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                             47 results found
no title author magazine year volume issue page(s) type
1 Ab initio CI study of the electronic spectrum of acetone Hess, Bernd
1976
231-240 3-4 p. 267-280
14 p.
article
2 Ab initio CI study of the reaction between NH2 and NO Abou-Rachid, Hakima
1984
231-240 3-4 p. 243-255
13 p.
article
3 A combination of pseudopotentials and density functionals: Results for Cu n , Cu n +, Ag n, and Agn+ clusters (n ≤ 4) Flad, J.
1984
231-240 3-4 p. 257-269
13 p.
article
4 An ab initio study of the satellite structure in the heteroatom core ionization of furan, pyrrole and thiophene de Alti, G.
1984
231-240 3-4 p. 231-242
12 p.
article
5 A two-chromophore model for two-photon circular dichroism, Chem. Phys. 16 (1976) 419–424 1976
231-240 3-4 p. 491-
1 p.
article
6 Author index to volume 18 1976
231-240 3-4 p. 492-495
4 p.
article
7 Author index to volume 90 1984
231-240 3-4 p. 417-420
4 p.
article
8 CAS SCF and contracted CI calculations on the HO3 radical Mathisen, Kirsten Broch
1984
231-240 3-4 p. 225-230
6 p.
article
9 Collinear reactive scattering of H on H2 in the magnus approximation Knapp, E.W.
1976
231-240 3-4 p. 375-383
9 p.
article
10 Electronic energy transfer in benzene—aniline gas mixtures Lardeux, C.
1976
231-240 3-4 p. 363-373
11 p.
article
11 Electronic structure and MnO Pinchemel, B.
1976
231-240 3-4 p. 481-489
9 p.
article
12 Emission of CrO2Cl2 in rare gas solids: Excitation spectra and photoselection studies Bondybey, V.E.
1976
231-240 3-4 p. 293-299
7 p.
article
13 Endor induced electron paramagnetic resonance: Application to the resolution of overlapping spectra Robinson, Bruce H.
1976
231-240 3-4 p. 321-332
12 p.
article
14 ESR spectra of trimeric heteronuclear clusters. II. Paramagnetic resonance of heteronuclear chromium and iron carboxylates Tsukerblat, B.S.
1984
231-240 3-4 p. 373-386
14 p.
article
15 ESR spectra of trimeric heteronuclear clusters. I. Theory Tsukerblat, B.S.
1984
231-240 3-4 p. 361-371
11 p.
article
16 Formation, microwave spectrum and molecular constants of bismuth monochloride Kuijpers, P.
1976
231-240 3-4 p. 401-416
16 p.
article
17 Influence of a magnetic field on delayed fluorescence of aromatic hydrocarbons in solution Lendi, K.
1976
231-240 3-4 p. 449-468
20 p.
article
18 Infrared spectra, force constants and thermodynamic functions of matrix isolated peroxyacetic acid Cugley, J.
1976
231-240 3-4 p. 281-292
12 p.
article
19 Ionization potentials of ethylene, allene and butatriene by a green function method Von Niessen, W.
1976
231-240 3-4 p. 469-476
8 p.
article
20 IR-induced photorotamerization of propanal and 3-chloropropanal in low-temperature matrices. Ab initio optimization of conformer geometries, and calculation of torsional barrier heights Gupta, V.P.
1984
231-240 3-4 p. 291-300
10 p.
article
21 List of subjects 1984
231-240 3-4 p. 421-422
2 p.
article
22 List of subjets 1976
231-240 3-4 p. 496-
1 p.
article
23 Monte Carlo simulation of RRKM unimolecular decomposition in molecular beam experiments. III. Application to angular distributions and branching fractions for the system K + CsF Rynefors, Kjell
1984
231-240 3-4 p. 347-360
14 p.
article
24 Nuclear spin—spin coupling constants and mutual influence of the ligands Nefedov, V.I.
1976
231-240 3-4 p. 417-430
14 p.
article
25 On the calculation of dipole moment and polarizability derivatives by the analytical energy gradient method: Application to the formaldehyde molecule Bacskay, George B.
