| nr |
titel |
auteur |
tijdschrift |
jaar |
jaarg. |
afl. |
pagina('s) |
type |
| 1 |
Ab initio calculations of the ground and excited states of I2 − and ICl−
|
Maslen, P.E.
|
|
1996
|
263 |
1-2 |
p. 63-72
10 p.
|
artikel
|
| 2 |
Ab initio calculations of the ring-opened and ring-closed isomers of C2H4O+: the need for high level electron correlation techniques
|
BelBruno, Joseph J.
|
|
1996
|
263 |
1-2 |
p. 84-90
7 p.
|
artikel
|
| 3 |
Ab initio conformational study of 2,2′:5′,2″-terthiophene
|
Ciofalo, Maurizio
|
|
1996
|
263 |
1-2 |
p. 73-78
6 p.
|
artikel
|
| 4 |
Ab initio MO studies on the photodissociation of C2H2 from the S1 (1Au) state. Non-adiabatic effects and S-T interaction
|
Cui, Qiang
|
|
1996
|
263 |
1-2 |
p. 46-53
8 p.
|
artikel
|
| 5 |
Ab initio MO studies on the photodissociation of the methoxy family CX3Y (X H, F; Y O, S) from the Ã2A1 state
|
Cui, Qiang
|
|
1996
|
263 |
1-2 |
p. 54-62
9 p.
|
artikel
|
| 6 |
A CASSCF study of the S0 and S1 states of phenol
|
Schumm, S.
|
|
1996
|
263 |
1-2 |
p. 126-132
7 p.
|
artikel
|
| 7 |
A new application of absorbing boundary conditions for computing collinear quantum reactive scattering matrix elements
|
Calfas, R.S.
|
|
1996
|
263 |
1-2 |
p. 292-296
5 p.
|
artikel
|
| 8 |
Approximate full configuration interaction calculations of total energies, harmonic vibrational frequencies and equilibrium bond distances on F2, BF, C2, CN+ and NO+ molecules in a DZ + P basis set
|
Wulfov, Alexander L.
|
|
1996
|
263 |
1-2 |
p. 79-83
5 p.
|
artikel
|
| 9 |
Attachment rate constants in decaying air plasmas: the role of second kind collisions from electronically excited states
|
Dyatko, N.A.
|
|
1996
|
263 |
1-2 |
p. 305-312
8 p.
|
artikel
|
| 10 |
Calculation of autocorrelation functions using the Wigner representation of quantum mechanics
|
Garashchuk, Sophya
|
|
1996
|
263 |
1-2 |
p. 324-330
7 p.
|
artikel
|
| 11 |
Characterization of highly conducting, ultra-thin polyaniline films produced by evaporative deposition
|
Plank, R.V.
|
|
1996
|
263 |
1-2 |
p. 33-38
6 p.
|
artikel
|
| 12 |
Chemical physics of excitation dynamics via amplified spontaneous emission (ASE) laser spike spectroscopy in substituted phenyloxazoles
|
del Valle, Juan Carlos
|
|
1996
|
263 |
1-2 |
p. 154-160
7 p.
|
artikel
|
| 13 |
Clustering dynamics of fullerenes in C60/C70-chemically modified poly(N-vinylcarbazole)
|
Zhao, Li
|
|
1996
|
263 |
1-2 |
p. 235-240
6 p.
|
artikel
|
| 14 |
Comment on “A computational study of the structures of van der Waals and hydrogen-bonded complexes of ethene and ethyne”
|
Jeong, Ho Young
|
|
1996
|
263 |
1-2 |
p. 345-347
3 p.
|
artikel
|
| 15 |
Directing the pore dimensions in the mesoporous molecular sieve MCM-41
|
Cheng, Chi-Feng
|
|
1996
|
263 |
1-2 |
p. 247-252
6 p.
|
artikel
|
| 16 |
Dissociation energy of the molecule GeCl
|
Hildenbrand, D.L.
|
|
1996
|
263 |
1-2 |
p. 145-147
3 p.
|
artikel
|
| 17 |
Editorial Board
|
|
|
1996
|
263 |
1-2 |
p. ii-
1 p.
|
artikel
|
| 18 |
Effects of slow motion on deuteron relaxation time anisotropy
|
Vold, Robert L.
|
|
1996
|
263 |
1-2 |
p. 271-275
5 p.
|
artikel
|
| 19 |
Effects of the mixing of charge transfer and molecular excitations on the resonance Raman properties of symmetric radical dimers
|
Mulloni, V.
|
|
1996
|
263 |
1-2 |
p. 331-337
7 p.
