| nr |
titel |
auteur |
tijdschrift |
jaar |
jaarg. |
afl. |
pagina('s) |
type |
| 1 |
Accurate nonrelativistic energies for some doubly excited Pe states of He
|
Hilger, Ralf
|
|
1996
|
262 |
3-4 |
p. 400-404
|
artikel
|
| 2 |
An ab initio embedded-cluster approach to electronic structure calculations on perfect solids: a Hartree-Fock study of lithium hydride
|
Shukla, Alok
|
|
1996
|
262 |
3-4 |
p. 213-218
|
artikel
|
| 3 |
A new concept for selective excitation in NMR
|
Abergel, Daniel
|
|
1996
|
262 |
3-4 |
p. 465-469
|
artikel
|
| 4 |
An O(N) tight-binding study of carbon clusters up to C8640: the geometrical shape of the giant icosahedral fullerenes
|
Hui Xu, Chun
|
|
1996
|
262 |
3-4 |
p. 219-226
|
artikel
|
| 5 |
Antenna exciton trapping kinetics as a probe of primary electron transfer heterogeneity in the photosynthetic reaction center
|
Pearlstein, Robert M.
|
|
1996
|
262 |
3-4 |
p. 442-448
|
artikel
|
| 6 |
A quenching method in quantum-classical studies of dynamics with a bifurcating wavefunction
|
Wang, Lichang
|
|
1996
|
262 |
3-4 |
p. 284-291
|
artikel
|
| 7 |
A theoretical study of the curves for Ta + CO interaction
|
Majumdar, D.
|
|
1996
|
262 |
3-4 |
p. 263-268
|
artikel
|
| 8 |
CCSD(T) calculation of NMR chemical shifts: consistency of calculated and measured 13C chemical shifts in the 1-cyclopropylcyclopropylidenemethyl cation
|
Stanton, John F.
|
|
1996
|
262 |
3-4 |
p. 183-186
|
artikel
|
| 9 |
Degenerate four-wave mixing spectroscopy as a probe of photodissociation dynamics: nascent SH population distributions from the 266 nm photolysis of hydrogen sulfide
|
Wasserman, Thierry A.W.
|
|
1996
|
262 |
3-4 |
p. 329-336
|
artikel
|
| 10 |
Deuterated methylene iodide at high pressures: a Raman study
|
Lee, S.A.
|
|
1996
|
262 |
3-4 |
p. 337-342
|
artikel
|
| 11 |
Direct imaging of excited electronic states using diffraction techniques: theoretical considerations
|
Ben-Nun, M.
|
|
1996
|
262 |
3-4 |
p. 405-414
|
artikel
|
| 12 |
Distributed approximating functional approach to fitting multi-dimensional surfaces
|
Hoffman, David K.
|
|
1996
|
262 |
3-4 |
p. 393-399
|
artikel
|
| 13 |
Double ionization of fluorobenzene to singlet and triplet states of its dication
|
Silcocks, S.E.
|
|
1996
|
262 |
3-4 |
p. 355-361
|
artikel
|
| 14 |
Double proton transfers in complexes of formic acid with CH4, NH3, H2O, HF and H2
|
Minyaev, Ruslan M.
|
|
1996
|
262 |
3-4 |
p. 194-200
|
artikel
|
| 15 |
Efficient chemical vapour deposition of hydrocarbon polymeric films by UV laser induced photolysis of 3-butyn-2-one
|
Pola, Josef
|
|
1996
|
262 |
3-4 |
p. 279-283
|
artikel
|
| 16 |
Electronic properties of the eletride-type molecule Li(9-crown-3)2. Comparison of Hartree-Fock and local density approximations: implications for crystalline crown ether electrides
|
Rencsok, R.
|
|
1996
|
262 |
3-4 |
p. 207-212
|
artikel
|
| 17 |
Electronic, vibrational and environmental effects on the hyperfine coupling constants of nitroside radicals. H2NO as a case study
|
Barone, Vincenzo
|
|
1996
|
262 |
3-4 |
p. 201-206
|
artikel
|
| 18 |
Electron impact excitation of C60 adducts; fluorescence from C60OH and C60H species
|
Trajmar, S.
|
|
1996
|
262 |
3-4 |
p. 241-246
|
artikel
|
| 19 |
Energy transfer between UO2 2+ and Eu3+ in sol-gel glasses: a spectroscopic investigation
|
Dai, Sheng
|
|
1996
|
262 |
3-4 |
p. 315-320
|
artikel
|
| 20 |
Enhanced photoluminescence of C60 incorporated into interlayers of hydrotalcite
|
Ding, Weiping
|
|
1996
|
262 |
3-4 |
p. 259-262
|
artikel
|
| 21 |
Fractional occupation numbers and density functional energy gradients within the linear combination of Gaussian-type orbitals approach
|
Warren, R.W.
|
|
1996
|
262 |
3-4 |
p. 384-392
|
artikel
|
| 22 |
Fragmentation dynamics of silicon cluster anions in collision with a silicon surface: contrast to aluminum cluster anions
|
Terasaki, Akira
|
|
1996
|
262 |
3-4 |
p. 269-273
|
artikel
|
| 23 |
[60]Fullerene anions in aqueous solutions (EPR study)
|
Staško, Andrej
|
|
1996
|
262 |
3-4 |
p. 233-240
|
artikel
|
| 24 |
Full-potential linear muffin-tin orbital calculation of atomic forces and optimization of atomic structure of fullerence epoxide derivatives C60O and C60O2
|
Batirev, I.G.
