| nr |
titel |
auteur |
tijdschrift |
jaar |
jaarg. |
afl. |
pagina('s) |
type |
| 1 |
Ab initio molecular dynamics simulated annealing at the generalized valence bond level. Application to a small nickel cluster
|
Hartke, Bernd
|
|
1993
|
216 |
3-6 |
p. 324-328
5 p.
|
artikel
|
| 2 |
Accurate nonrelativistic energies for the lowest 4S states of Li
|
Lüchow, Arne
|
|
1993
|
216 |
3-6 |
p. 359-361
3 p.
|
artikel
|
| 3 |
A comparative study. The photophysics of 2-phenylbenzoxazoles and 2-phenylbenzothiazoles
|
Chou, Pi-Tai
|
|
1993
|
216 |
3-6 |
p. 300-304
5 p.
|
artikel
|
| 4 |
An alternative mechanism of BH2SH formation in the reaction of B2H6 with SH2: concerted elimination of BH3 and H2 from H2S ·B2H6. Ab initio MO study
|
Mebel, Alexander M.
|
|
1993
|
216 |
3-6 |
p. 313-318
6 p.
|
artikel
|
| 5 |
A photon echo study of pentacene in naphthalene at high pressure
|
Crowell, Robert A.
|
|
1993
|
216 |
3-6 |
p. 293-299
7 p.
|
artikel
|
| 6 |
A separable rotation approximation for the calculation of chemical reaction rates
|
Mielke, Steven L.
|
|
1993
|
216 |
3-6 |
p. 441-446
6 p.
|
artikel
|
| 7 |
A theoretical study of the C2 fragmentation energy of C60 and C70
|
Eckhoff, Wade C.
|
|
1993
|
216 |
3-6 |
p. 399-404
6 p.
|
artikel
|
| 8 |
Author index to volume 216
|
|
|
1993
|
216 |
3-6 |
p. 619-628
10 p.
|
artikel
|
| 9 |
A variant of the Frank chiral amplification model
|
Gutman, Ivan
|
|
1993
|
216 |
3-6 |
p. 447-452
6 p.
|
artikel
|
| 10 |
Beam scattering investigation of hydride-ion transfer processes. Reaction of CH+ 3 and CD+ 3 with C2H6
|
Fárník, Michal
|
|
1993
|
216 |
3-6 |
p. 458-464
7 p.
|
artikel
|
| 11 |
Chemically driven convection. A simple model
|
Diewald, Martin
|
|
1993
|
216 |
3-6 |
p. 566-570
5 p.
|
artikel
|
| 12 |
Collective charge density fluctuations and nonlinear optical responce of C60
|
Takahashi, Akira
|
|
1993
|
216 |
3-6 |
p. 394-398
5 p.
|
artikel
|
| 13 |
Computational study of the structure of dinitraminic acid, HN(NO2)2, and the energetics of some possible decomposition steps
|
Politzer, Peter
|
|
1993
|
216 |
3-6 |
p. 348-352
5 p.
|
artikel
|
| 14 |
Direct construction of diabatic states in the CASSCF approach. Application to the conical intersection of the 1A2 and 1B1 excited states of ozone
|
Domcke, W.
|
|
1993
|
216 |
3-6 |
p. 362-368
7 p.
|
artikel
|
| 15 |
Dissociative chemisorption of O2 on Cu(100). Effects of mechanical energy transfer and recoil
|
Hall, J.
|
|
1993
|
216 |
3-6 |
p. 413-417
5 p.
|
artikel
|
| 16 |
Dual-frequency pump—probe time-resolved spectroscopy
|
Fain, B.
|
|
1993
|
216 |
3-6 |
p. 551-558
8 p.
|
artikel
|
| 17 |
Electronic structure of the ground state and calculated spectrum of low-lying excited states of Mo3X4(aq)4+ 9 (X=O, S) cluster ions
|
Cheng, Wen-Dan
|
|
1993
|
216 |
3-6 |
p. 353-358
6 p.
|
artikel
|
| 18 |
Electron propagator calculations on the electron affinity of C5
|
Ortiz, J.V.
|
|
1993
|
216 |
3-6 |
p. 319-323
5 p.
|
artikel
|
| 19 |
Embedding effects on core level shifts of surface cluster models
|
Krüger, S.
|
|
1993
|
216 |
3-6 |
p. 435-440
6 p.
|
artikel
|
| 20 |
Energy-dependent branching between fluorescence and singlet exciton dissociation in sexithienyl thin films
|
Dippel, O.
|
|
1993
|
216 |
3-6 |
p. 418-423
6 p.
|
artikel
|
| 21 |
Entropy-driven structures of the hexaaqua-sodium(I)
|
Jin Mhin, Byung
|
|
1993
|
216 |
3-6 |
p. 305-308
4 p.