|
artikel
|
| 20 |
EPR lineshapes and dynamics of TEMPOL solubilized in the aqueous microphase of lecithin/cyclohexane/water reverse micelles
|
Ilangovan, U.
|
|
1996
|
263 |
1-2 |
p. 223-227
5 p.
|
artikel
|
| 21 |
Erratum
|
|
|
1996
|
263 |
1-2 |
p. 350-
1 p.
|
artikel
|
| 22 |
Femtosecond optical Kerr study of heavy atom effects on the third-order optical nonlinearity of thiophene homologues: purely electronic contribution
|
Kamada, Kenji
|
|
1996
|
263 |
1-2 |
p. 215-222
8 p.
|
artikel
|
| 23 |
Frequency and time resolved coherent Stokes Raman scattering in CS2 using incoherent light
|
Stimson, Michael J.
|
|
1996
|
263 |
1-2 |
p. 185-190
6 p.
|
artikel
|
| 24 |
HeHF scattering cross sections from an ab initio SAPT potential: confrontation with experiment
|
Moszynski, Robert
|
|
1996
|
263 |
1-2 |
p. 107-112
6 p.
|
artikel
|
| 25 |
Hydroxyl radical induced reactions with 1-bromo-2-fluorobenzene in aqueous solutions: formation of radical cations
|
Mohan, Hari
|
|
1996
|
263 |
1-2 |
p. 263-270
8 p.
|
artikel
|
| 26 |
Infrared spectroscopy of methyl groups on silicon
|
Kong, Maynard J.
|
|
1996
|
263 |
1-2 |
p. 1-7
7 p.
|
artikel
|
| 27 |
Infrared study of sulphur at high pressures
|
Anderson, A.
|
|
1996
|
263 |
1-2 |
p. 133-137
5 p.
|
artikel
|
| 28 |
Laser photolysis of ND4 . and trimethylamine formed by collisional neutralization of their cations in the gas phase
|
Sadílek, Martin
|
|
1996
|
263 |
1-2 |
p. 203-208
6 p.
|
artikel
|
| 29 |
Local quantum chemistry. Incorporation of pseudospectral methodology into the local space approximation
|
Kirtman, Bernard
|
|
1996
|
263 |
1-2 |
p. 313-316
4 p.
|
artikel
|
| 30 |
Microwave spectra and quadrupole coupling measurements for methyl rhenium trioxide
|
Sickafoose, S.M.
|
|
1996
|
263 |
1-2 |
p. 191-196
6 p.
|
artikel
|
| 31 |
Morphology and local electronic structure of metal particles on metal oxide surfaces: a scanning tunneling microscopic and scanning tunneling spectroscopic study
|
Xu, Chen
|
|
1996
|
263 |
1-2 |
p. 13-18
6 p.
|
artikel
|
| 32 |
Novel-type chemical bonding in TlF due to 6s2 inert pair activation
|
Gabuda, S.P.
|
|
1996
|
263 |
1-2 |
p. 253-258
6 p.
|
artikel
|
| 33 |
Optical limiting in short chain basket handle porphyrins
|
Sevian, Armen
|
|
1996
|
263 |
1-2 |
p. 241-246
6 p.
|
artikel
|
| 34 |
Parameterization and efficient implementation of a solvent model for linear-scaling semiempirical quantum mechanical calculations of biological macromolecules
|
York, Darrin M.
|
|
1996
|
263 |
1-2 |
p. 297-304
8 p.
|
artikel
|
| 35 |
Peculiar glass transition temperature rise with decreasing salt concentration in aqueous butyltripropylammonium chloride solution
|
Ohnishi, A.
|
|
1996
|
263 |
1-2 |
p. 259-262
4 p.
|
artikel
|
| 36 |
Photoabsorption and fluorescence excitation spectra of CF3CN in the region of 6–41 eV
|
Ibuki, Toshio
|
|
1996
|
263 |
1-2 |
p. 173-177
5 p.
|
artikel
|
| 37 |
Photodissociation of alkyl nitrites adsorbed on an MgF2 surface. Rotational and translational energy distributions of product NO(ν, J) molecules
|
Simpson, C.J.S.M.
|
|
1996
|
263 |
1-2 |
p. 19-24
6 p.
|
artikel
|
| 38 |
Positive exchange interaction in the radical ion pair of benzophenone anion and 1,4-diazabicyclo[2,2,2]octane cation radicals studied by FT-EPR spectroscopy
|
Sekiguchi, Shinji
|
|
1996
|
263 |
1-2 |
p. 161-166
6 p.