|
|
1996
|
262 |
3-4 |
p. 247-251
|
artikel
|
| 25 |
Helium dimer potential from symmetry-adapted perturbation theory
|
Williams, Hayes L.
|
|
1996
|
262 |
3-4 |
p. 431-436
|
artikel
|
| 26 |
High-power femtosecond chirped pulse excitation of molecules in solution
|
Cerullo, G.
|
|
1996
|
262 |
3-4 |
p. 362-368
|
artikel
|
| 27 |
Hyper-parallel algorithms for centroid molecular dynamics: application to liquid para-hydrogen
|
Calhoun, August
|
|
1996
|
262 |
3-4 |
p. 415-420
|
artikel
|
| 28 |
Infrared observations of the B3 and Al3 molecules in inert-gas matrices at 4 K
|
Li, S.
|
|
1996
|
262 |
3-4 |
p. 298-302
|
artikel
|
| 29 |
1La origin locations of methyl indoles in argon matrices
|
Fender, Bruce
|
|
1996
|
262 |
3-4 |
p. 343-348
|
artikel
|
| 30 |
New emission spectra of KrXe+ produced from Kr afterglow reactions of Xe
|
Tsuji, Masaharu
|
|
1996
|
262 |
3-4 |
p. 349-354
|
artikel
|
| 31 |
Observation of charge-resonance band of naphthalene dimer cation confined in cavities of faujasite zeolites. Near-IR diffuse reflectance laser photolysis study
|
Hashimoto, Shuichi
|
|
1996
|
262 |
3-4 |
p. 292-297
|
artikel
|
| 32 |
Onion-like graphitic particles produced from diamond
|
Qin, Lu-Chang
|
|
1996
|
262 |
3-4 |
p. 252-258
|
artikel
|
| 33 |
Photoresponse of porphyrin thin-film electrode in the near-infrared
|
Harima, Yutaka
|
|
1996
|
262 |
3-4 |
p. 274-278
|
artikel
|
| 34 |
Positron-helium scattering at medium energies
|
Adhikari, Sadhan K.
|
|
1996
|
262 |
3-4 |
p. 460-464
|
artikel
|
| 35 |
Proton MAS NMR of a protein in a frozen aqueous solution
|
Volke, F.
|
|
1996
|
262 |
3-4 |
p. 374-378
|
artikel
|
| 36 |
Quantum mechanical calculation of line shape parameters for the depolarized Raman Q branch of D2 in He
|
Brezina, R.
|
|
1996
|
262 |
3-4 |
p. 437-441
|
artikel
|
| 37 |
Rotational spectrum and properties of a gas-phase complex of molecular fluorine and hydrogen cyanide
|
Cooke, S.A.
|
|
1996
|
262 |
3-4 |
p. 308-314
|
artikel
|
| 38 |
Semiclassical calculation of Franck-Condon intensities for reactive systems
|
Spath, Bruce W.
|
|
1996
|
262 |
3-4 |
p. 486-494
|
artikel
|
| 39 |
Structures and electronic states of endohedral dimetallofullerenes: M2@C80 (M = Sc, Y, La, Ce, Pr, Eu, Gd, Yb and Lu)
|
Kobayashi, Kaoru
|
|
1996
|
262 |
3-4 |
p. 227-232
|
artikel
|
| 40 |
Subpicosecond population decay time of the first excited singlet state of thioxanthione in fluid solution
|
Tittelbach-Helmrich, Dietrich
|
|
1996
|
262 |
3-4 |
p. 369-373
|
artikel
|
| 41 |
The adiabatic binding energy of NbAr+
|
Buthelezi, T.
|
|
1996
|
262 |
3-4 |
p. 303-307
|
artikel
|
| 42 |
The 13C chemical shielding, 14N quadropole and the dipolar tensors of the nitrile group in the hydrogen-bonded acetonitrile-H-ZSM-5 adsorption complex
|
Šepa, Jelena
|
|
1996
|
262 |
3-4 |
p. 321-328
|
artikel
|
| 43 |
The F + HD reaction: cross sections and rate constants on an ab initio potential energy surface
|
Aoiz, F.J.
|
|
1996
|
262 |
3-4 |
p. 175-182
|
artikel
|
| 44 |
The solvent effect on the electronegativity and hardness of bonded atoms
|
Lipiński, Józef
|
|
1996
|
262 |
3-4 |
p. 449-454
|
artikel
|
| 45 |
The structure of the methanol radical cation: an artificially short C-O bond with MP2 theory
|
Gauld, James W.
|
|
1996
|
262 |
3-4 |
p. 187-193
|
artikel
|
| 46 |
The SU(3) algebraic vibrational dynamics of inter-mode couplings: a case study of H2O, CH2Br2 and CD2Br2
|
Wu, Guozhen
|
|
1996
|
262 |
3-4 |
p. 421-430
|
artikel
|
| 47 |
Time-dependent semiclassical calculation of resonance lifetimes
|
Grossmann, Frank
|
|
1996
|
262 |
3-4 |
p. 470-476
|
artikel
|
| 48 |
Two Shpol'skii sites of all-trans-1,8-diphenyloctatetraene in n-tetradecane
|
Plakhotnik, Taras
|
|
1996
|
262 |
3-4 |
p. 379-383
|
artikel
|
| 49 |
Visible spectra of fractal particles in colloidal solutions
|
Vertegel, A.A.
|
|
1996
|
262 |
3-4 |
p. 455-459
|
artikel
|
| 50 |
Wave packet correlation function approach to H2(ν)+H→H+H2(ν′): semiclassical implementation
|
Garashchuk, Sophya
|
|
1996
|
262 |
3-4 |
p. 477-485
|
artikel
|
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