences following 2 MeV He+ impact on CF4
|
Müller, U.
|
|
1993
|
201 |
1-4 |
p. 387-390
4 p.
|
artikel
|
| 46 |
Prediction of the effect of the geometric phase on product rotational state distributions and integral cross sections
|
Wu, Yi-Shuen Mark
|
|
1993
|
201 |
1-4 |
p. 178-186
9 p.
|
artikel
|
| 47 |
Production of non-stoichiometric SF6 cluster anions by electron attachment to SF6 clusters
|
Rauth, T.
|
|
1993
|
201 |
1-4 |
p. 345-350
6 p.
|
artikel
|
| 48 |
Pulse radiolysis study of buckminsterfullerene in benzene solution. Assignment of the C60 triplet-triplet absorption spectrum
|
Bensasson, R.V.
|
|
1993
|
201 |
1-4 |
p. 326-335
10 p.
|
artikel
|
| 49 |
Resonance hyper-Raman scattering in the VUV. Femtosecond dynamics of the predissociated C state of methyl iodide
|
Campbell, D.J.
|
|
1993
|
201 |
1-4 |
p. 159-165
7 p.
|
artikel
|
| 50 |
Resonances in collinear (He, H+ 2) collisions. A time-dependent quantum-mechanical study
|
Balakrishnan, N.
|
|
1993
|
201 |
1-4 |
p. 294-300
7 p.
|
artikel
|
| 51 |
Rotational dynamics of quinizarin in silicate and aluminosilicate solutions, gels, and glasses
|
L'Espérance, Drew
|
|
1993
|
201 |
1-4 |
p. 229-235
7 p.
|
artikel
|
| 52 |
Second ionization potentials of selected silver and gold clusters
|
Rabin, I.
|
|
1993
|
201 |
1-4 |
p. 265-268
4 p.
|
artikel
|
| 53 |
Spectroscopy of the NO molecule in N2 and mixed N2/Kr matrices
|
Chergui, M.
|
|
1993
|
201 |
1-4 |
p. 187-193
7 p.
|
artikel
|
| 54 |
State-specific multireference Møller—Plesset perturbation treatment for singlet and triplet excited states, ionized states and electron attached states of H2O
|
Hirao, K.
|
|
1993
|
201 |
1-4 |
p. 59-66
8 p.
|
artikel
|
| 55 |
Structure and stability of C24 and B12N12 isomers
|
Jensen, Frank
|
|
1993
|
201 |
1-4 |
p. 89-96
8 p.
|
artikel
|
| 56 |
The ab initio crystal structure determination of α-malonic acid from neutron powder diffraction data
|
Delaplane, R.G.
|
|
1993
|
201 |
1-4 |
p. 75-78
4 p.
|
artikel
|
| 57 |
The bond energies of Cr2 and Cr+ 2
|
Su, Chen-Xing
|
|
1993
|
201 |
1-4 |
p. 199-204
6 p.
|
artikel
|
| 58 |
The ground and low-lying excited states of MgH2 +
|
Bauschlicher Jr., Charles W.
|
|
1993
|
201 |
1-4 |
p. 11-14
4 p.
|
artikel
|
| 59 |
The heat of formation of the CF3CO radical: a note of caution
|
Kerr, J.A.
|
|
1993
|
201 |
1-4 |
p. 391-392
2 p.
|
artikel
|
| 60 |
The Kerr effect in hydrogen
|
Shelton, D.P.
|
|
1993
|
201 |
1-4 |
p. 364-368
5 p.
|
artikel
|
| 61 |
The structure, energetics and harmonic vibrations of B3N
|
Slanina, Zdeněk
|
|
1993
|
201 |
1-4 |
p. 54-58
5 p.
|
artikel
|
| 62 |
Two-photon laser observation of diffusion of Na atoms through self-assembled monolayers on a Au surface
|
Bammel, K.
|
|
1993
|
201 |
1-4 |
p. 101-107
7 p.
|
artikel
|
| 63 |
Ultrafast relaxation in the fluorescent state of the laser dye DCM
|
Easter, David C.
|
|
1993
|
201 |
1-4 |
p. 153-158
6 p.
|
artikel
|
| 64 |
Universal Gaussian basis set for relativistic calculations on atoms and molecules
|
Malli, G.L.
|
|
1993
|
201 |
1-4 |
p. 37-40
4 p.
|
artikel
|
| 65 |
UV-excited luminescences from amorphous and polycrystalline H2O ices
|
Lennon, D.
|
|
1993
|
201 |
1-4 |
p. 120-126
7 p.
|
artikel
|
| 66 |
Vibronic attractive interaction for superconductivity in a local model of C60
|
Tachibana, Akitomo
|
|
1993
|
201 |
1-4 |
p. 315-320
6 p.
|
artikel
|
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