|
artikel
|
| 39 |
Properties of the path-class expansion in the continuous limit
|
Krempl, Stefan
|
|
1996
|
263 |
1-2 |
p. 283-291
9 p.
|
artikel
|
| 40 |
Pump-probe photodepletion spectroscopy of (C6H6)2 +. Identification of spectrum in the charge resonance band region
|
Ohashi, Kazuhiko
|
|
1996
|
263 |
1-2 |
p. 167-172
6 p.
|
artikel
|
| 41 |
Quantum chemical computations on parts of large molecules: the ab initio local self consistent field method
|
Assfeld, Xavier
|
|
1996
|
263 |
1-2 |
p. 100-106
7 p.
|
artikel
|
| 42 |
Quantum chemical coupled cluster study of the structure and spectra of the ground and first excited states of the ketenyl radical
|
Szalay, Péter G.
|
|
1996
|
263 |
1-2 |
p. 91-99
9 p.
|
artikel
|
| 43 |
Reaction dynamics of hot naphthalene molecules in the gas phase with ArF laser excitation
|
Suzuki, Tadashi
|
|
1996
|
263 |
1-2 |
p. 197-202
6 p.
|
artikel
|
| 44 |
Relativistic modification of asymptotic configuration interaction in the carbon isoelectronic sequence
|
Koc, Konrad
|
|
1996
|
263 |
1-2 |
p. 338-344
7 p.
|
artikel
|
| 45 |
Reply to comment on “A computational study of the structures of van der Waals and hydrogen-bonded complexes of ethene and ethyne”
|
Chuan Kang, H.
|
|
1996
|
263 |
1-2 |
p. 348-349
2 p.
|
artikel
|
| 46 |
Resonance enhanced multiphoton ionisation of the SiF radical: a reinvestigation
|
Ashfold, M.N.R.
|
|
1996
|
263 |
1-2 |
p. 138-144
7 p.
|
artikel
|
| 47 |
Role of higher excited states in radiative and nonradiative processes of coordination compounds of Ru(II) and Rh(III) in crystal
|
Islam, Ashraful
|
|
1996
|
263 |
1-2 |
p. 209-214
6 p.
|
artikel
|
| 48 |
Semiquantal modeling of thermal vibrational relaxation of diatomic molecules
|
Bieniek, Ronald J.
|
|
1996
|
263 |
1-2 |
p. 276-282
7 p.
|
artikel
|
| 49 |
Solvent effects on the conformational behavior of model peptides. A comparison between different continuum models
|
Adamo, Carlo
|
|
1996
|
263 |
1-2 |
p. 113-118
6 p.
|
artikel
|
| 50 |
Temperature-dependent resonance Raman study of iodine-doped poly(vinyl alcohol) films
|
Sengupta, Archita
|
|
1996
|
263 |
1-2 |
p. 25-32
8 p.
|
artikel
|
| 51 |
The interaction between two charged plates in electrolyte solutions
|
Jiang, Yu
|
|
1996
|
263 |
1-2 |
p. 317-323
7 p.
|
artikel
|
| 52 |
The radical photodissociation channel of acrylonitrile
|
North, Simon W.
|
|
1996
|
263 |
1-2 |
p. 148-153
6 p.
|
artikel
|
| 53 |
The study of water diffusion in the lamellar phase of water-ammonium perfluorononanoate mixtures
|
Veracini, C.A.
|
|
1996
|
263 |
1-2 |
p. 228-234
7 p.
|
artikel
|
| 54 |
Third-order optical nonlinearity in new π-conjugated polymers: polydiethynylsilane and polysilole
|
Matsuzaki, Yoichi
|
|
1996
|
263 |
1-2 |
p. 119-125
7 p.
|
artikel
|
| 55 |
Transfer of CH4 across the H2OCCl4 liquid-liquid interface with polarizable potential models
|
Chang, Tsun-Mei
|
|
1996
|
263 |
1-2 |
p. 39-45
7 p.
|
artikel
|
| 56 |
Trigonal images of transition metal atoms adsorbed on transition metal FCC(111) surfaces and their availability for scanning tunneling microscopy
|
Mingo, Natalio
|
|
1996
|
263 |
1-2 |
p. 8-12
5 p.
|
artikel
|
| 57 |
Zero-kinetic-energy photoelectron spectroscopy and excited-state intramolecular proton transfer in a ‘double’ benzoxazole
|
Mühlpfordt, A.
|
|
1996
|
263 |
1-2 |
p. 178-184
7 p.
|
artikel
|
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