Works matching IS 00207608 AND DT 1980 AND VI 18 AND IP 2

Results: 42

Solvent effects on CD and MCD spectra of phenylalanine and its related compounds.

Published in:

International Journal of Quantum Chemistry, 1980, v. 18, n. 2, p. 527, doi. 10.1002/qua.560180224

By:

Komiyama, Tomoko;
Miwa, Makoto

Publication type:

Article

Microscopic theory of the average band gap of semiconductors.

Published in:

International Journal of Quantum Chemistry, 1980, v. 18, n. 2, p. 615, doi. 10.1002/qua.560180235

By:

Van Doren, V. E.;
Van Camp, P. E.;
Devreese, J. T.

Publication type:

Article

Chemical graph theory: Modeling the thermodynamic properties of molecules.

Published in:

International Journal of Quantum Chemistry, 1980, v. 18, n. 2, p. 369, doi. 10.1002/qua.560180206

By:

Mekenyan, O.;
Bonchev, D.;
Trinajstić, N.

Publication type:

Article

Quasirelativistic MO calculations on platinum complexes (anticancer drugs) and their interaction with DNA.

Published in:

International Journal of Quantum Chemistry, 1980, v. 18, n. 2, p. 469, doi. 10.1002/qua.560180217

By:

Boudreaux, E. A.;
Carsey, T. P.

Publication type:

Article

V-Coupling coefficients from SO(3) to the octahedral group.

Published in:

International Journal of Quantum Chemistry, 1980, v. 18, n. 2, p. 557, doi. 10.1002/qua.560180228

By:

Au-Chin, Tang;
Ching-Yu, Cho;
Chia-Chung, Sun

Publication type:

Article

Rotational tunneling of methane on the surface of graphite.

Published in:

International Journal of Quantum Chemistry, 1980, v. 18, n. 2, p. 641, doi. 10.1002/qua.560180239

By:

Nosé, Shuichi;
Ozaki, Yoshiaki;
Maki, Kazuo;
Kataoka, Yosuke

Publication type:

Article

Binding energies of ionized donor-exciton complexes in polar crystals.

Published in:

International Journal of Quantum Chemistry, 1980, v. 18, n. 2, p. 583, doi. 10.1002/qua.560180230

By:

Petelenz, Piotr;
Smith, Vedene H.

Publication type:

Article

Masthead.

Published in:: International Journal of Quantum Chemistry, 1980, v. 18, n. 2, p. fmi, doi. 10.1002/qua.560180201
Publication type:: Article

Ab initio molecular orbital studies of polyethylene deformation.

Published in:

International Journal of Quantum Chemistry, 1980, v. 18, n. 2, p. 651, doi. 10.1002/qua.560180241

By:

Brower, A. L.;
Sabin, J. R.;
Crist, B.;
Ratner, M. A.

Publication type:

Article

Purine-water interactions in base stacking.

Published in:

International Journal of Quantum Chemistry, 1980, v. 18, n. 2, p. 421, doi. 10.1002/qua.560180212

By:

Langlet, J.;
Giessner-Prettre, C.;
Pullman, B.;
Claverie, P.;
Piazzola, D.

Publication type:

Article

Regression analysis of enzyme reaction. O-methylation of catechol derivatives by catechol-O-methyltransferase.

Published in:

International Journal of Quantum Chemistry, 1980, v. 18, n. 2, p. 521, doi. 10.1002/qua.560180223

By:

Shinagawa, Yasuko;
Shinagawa, Yoshiya

Publication type:

Article

On the localization of defects.

Published in:

International Journal of Quantum Chemistry, 1980, v. 18, n. 2, p. 607, doi. 10.1002/qua.560180234

By:

Calais, Jean-Louis

Publication type:

Article

Assignment of the hyperfine constants of the 1,2-benzosemiquinone radical anion: Comment on ' INDO studies on the structure of benzosemiquinone radicals'.

Published in:

International Journal of Quantum Chemistry, 1980, v. 18, n. 2, p. 365, doi. 10.1002/qua.560180205

By:

Spanget-Larsen, Jens

Publication type:

Article

MO Study on the photochemical isomerization of isoxazole.

Published in:

International Journal of Quantum Chemistry, 1980, v. 18, n. 2, p. 463, doi. 10.1002/qua.560180216

By:

Tanaka, H.;
Matsushita, T.;
Osamura, Y.;
Nishimoto, K.

Publication type:

Article

Application of lie algebra to ligand-field theory.