1984
231-240 3-4 p. 215-224
10 p.
article
26 On the calculation of quantum partition functions and virial coefficients by path integration Jorish, V.S.
1976
231-240 3-4 p. 257-265
9 p.
article
27 Photoionisation cross section calculations for H2O and NH3 by one-center expansion and Sticltjies technique Cacelli, I.
1984
231-240 3-4 p. 313-324
12 p.
article
28 Photophysics of cis- and trans-1-(1-indanylidene)indane. Spectroscopic evidence for aggregation of the trans isomer Vogel, J.
1984
231-240 3-4 p. 387-398
12 p.
article
29 Radiative lifetimes on singlet oxygen molecule: A perturbation-variation calculation Carr, C.E.
1976
231-240 3-4 p. 251-256
6 p.
article
30 Reaction hamiltonian and the adiabatic approach to the dynamics of chemical reaction Kresin, Vladimir Z.
1984
231-240 3-4 p. 335-346
12 p.
article
31 Rotationally inelastic wide angle scattering: the anisotropy of the repulsive interaction between Ar and CO2 Loesch, H.J.
1976
231-240 3-4 p. 431-448
18 p.
article
32 Second-order polarization propagator calculations of indirect nuclear spin-spin coupling tensors in the water molecule Geertsen, Jan
1984
231-240 3-4 p. 301-311
11 p.
article
33 Second virial coefficients of F6S + Ar and F6S + Kr mixtures Santafe, J.
1976
231-240 3-4 p. 341-344
4 p.
article
34 Semiclassical theory of vibrationally inelastic collisions between two diatomic molecules, resonant case Makowski, Adam J.
1976
231-240 3-4 p. 477-480
4 p.
article
35 Simple trajectory calculations on ion pair formation in alkali atom—halogen molecule collisions Aten, J.A.
1976
231-240 3-4 p. 311-319
9 p.
article
36 Simulated T ← S spectra of benzaldehydes as a function of the energy gap between the 3ππ* and 3nπ* levels Koyanagi, Motohiko
1984
231-240 3-4 p. 399-405
7 p.
article
37 Span of an adsorbed polymer chain Lax, Melvin
1976
231-240 3-4 p. 353-361
9 p.
article
38 Spin density distribution and 13C relaxation in pyridine-N-oxide—nickel acetylacetonate complexes Ronfard-Haret, J.C.
1976
231-240 3-4 p. 345-352
8 p.
article
39 Subject index to volume 18 1976
231-240 3-4 p. 497-506
10 p.
article
40 Subject index to volume 90 1984
231-240 3-4 p. 423-432
10 p.
article
41 The ligand field at the Fe(II) ion in siderite Spiering, H.
1976
231-240 3-4 p. 243-250
8 p.
article
42 Theoretical study of the reaction C(3P) + N2O(X1Σ+). II. Dynamical trajectory studies on a three-atom model Bouachir, R.
1984
231-240 3-4 p. 325-334
10 p.
article
43 Theory of intramolecular radiationless transitions Metz, Fritz
1976
231-240 3-4 p. 385-399
15 p.
article
44 The reaction of (SO2)2 and (CO2)2 with Ba Nieman, J.
1984
231-240 3-4 p. 407-416
10 p.
article
45 Time and frequency resolution of CS2 fluorescence excited by a nitrogen laser Silvers, Stuart J.
1976
231-240 3-4 p. 333-339
7 p.
article
46 Valence-bond calculations with polarized atomic orbitals Chambaud, G.
1984
231-240 3-4 p. 271-289
19 p.
article
47 Vibrational barrier for resonance π-bond movement in conjugated linear crystals Chiu, Ying-Nan
1976
231-240 3-4 p. 301-309
9 p.
article
                             47 results found
 
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