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                             32 gevonden resultaten
nr titel auteur tijdschrift jaar jaarg. afl. pagina('s) type
1 Ab initio calculations of the structure and properties of disiloxane. The effect of electron correlation and basis set extension Bär, Micheal R.
 1994
 226 3-4 p. 405-412
8 p.
 artikel
2 An alternative expression for the perturbative triples correction to Brueckner coupled-cluster doubles theory Scuseria, Gustavo E.
 1994
 226 3-4 p. 251-256
6 p.
 artikel
3 A theoretical investigation of potential energy surfaces governing the photochemical tautomerization of 2-pyridone Barone, Vincenzo
 1994
 226 3-4 p. 399-404
6 p.
 artikel
4 A theoretical study of triatomic carbon-silicon mixed clusters. Relative energies and binding energies Deutsch, P.W.
 1994
 226 3-4 p. 387-391
5 p.
 artikel
5 Conformational analysis of poly(ethylene oxide) oligomers: diglyme Gejji, Shridhar P.
 1994
 226 3-4 p. 427-432
6 p.
 artikel
6 Conformation of intercalated aromatic molecular anions between layers of Mg/Al- and Zn/Al-hydrotalcites Kanezaki, Eiji
 1994
 226 3-4 p. 325-330
6 p.
 artikel
7 Contribution of solvent effect to the optical spectra of polyanilines: has it been underestimated? Ghosh, Soumyadeb
 1994
 226 3-4 p. 344-348
5 p.
 artikel
8 Diabatic CASSCF orbitals and wavefunctions Domcke, W.
 1994
 226 3-4 p. 257-262
6 p.
 artikel
9 Dynamics of excited-state intramolecular proton transfer reactions in piroxicam. Role of triplet states Cho, Dae Won
 1994
 226 3-4 p. 275-280
6 p.
 artikel
10 Electric and magnetic molecular properties from analysis of vibration-rotational spectral data of samples measured without applied fields - application to GaH X 1Σ+ Ogilvie, J.F.
 1994
 226 3-4 p. 281-288
8 p.
 artikel
11 Electric dipole hyperpolarizability and quadrupole polarizability of methane from finite-field coupled cluster and fourth-order many-body perturbation theory calculations Maroulis, George
 1994
 226 3-4 p. 420-426
7 p.
 artikel
12 Electronic structures of poly-cations and -anions of C60. Possible mechanisms of organic ferromagnetism Yamaguchi, K.
 1994
 226 3-4 p. 372-380
9 p.
 artikel
13 First principles molecular dynamics calculation of the structure and acidity of a bulk zeolite Campana, L.
 1994
 226 3-4 p. 245-250
6 p.
 artikel
14 Improving conditions towards isolating single-shell carbon nanotubes Lambert, J.M.
 1994
 226 3-4 p. 364-371
8 p.
 artikel
15 Inclusion of Hartree-Fock exchange in the density functional approach. Benchmark computations for diatomic molecules containing H, B, C, N, O, and F atoms Barone, Vincenzo
 1994
 226 3-4 p. 392-398
7 p.
 artikel
16 Infrared-infrared double resonance spectroscopy of Ar-HF. Intermolecular state dependence of the dipole moment and vibrational predissociation in v HF = 2 Block, P.A.
 1994
 226 3-4 p. 317-324
8 p.
 artikel
17 Many-particle effects in the calculation of ionization potentials and electron affinity of the C60 molecule Böhn, Michael C.
 1994
 226 3-4 p. 381-386
6 p.
 artikel
18 Molecular structures and properties of HGeX+ and HXGe+ (X=O, S, Se) species Lesczyński, Jerzy
 1994
 226 3-4 p. 413-419
7 p.
 artikel
19 Observation of conformational relaxation hindrance in the singlet excited state for porphyrin incorporated in a lipid membrane Anikin, M.V.
 1994
 226 3-4 p. 337-343
7 p.
 artikel
20 Parameterization of diffusion-influenced intermolecular electron transfer in the static quenching limit Stevens, B.
 1994
 226 3-4 p. 268-274
7 p.
 artikel
21 Photoinduced substrate-mediated dissociation of O2 on Pd(111). Evaluation of the survival probability Hellsing, B.
 1994
 226 3-4 p. 331-336
6 p.
 artikel
22 Photoluminescence in the cerium-ion catalyzed Belousov-Zhabotinsky reaction Ruoff, Peter
 1994
 226 3-4 p. 295-299
5 p.
 artikel
23 Predissociative lifetimes of the 2 3Πg state of the H2 molecule Damas, J.
 1994
 226 3-4 p. 235-240
6 p.
 artikel
24 Quantum-mechanical calculations of the collinear rearrangement reaction He + H+ 2 → HeH+ + H at energies up to the dissociation threshold Sakimoto, Kazuhiro
 1994
 226 3-4 p. 227-234
8 p.
 artikel
25 Rotationally resolved UV spectroscopy of the 2H-tautomer of benzotriazole in a molecular beam Berden, Giel
 1994
 226 3-4 p. 305-309
5 p.
 artikel
26 Shell boundaries and core-valence regions within atomic isoelectronic series using electrostatic potential-density ratio Kakkar, M.
 1994
 226 3-4 p. 241-244
4 p.
 artikel
27 Structured emission induced by ArF laser excitation of ketene in a molecular beam Ruiz, Javier
 1994
 226 3-4 p. 300-304
5 p.
 artikel
28 The high-spin low-spin equilibrium of iron(II) in FeII(TRIM)2(PhCO2) (ClO4): Observation and interpretation of a gradual 5T2↔1A1 spin-state conversion Lemercier, G.
 1994
 226 3-4 p. 289-294
6 p.
 artikel
29 Time-resolved EPR of the radical pair P865 +.QA −. in bacterial reaction centers. Observations of transient nutations, quantum beats and envelope modulation effects Bittl, Robert
 1994
 226 3-4 p. 349-358
10 p.
 artikel
30 Transition from multiply twinned icosahedral to cuboctahedral symmetry in particles of arbitrary size Aragón, J.L.
 1994
 226 3-4 p. 263-267
5 p.
 artikel
31 Ultrafast dynamics of the solvent-solute interaction measured by femtosecond four-wave mixing: LD690 in n-alcohols Bardeen, C.J.
 1994
 226 3-4 p. 310-316
7 p.
 artikel
32 X-ray scattering study of carbon dioxide at supercritical states Nishikawa, Keiko
 1994
 226 3-4 p. 359-363
5 p.
 artikel
                             32 gevonden resultaten
 
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