Published in:

International Journal of Quantum Chemistry, 1980, v. 18, n. 2, p. 545, doi. 10.1002/qua.560180227

By:

Au-Chin, Tang;
Chia-Chung, Sun;
Bei-Foo, Li

Publication type:

Article

Lattice relaxation and electric-field-gradient calculations in impurity-doped single ionic crystals.

Published in:

International Journal of Quantum Chemistry, 1980, v. 18, n. 2, p. 633, doi. 10.1002/qua.560180238

By:

Satoh, Mitsuo;
Taki, Toshihiko

Publication type:

Article

Nuclear distortion of the equidistant arrangement in trans-polyacetylene, (CH) x.

Published in:

International Journal of Quantum Chemistry, 1980, v. 18, n. 2, p. 645, doi. 10.1002/qua.560180240

By:

Kertész, M.;
Koller, J.;
Ažman, A.

Publication type:

Article

Semiempirical molecular orbital calculations on π electron systems.

Published in:

International Journal of Quantum Chemistry, 1980, v. 18, n. 2, p. 397, doi. 10.1002/qua.560180209

By:

Thuraisingham, R. A.;
Nilar, S. H. M.

Publication type:

Article

Metal bridge effect.

Published in:

International Journal of Quantum Chemistry, 1980, v. 18, n. 2, p. 409, doi. 10.1002/qua.560180211

By:

Fischer-Hjalmars, I.;
Henriksson-Enflo, A.

Publication type:

Article

β−-Decay effect on the proton movement in the pyridine-pyrrole hydrogen-bonded system.

Published in:

International Journal of Quantum Chemistry, 1980, v. 18, n. 2, p. 515, doi. 10.1002/qua.560180222

By:

Ikuta, Shigeru;
Hashimoto, Shuichi;
Imamura, Masashi

Publication type:

Article

LCAO- MO treatment for deep levels produced by ion implantation of oxygen in gallium arsenide.

Published in:

International Journal of Quantum Chemistry, 1980, v. 18, n. 2, p. 601, doi. 10.1002/qua.560180233

By:

Ruo-Zhuang, Liu;
Wen-Lin, Feng

Publication type:

Article

INDO Studies on the structure of benzosemiquinone radicals.

Published in:

International Journal of Quantum Chemistry, 1980, v. 18, n. 2, p. 357, doi. 10.1002/qua.560180204

By:

Shinagawa, Yoshiya;
Shinagawa, Yasuko;
Uyesaka, Nobuhiro;
Fukuda, Kohji

Publication type:

Article

MO Study of the photochemical behavior of the imine bond.

Published in:

International Journal of Quantum Chemistry, 1980, v. 18, n. 2, p. 457, doi. 10.1002/qua.560180215

By:

Osamura, Yoshihiro;
Yamabe, Shinichi;
Nishimoto, Kichisuke

Publication type:

Article

Physicochemical properties of SF 6847, a potent uncoupler of oxidative phosphorylation in mitochondria in relation to its activity.

Published in:

International Journal of Quantum Chemistry, 1980, v. 18, n. 2, p. 539, doi. 10.1002/qua.560180226

By:

Yoshikawa, Kenichi;
Kumazawa, Noriyuki;
Terada, Hiroshi;
Akagi, Kazuo

Publication type:

Article

N2 Laser-excited luminescence of antiferromagnetically coupled trinuclear chromium(III) complexes.

Published in:

International Journal of Quantum Chemistry, 1980, v. 18, n. 2, p. 625, doi. 10.1002/qua.560180237

By:

Morita, Makoto;
Kato, Yoshiaki

Publication type:

Article

QCLDB-Quantum chemistry literature data base-a trial.

Published in:

International Journal of Quantum Chemistry, 1980, v. 18, n. 2, p. 393, doi. 10.1002/qua.560180208

By:

Osamura, Y.;
Yamabe, S.;
Hirota, F.;
Hosoya, H.;
Iwata, S.;
Kashiwagi, H.;
Morokuma, K.;
Togasi, M.;
Obara, S.;
Tanaka, K.;
Ohno, K.

Publication type:

Article

Mechanism of binding of iron to potential therapeutic chelating agents.

Published in:

International Journal of Quantum Chemistry, 1980, v. 18, n. 2, p. 493, doi. 10.1002/qua.560180219

By:

Spingarn, Neil E.;
Sartorelli, Alan C.

Publication type:

Article

Electronic structure of transition-metal complexes. I. Parametrization for CNDO/2 method.

