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                             68 gevonden resultaten
nr titel auteur tijdschrift jaar jaarg. afl. pagina('s) type
1 Ab initio rep-based relativistic core/valence polarization operator Marino, M.M.
 1993
 206 1-4 p. 271-277
7 p.
 artikel
2 Absolute rate constants for the reaction of CF3O2 and CF3O radicals with NO at 295 K Sehested, Jens
 1993
 206 1-4 p. 369-375
7 p.
 artikel
3 A dynamical test of the centroid formulation of quantum transition state theory for electron transfer reactions Mak, C.H.
 1993
 206 1-4 p. 130-136
7 p.
 artikel
4 A general time-to-energy transform of wavepackets. Time-independent wavepacket-Schrödinger and wavepacket-Lippmann—Schwinger equations Huang, Youhong
 1993
 206 1-4 p. 96-102
7 p.
 artikel
5 All ab initio Auger spectra of HF and LiF: energies, intensities and vibrational shifts and broadenings Zähringer, K.
 1993
 206 1-4 p. 247-252
6 p.
 artikel
6 Analysis of the intermolecular interactions in the FCN dimer Panas, Itai
 1993
 206 1-4 p. 312-317
6 p.
 artikel
7 A new scattering deflection method for determining and selecting the sizes of large liquid clusters of 4He Lewerenz, M.
 1993
 206 1-4 p. 381-387
7 p.
 artikel
8 An improved criterion for evaluating the efficiency of two-electron integral algorithms Frisch, Michael J.
 1993
 206 1-4 p. 225-228
4 p.
 artikel
9 An investigation of the structure of weakly bound (OCS)2 Bone, Richard G.A
 1993
 206 1-4 p. 260-270
11 p.
 artikel
10 A proposal of new organic third-order nonlinear optical compounds. Centrosymmetric systems with large negative third-order hyperpolarizabilities Nakano, Masayoshi
 1993
 206 1-4 p. 285-292
8 p.
 artikel
11 Asymmetric 13C NMR multiplet relaxation and dipolar—CSA cross correlation for glycine 13Cα methylenes in peptides Daragan, Vladimir A.
 1993
 206 1-4 p. 393-400
8 p.
 artikel
12 Calculations of the polycentric linear molecule H3 2+ with the finite element method Hackel, S.
 1993
 206 1-4 p. 91-95
5 p.
 artikel
13 Computing molecular electrostatic potentials with the PRISM algorithm Johnson, Benny G.
 1993
 206 1-4 p. 239-246
8 p.
 artikel
14 Conformational analysis via LIF spectroscopy of jet-cooled molecules: hydroxy- and amino-benzoic acid esters McCombie, J.
 1993
 206 1-4 p. 37-44
8 p.
 artikel
15 DV-Vα studies on the vibrational structure of alexandrite crystal Zhang, Bing
 1993
 206 1-4 p. 103-105
3 p.
 artikel
16 Electrochemical reduction of 2,6-diphenylpyrylium cations by spin-polarized electrons. The Hedvall effect Modestov, A.D.
 1993
 206 1-4 p. 401-404
4 p.
 artikel
17 Electronic g/u symmetry breaking in H2 + Moss, Richard E.
 1993
 206 1-4 p. 83-90
8 p.
 artikel
18 Electronic spectra of the C70 molecule and C70 +, C70 − ions in neon matrices Fulara, Jan
 1993
 206 1-4 p. 203-209
7 p.
 artikel
19 Electronic structure of barium fullerides Wertheim, G.K.
 1993
 206 1-4 p. 193-196
4 p.
 artikel
20 Electron-stimulated ion-molecule reactions in O2 films on graphite Goldby, L.M.
 1993
 206 1-4 p. 181-186
6 p.
 artikel
21 Enthalpy of hydration and partial molar specific volume as criteria for evaluation of intermolecular potentials. NPT-ensemble Monte Carlo calculations for dilute neon in water Zeng, J.
 1993
 206 1-4 p. 318-322
5 p.
 artikel
22 Femtosecond vibrational dephasing of the CN stretching in alkanenitriles with long alkyl chains. Dependence on the chain length and hydrogen bonding Okamoto, Hiromi
 1993
 206 1-4 p. 388-392
5 p.
 artikel
23 Infrared predissociation in cluster ions containing a guest chromophore. A gentle route to the dynamics and spectroscopy of heterogeneous systems Woodward, C.A.