|
artikel
|
| 22 |
Evidence of the indirect predissociation of the F 1Δ state of HCl
|
Liyanage, Rohana
|
|
1993
|
216 |
3-6 |
p. 544-550
7 p.
|
artikel
|
| 23 |
Femtosecond energy transfer within the LH2 peripheral antenna of the photosynthetic purple bacteria Rhodobacter sphaeroides and Rhodopseudomonas palustris LL
|
Hess, Sussan
|
|
1993
|
216 |
3-6 |
p. 247-257
11 p.
|
artikel
|
| 24 |
Fibrous and oriented quantum dots. Synthesis and characterization
|
Chemseddine, A.
|
|
1993
|
216 |
3-6 |
p. 265-269
5 p.
|
artikel
|
| 25 |
First observation of the VNb molecule
|
James, Andrew M.
|
|
1993
|
216 |
3-6 |
p. 512-518
7 p.
|
artikel
|
| 26 |
Fragmentation of the C̃ 2T2 and D̃ 2A1 states of CCl+ 4 and SiCl+ 4 studied by threshold photoelectron—photoion coincidence spectroscopy
|
Smith, D.M.
|
|
1993
|
216 |
3-6 |
p. 493-502
10 p.
|
artikel
|
| 27 |
Generalized model for collisonal exchange of solubilized molecules in microdisperse systems
|
Barzykin, A.V.
|
|
1993
|
216 |
3-6 |
p. 575-578
4 p.
|
artikel
|
| 28 |
Geometry of metallofullerenes adsorbed on the Si (100) 2×1 surface studied by scanning tunneling microscopy
|
Wang, Xiang-Dong
|
|
1993
|
216 |
3-6 |
p. 409-412
4 p.
|
artikel
|
| 29 |
Heats of formation of higher fullerenes from ab initio Hartree—Fock and correlation energy functional calculations
|
Cioslowski, Jerzy
|
|
1993
|
216 |
3-6 |
p. 389-393
5 p.
|
artikel
|
| 30 |
Infrared fluorescence observations of electronic to vibrational energy transfer from Cl* [3p5(2P 1 2 )] to SO2
|
Dolson, David A.
|
|
1993
|
216 |
3-6 |
p. 258-264
7 p.
|
artikel
|
| 31 |
Molecular dynamics simulations of the water/octanoate interface in the presence of micelles
|
Laaksonen, Leif
|
|
1993
|
216 |
3-6 |
p. 429-434
6 p.
|
artikel
|
| 32 |
MRSD-CI and LDF studies of the VN X 3Δ and D 3Π states
|
Mattar, Saba M.
|
|
1993
|
216 |
3-6 |
p. 369-374
6 p.
|
artikel
|
| 33 |
Multiple ionization of rare gas clusters. Theoretical treatment
|
Last, Isidore
|
|
1993
|
216 |
3-6 |
p. 599-605
7 p.
|
artikel
|
| 34 |
Observation of the correlated O 3P j1, 3P j2 state distribution from the predissociation of O2 B 3Σ− u
|
Leahy, David J.
|
|
1993
|
216 |
3-6 |
p. 503-511
9 p.
|
artikel
|
| 35 |
Ortho-, meta-, and para-benzyne. A comparative CCSD (T) investigation
|
Kraka, Elfi
|
|
1993
|
216 |
3-6 |
p. 333-340
8 p.
|
artikel
|
| 36 |
Parallel algorithm for SCF analytic Hessians. I. Small scale algorithm
|
Windus, Theresa L.
|
|
1993
|
216 |
3-6 |
p. 375-379
5 p.
|
artikel
|
| 37 |
Phenomenological theory for short coherence length superconductivity
|
Rabinowitz, Mario
|
|
1993
|
216 |
3-6 |
p. 571-574
4 p.
|
artikel
|
| 38 |
Photochemical hole burning of cationic porphin/saponite intercalation compounds
|
Sakoda, Kazuaki
|
|
1993
|
216 |
3-6 |
p. 270-274
5 p.
|
artikel
|
| 39 |
Photofragmentation dynamics of 2-chloro-2-nitrosopropane. Scalar correlations of velocity and angular momentum
|
Tomer, Jeffrey L.
|
|
1993
|
216 |
3-6 |
p. 286-292
7 p.
|
artikel
|
| 40 |
Photoinitiation of the O− + H2O→OH−+OH ion—molecule reaction within the O− 2·H2O binary complex
|
Buntine, Mark A.
|
|
1993
|
216 |
3-6 |
p. 471-478
8 p.
|
artikel
|
| 41 |
Picosecond transient grating study of the reorientation dynamics of nile red in different classes of solvent
|
Vauthey, Eic
|
|
1993
|
216 |
3-6 |
p. 530-536
7 p.
