Works matching IS 00207608 AND DT 1979 AND VI 16 AND IP 2

Results: 19

Ab initio calculations including electron correlation for the minimum energy path of the (1 A1) CH2+(1Σ.

Published in:

International Journal of Quantum Chemistry, 1979, v. 16, n. 2, p. 277, doi. 10.1002/qua.560160210

By:

Jeziorek, Danuta;
Żurawski, Bronisław

Publication type:

Article

Energy migration in one-dimensional structures with resonance interaction.

Published in:

International Journal of Quantum Chemistry, 1979, v. 16, n. 2, p. 215, doi. 10.1002/qua.560160203

By:

Fedyanin, V. K.;
Yakushevich, L. V.

Publication type:

Article

Assessment of reaction center special-pair chlorophyll models.

Published in:

International Journal of Quantum Chemistry, 1979, v. 16, n. 2, p. 331, doi. 10.1002/qua.560160214

By:

Maggiora, Gerald M.

Publication type:

Article

Geometry of ammonia molecule in the lowest triplet state estimated theoretically.

Published in:

International Journal of Quantum Chemistry, 1979, v. 16, n. 2, p. 261, doi. 10.1002/qua.560160207

By:

Jeziorek, Danuta;
Żurawski, Bronislaw

Publication type:

Article

Charge transfer interactions between nucleic acid bases and strong acceptors.

Published in:

International Journal of Quantum Chemistry, 1979, v. 16, n. 2, p. 387, doi. 10.1002/qua.560160218

By:

Sheina, G. G.;
Radchenko, E. D.;
Egupov, S. A.;
Blagoy, Yu. P.;
Orlov, V. M.

Publication type:

Article

Quantum-Chemical and semiclassical calculations of intermolecular interactions of phospholipids.

Published in:

International Journal of Quantum Chemistry, 1979, v. 16, n. 2, p. 203, doi. 10.1002/qua.560160202

By:

Frischleder, H.;
Lochmann, R.

Publication type:

Article

Heme proteins and metalloporphyrins: Redox chemistry and oxygen binding.

Published in:

International Journal of Quantum Chemistry, 1979, v. 16, n. 2, p. 311, doi. 10.1002/qua.560160213

By:

Dolphin, David;
Addison, Anthony W.;
Cairns, Max;
Dinello, Robert K.;
Farrell, Nicholas P.;
James, Brian R.;
Paulson, Donald R.;
Welborn, Curtis

Publication type:

Article

Role of entropy in formation of van der Waals complexes.

Published in:

International Journal of Quantum Chemistry, 1979, v. 16, n. 2, p. 257, doi. 10.1002/qua.560160206

By:

Hobza, P.;
Čársky, P.;
Zahradník, R.

Publication type:

Article

Theoretical conformational analysis considering solvent effects.

Published in:

International Journal of Quantum Chemistry, 1979, v. 16, n. 2, p. 379, doi. 10.1002/qua.560160217

By:

Hofmann, Hans-Jörg;
Peinel, Gustav;
Weller, Thilo

Publication type:

Article

Masthead.

Published in:: International Journal of Quantum Chemistry, 1979, v. 16, n. 2, p. fmi, doi. 10.1002/qua.560160201
Publication type:: Article

Intermolecular charge transfer in model hydrogen-bonded systems-biological implications.

Published in:

International Journal of Quantum Chemistry, 1979, v. 16, n. 2, p. 299, doi. 10.1002/qua.560160212

By:

Chojnacki, Henryk

Publication type:

Article

Ab initio calculations and absolute rate theory. Critical test for a series of elementary gas-phase reactions.

Published in:

International Journal of Quantum Chemistry, 1979, v. 16, n. 2, p. 243, doi. 10.1002/qua.560160205

By:

Čársky, P.;
Zahradník, R.

Publication type:

Article

Conformational properties of biomacromolecules (proteins and nucleic acids) at low temperatures and the problem of interaction of biopolymers with water molecules and ions of dissolved salts.

Published in:

International Journal of Quantum Chemistry, 1979, v. 16, n. 2, p. 367, doi. 10.1002/qua.560160216

By:

Andronikashvili, E. L.;
Mrevlishvili, G. M.;
Japaridze, G. Sh.;
Sokhadze, V. M.

Publication type:

Article

Excited electronic states of a hydrogen bond: Bifluoride ion.

Published in:

International Journal of Quantum Chemistry, 1979, v. 16, n. 2, p. 273, doi. 10.1002/qua.560160209

By:

Lozes, Richard;
Sabin, John R.

Publication type:

Article

Theoretical studies on substrate binding to the active site of carbonic anhydrase.

Published in:

International Journal of Quantum Chemistry, 1979, v. 16, n. 2, p. 293, doi. 10.1002/qua.560160211

By:

Sawaryn, Andrzej;
Andrzej Sokalski, W.

Publication type:

Article

Quantum chemical and physicochemical influences on structure-activity relations and drug design.

Published in:

International Journal of Quantum Chemistry, 1979, v. 16, n. 2, p. 221, doi. 10.1002/qua.560160204

By:

Kaufman, Joyce J.

Publication type:

Article

Theory of chemical reactions in condensed media and its applications to biological processes.

Published in:

International Journal of Quantum Chemistry, 1979, v. 16, n. 2, p. 353, doi. 10.1002/qua.560160215

By:

Christov, S. G.

Publication type:

Article

Electrostatic isopotential maps for large biomolecules.

Published in:

International Journal of Quantum Chemistry, 1979, v. 16, n. 2, p. 265, doi. 10.1002/qua.560160208

By:

Náray-Szabó, G.

Publication type:

Article

Molecular electrostatic potential of the B-DNA helix. I. Region of the guanine-cytosine base pair.

Published in:

International Journal of Quantum Chemistry, 1979, v. 16, n. 2, p. 395, doi. 10.1002/qua.560160219

By:

Pullman, Alberte;
Zakrzewska, Chrystyna;
Perahia, David

Publication type:

Article