 1993
 206 1-4 p. 49-56
8 p.
 artikel
24 Intramolecular energy transfer rates using Fourier transform methods Chang, Xiaoyan
 1993
 206 1-4 p. 137-142
6 p.
 artikel
25 Kinetics of the SiH3 + O2 and SiH3 + NO2 reactions Quandt, Robert W.
 1993
 206 1-4 p. 355-360
6 p.
 artikel
26 LIF detection of the CF3O radical and kinetics of its reactions with CH4 and C2H6 Saathoff, H.
 1993
 206 1-4 p. 349-354
6 p.
 artikel
27 Ligand polarisability derivatives and anisotropies in the theory of f—f vibronic intensities Stewart, Brian
 1993
 206 1-4 p. 106-112
7 p.
 artikel
28 Low-temperature carbon monoxide oxidation on Pt(111). Dependence of apparent activation energy on reactant gas composition Hardacre, Christopher
 1993
 206 1-4 p. 171-174
4 p.
 artikel
29 Medium effects on molecular and ionic electronic spectra. Application to the lowest 1(n, π*) state of dilute pyridine in water Zeng, J.
 1993
 206 1-4 p. 323-328
6 p.
 artikel
30 Nearside—farside analysis of angular scattering in elastic, inelastic and reactive molecular collisions Connor, J.N.L.
 1993
 206 1-4 p. 119-122
4 p.
 artikel
31 Nonradiative process induced by external magnetic fields in the C2H2 Ã 1Au state near predissociation limit Abe, Haruo
 1993
 206 1-4 p. 337-342
6 p.
 artikel
32 Nuclear hyperfine structure in the electronic millimetre wave spectrum of H2 + Carrington, Alan
 1993
 206 1-4 p. 77-82
6 p.
 artikel
33 Optical properties of a near-infrared dye laser incorporated inside sol—gel matrices Lebeau, Bénédicte
 1993
 206 1-4 p. 15-20
6 p.
 artikel
34 Optical studies of Ce3+ -doped gadolinium aluminium perovskite single crystals Mares, Jiri A.
 1993
 206 1-4 p. 9-14
6 p.
 artikel
35 Photophysics of Ru(II)— and Os(II)—polypyridine complexes in poly(ethyleneoxide) matrices Campagna, Sebastiano
 1993
 206 1-4 p. 30-36
7 p.
 artikel
36 Polarization labelling spectroscopy of 3 1Πu ← X 1Σg + and 3 1Σu + ← X 1Σg + transitions in K2 Jastrzȩbski, W.
 1993
 206 1-4 p. 69-72
4 p.
 artikel
37 Quadratic nonlinear susceptibility of octupolar chiral ions Zyss, Joseph
 1993
 206 1-4 p. 409-414
6 p.
 artikel
38 Quadricyclane and norbornadiene radical cations in silicalite: comparison with freon matrices Barnabas, Mary V.
 1993
 206 1-4 p. 21-24
4 p.
 artikel
39 Reaction yields in intramolecular dissipative kinetics Agmon, Noam
 1993
 206 1-4 p. 143-150
8 p.
 artikel
40 Searching for spontaneous magnetic order in an organic ferromagnet. μSR studies of β-phase p-NPNN Le, L.P.
 1993
 206 1-4 p. 405-408
4 p.
 artikel
41 Self-consistent Brueckner theory for molecular orbitals Kozlov, V.A.
 1993
 206 1-4 p. 151-155
5 p.
 artikel
42 Single-electron charge transfer between He2+ and NO. Population of vibrational states of NO(1Σ+) product from high-resolution scattering experiments Fárník, M.
 1993
 206 1-4 p. 376-380
5 p.
 artikel
43 Spectral diffusion in organic glasses. Temperature dependence of permanent and transient holes Wannemacher, R.
 1993
 206 1-4 p. 1-8
8 p.
 artikel
44 Spectral sensitization of a TiO2 semiconductor electrode by CdS microcrystals and its photoelectrochemical properties Kohtani, S.