|
artikel
|
| 42 |
Quantum mechanical close coupling calculations of collision-induced dissociation in He+H2. A discretized continuum model
|
Nobusada, K.
|
|
1993
|
216 |
3-6 |
p. 613-618
6 p.
|
artikel
|
| 43 |
Radiative lifetimes and intramultiplet mixing rate constants for Ga(4d) atoms in Ar
|
Lee, K.
|
|
1993
|
216 |
3-6 |
p. 483-487
5 p.
|
artikel
|
| 44 |
Relativistic effects at the correlated level. An application to interhalogens
|
Ajith Perera, S.
|
|
1993
|
216 |
3-6 |
p. 606-612
7 p.
|
artikel
|
| 45 |
SO(X 3Σ−) production from the 193 nm laser photolysis of thionyl fluoride
|
Wang, Hongxin
|
|
1993
|
216 |
3-6 |
p. 537-543
7 p.
|
artikel
|
| 46 |
Spin contamination in density functional theory
|
Baker, Jon
|
|
1993
|
216 |
3-6 |
p. 380-388
9 p.
|
artikel
|
| 47 |
Stark effect on spectral holes of chlorophyll a at 2 K
|
Altmann, R.B.
|
|
1993
|
216 |
3-6 |
p. 281-285
5 p.
|
artikel
|
| 48 |
Structural heterogeneity in proteins at cryogenic temperatures. Cooling rate dependence
|
Chu, Kelvin
|
|
1993
|
216 |
3-6 |
p. 275-280
6 p.
|
artikel
|
| 49 |
Structures and energetics of Zn(NH3)2+ n (n=4–6). Coordination number of Zn2+ by ammine
|
Kim, Kwang S.
|
|
1993
|
216 |
3-6 |
p. 309-312
4 p.
|
artikel
|
| 50 |
The clock behavior of the BrO− 3SCN− reaction
|
Valent, Ivan
|
|
1993
|
216 |
3-6 |
p. 479-482
4 p.
|
artikel
|
| 51 |
The dependence of the oxygen—metal distance for water adsorbed at a metal electrode
|
Schmickler, Wolfgang
|
|
1993
|
216 |
3-6 |
p. 424-428
5 p.
|
artikel
|
| 52 |
The diffusion equation for a mechanical system in the high-friction limit
|
Battezzati, M.
|
|
1993
|
216 |
3-6 |
p. 585-592
8 p.
|
artikel
|
| 53 |
The interpretation of fluorescence anisotropy decays of probe molecules in membrane systems
|
van der Sijs, D.A.
|
|
1993
|
216 |
3-6 |
p. 559-565
7 p.
|
artikel
|
| 54 |
The kinetic theory of thermal hysteresis of a macromolecule solution
|
Li, Qianzhong
|
|
1993
|
216 |
3-6 |
p. 453-457
5 p.
|
artikel
|
| 55 |
The non-resonant signal in laser-induced grating spectroscopy of gases
|
Govoni, D.E.
|
|
1993
|
216 |
3-6 |
p. 525-529
5 p.
|
artikel
|
| 56 |
Theoretical far-infrared spectra of CO in Ar gas
|
Roco, J.M.M.
|
|
1993
|
216 |
3-6 |
p. 593-598
6 p.
|
artikel
|
| 57 |
Theoretical study of the electronic states of MgC
|
Bauschlicher Jr., Charles W.
|
|
1993
|
216 |
3-6 |
p. 341-347
7 p.
|
artikel
|
| 58 |
The overlap volume in hard spheres under shear
|
Brozsák, István
|
|
1993
|
216 |
3-6 |
p. 329-332
4 p.
|
artikel
|
| 59 |
The spinodal as a reference curve for the high-pressure volumetric behavior of liquids
|
García Baonza, Valentín
|
|
1993
|
216 |
3-6 |
p. 579-584
6 p.
|
artikel
|
| 60 |
The Stokes law radius of the C60 radical anion in n-hexane by time-of-flight mobility measurements
|
Lim, S.K.
|
|
1993
|
216 |
3-6 |
p. 405-408
4 p.
|
artikel
|
| 61 |
Two-photon absorption spectrum of oriented trans-polyacetylene
|
Halvorson, C.
|
|
1993
|
216 |
3-6 |
p. 488-492
5 p.
|
artikel
|
| 62 |
Two-photon-resonant four-wave-mixing spectroscopy of atomic hydrogen in flames
|
Gray, Jeffrey A.
|
|
1993
|
216 |
3-6 |
p. 519-524
6 p.
|
artikel
|
| 63 |
Use of isotopic labeling in establishing reaction mechanisms: CD+ 3 + C2H6
|
Berg, Christian
|
|
1993
|
216 |
3-6 |
p. 465-470
6 p.
|
artikel
|
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