Published in:

International Journal of Quantum Chemistry, 1980, v. 18, n. 2, p. 403, doi. 10.1002/qua.560180210

By:

Kai, Eiko;
Nishimoto, Kichisuke

Publication type:

Article

Weak interactions at the photoexcited states of partially oriented aromatic chromophores in man-made bilayer membranes.

Published in:

International Journal of Quantum Chemistry, 1980, v. 18, n. 2, p. 509, doi. 10.1002/qua.560180221

By:

Nagamura, Toshihiko;
Takayanagi, Takashi;
Matsuo, Taku

Publication type:

Article

Nonadditive effects in metal clusters and chemisorption. Pseudopotential study of palladium clusters.

Published in:

International Journal of Quantum Chemistry, 1980, v. 18, n. 2, p. 595, doi. 10.1002/qua.560180232

By:

García-Prieto, J.;
Novaro, O.

Publication type:

Article

Calculated optical spectrum of model oxyheme complex.

Published in:

International Journal of Quantum Chemistry, 1980, v. 18, n. 2, p. 481, doi. 10.1002/qua.560180218

By:

Loew, Gilda H.;
Herman, Zelek S.;
Zerner, Michael C.

Publication type:

Article

MO Study of flavin-protein interactions in flavodoxin catalysis.

Published in:

International Journal of Quantum Chemistry, 1980, v. 18, n. 2, p. 449, doi. 10.1002/qua.560180214

By:

Teitell, Murray F.;
Fox, J. Lawrence

Publication type:

Article

Infrared absorption of nonpolar molecules in rattling motion.

Published in:

International Journal of Quantum Chemistry, 1980, v. 18, n. 2, p. 533, doi. 10.1002/qua.560180225

By:

Hirokawa, Shoji

Publication type:

Article

Exciton transfer in the two-dimensional antiferromagnet (C2H5NH3)2MnCl4.

Published in:

International Journal of Quantum Chemistry, 1980, v. 18, n. 2, p. 619, doi. 10.1002/qua.560180236

By:

Kojima, N.;
Ban, T.;
Tsujikawa, I.

Publication type:

Article

The solvophobic theory for the prediction of molecular conformations and biopolymer bindings in solutions with recent direct experimental tests.

Published in:

International Journal of Quantum Chemistry, 1980, v. 18, n. 2, p. 381, doi. 10.1002/qua.560180207

By:

Sinanoğlu, Oktay

Publication type:

Article

Relativistically parametrized extended-Hückel calculations. II. Orbital energies of group-IV tetrahalides and tetramethyls.

Published in:

International Journal of Quantum Chemistry, 1980, v. 18, n. 2, p. 347, doi. 10.1002/qua.560180203

By:

Lohr, L. L.;
Hotokka, M.;
Pyykkö, P.

Publication type:

Article

Electronic states near dislocations in transition metals: An application of quantum chemistry in technology.

Published in:

International Journal of Quantum Chemistry, 1980, v. 18, n. 2, p. 575, doi. 10.1002/qua.560180229

By:

De Hosson, J. Th. M.

Publication type:

Article

Hydrophile-hydrophobe equilibrium of some prostaglandins- CNDO/SW study.

Published in:

International Journal of Quantum Chemistry, 1980, v. 18, n. 2, p. 501, doi. 10.1002/qua.560180220

By:

Grigoras, S.;
Rusu, I.;
Pausescu, E.;
Medesan, A.;
Moldoveanu, S.

Publication type:

Article

Editorial note.

Published in:

International Journal of Quantum Chemistry, 1980, v. 18, n. 2, p. 345, doi. 10.1002/qua.560180202

By:

Sabin, John R.

Publication type:

Article

Synchrotron radiation spectroscopy of quasi-one-dimensional materials.

Published in:

International Journal of Quantum Chemistry, 1980, v. 18, n. 2, p. 655, doi. 10.1002/qua.560180242

By:

Mitani, T.;
Suga, S.;
Tokura, Y.;
Koyama, K.;
Nakada, I.;
Koda, T.

Publication type:

Article

SCF CI MO calculations on the base-base interactions in dinucleoside monophosphates.

Published in:

International Journal of Quantum Chemistry, 1980, v. 18, n. 2, p. 439, doi. 10.1002/qua.560180213

By:

Gumbinger, H. G.;
Kaiser, P. M.

Publication type:

Article

Fluorescence spectra and their temperature dependence of amorphous anthracene films doped with naphthacene.

Published in:

International Journal of Quantum Chemistry, 1980, v. 18, n. 2, p. 587, doi. 10.1002/qua.560180231

By:

Maruyama, Yusei;
Takamiya-Ichikawa, Keiko

Publication type:

Article