 1993
 206 1-4 p. 166-170
5 p.
 artikel
45 Spectroscopic evidence for a nonrigid—rigid transition in isotopically labelled (benzene)13 Easter, David C.
 1993
 206 1-4 p. 329-336
8 p.
 artikel
46 State-specific reaction probabilities from a DVR-ABC Green function Thompson, Ward H.
 1993
 206 1-4 p. 123-129
7 p.
 artikel
47 Step relaxation and surface stress at H-terminated vicinal Si(111) Raghavachari, Krishnan
 1993
 206 1-4 p. 156-160
5 p.
 artikel
48 Structures, stabilities and ionization potentials of Na(H2O) n and Na(NH3) n (n= 1–6) clusters. An ab initio MO study Hashimoto, Kenro
 1993
 206 1-4 p. 297-304
8 p.
 artikel
49 Supercritical fluid impregnation of polyethylene films, a new approach to studying equilibria in matrices; the hydrogen bonding of fluoroalcohols to (η5-C5Me5)Ir(CO)2 and the effect on CH activation Cooper, Andrew I.
 1993
 206 1-4 p. 175-180
6 p.
 artikel
50 Temperature-dependent kinetics of the quenching of O(1S) by chlorofluoromethanes Capetanakis, F.P.
 1993
 206 1-4 p. 361-364
4 p.
 artikel
51 The 2 1Ag− state and two additional low-lying electronic states of spheroidene newly identified by fluorescence and fluorescence-excitation spectroscopy at 170 K Watanabe, Yasutaka
 1993
 206 1-4 p. 62-68
7 p.
 artikel
52 The determination of acceptor distribution from the donor decay time response in co-doped crystals Eyal, A.
 1993
 206 1-4 p. 113-118
6 p.
 artikel
53 The efficient transformation of ( m0| n0) to ( ab | cd ) two-electron repulsion integrals Johnson, Benny G.
 1993
 206 1-4 p. 229-238
10 p.
 artikel
54 The Fourier transform spectrum of the coloured vibrations in mono- and dideuteroacetylene Pisarchik, A.
 1993
 206 1-4 p. 343-348
6 p.
 artikel
55 The hydrogen atom channel in the photodissociation of HNCO Yi, Whikun
 1993
 206 1-4 p. 365-368
4 p.
 artikel
56 The influence of calculated phase shifts on the precision and accuracy of ARPEFS-derived structural parameters Zheng, Y.
 1993
 206 1-4 p. 161-165
5 p.
 artikel
57 Theoretical molecular dipole moment derivatives in solid HCN Panas, Itai
 1993
 206 1-4 p. 305-311
7 p.
 artikel
58 Theoretical study of hydrogenated buckminsterfullerene derivatives with benzenoid rings, C60H60–66n (n= 1–8) Rathna, A.
 1993
 206 1-4 p. 217-224
8 p.
 artikel
59 Theoretical study of thermal dissociation and recombination reactions of XONO2 (X = F, Cl, Br, or I) Rayez, M.T.
 1993
 206 1-4 p. 278-284
7 p.
 artikel
60 Theoretical study of water clusters. I. Pentamer Burke, Luke A.
 1993
 206 1-4 p. 293-296
4 p.
 artikel
61 Thermochromic shifts of pyrene excimer fluorescence Castanheira, E.M.S.
 1993
 206 1-4 p. 45-48
4 p.
 artikel
62 The role of the angle of pretwist of some molecules forming twisted intramolecular charge transfer (TICT) states in polymer matrices Al-Hassan, Khader A.
 1993
 206 1-4 p. 25-29
5 p.
 artikel
63 The vibration spectra of the diiodides of the first-row transition metals: the infrared spectra of gaseous CaI2, MnI2 and ZnI2 Konings, R.J.M.
 1993
 206 1-4 p. 57-61
5 p.
 artikel
64 Time-resolved high-resolution FTIR absorption spectroscopy in a pulsed discharge Nakanaga, Taisuke
 1993
 206 1-4 p. 73-76
4 p.
 artikel
65 Topological characterization of five C78 fullerene isomers Balasubramanian, K.
 1993
 206 1-4 p. 210-216
7 p.
 artikel
66 Triplet state absorption studies of C70 in benzene solution Bensasson, R.V.
 1993
 206 1-4 p. 197-202
6 p.
 artikel
67 Vibrational mode frequencies in C70 Jishi, R.A.
 1993
 206 1-4 p. 187-192
6 p.
 artikel
68 Vicinal proton—proton coupling constants. Basis set dependence in SCF ab initio calculations San-Fabián, Jesús
 1993
 206 1-4 p. 253-259
7 p.
 artikel
                             68 gevonden resultaten
 
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