Works matching IS 00207608 AND DT 1982 AND VI 22

Results: 144

Masthead.

Published in:: International Journal of Quantum Chemistry, 1982, v. 22, n. 6, p. fmi, doi. 10.1002/qua.560220601
Publication type:: Article

Announcement.

Published in:

International Journal of Quantum Chemistry, 1982, v. 22, n. 6, p. 1307, doi. 10.1002/qua.560220612

By:

Lipkowitz, K. B.;
Boyd, D. B.

Publication type:

Article

Treatment of hydrogen bonding within.

Published in:

International Journal of Quantum Chemistry, 1982, v. 22, n. 6, p. 1189, doi. 10.1002/qua.560220605

By:

Mohammad, S. Noor;
Hopfinger, A. J.

Publication type:

Article

Perturbation for a rigid rotator in an electric field.

Published in:

International Journal of Quantum Chemistry, 1982, v. 22, n. 6, p. 1263, doi. 10.1002/qua.560220609

By:

Requena, A.;
Peña, R.;
Serna, A.

Publication type:

Article

Cluster analysis of the full configuration interaction wave functions of cyclic polyene models.

Published in:

International Journal of Quantum Chemistry, 1982, v. 22, n. 6, p. 1281, doi. 10.1002/qua.560220611

By:

Paldus, J.;
Boyle, M. J.

Publication type:

Article

Method of recurrent construction of Löuwdin spin-adapted wave functions. II. Local representation of creation-annihilation operators.

Published in:

International Journal of Quantum Chemistry, 1982, v. 22, n. 6, p. 1177, doi. 10.1002/qua.560220604

By:

Panin, A. I.

Publication type:

Article

Obtaining self-consistent wave functions which satisfy the virial theorem.

Published in:

International Journal of Quantum Chemistry, 1982, v. 22, n. 6, p. 1249, doi. 10.1002/qua.560220608

By:

Magnoli, Douglas E.;
Murdoch, Joseph R.

Publication type:

Article

Calculated properties of some possible vinyl chloride metabolites.

Published in:

International Journal of Quantum Chemistry, 1982, v. 22, n. 6, p. 1271, doi. 10.1002/qua.560220610

By:

Politzer, Peter;
Proctor, Timothy R.

Publication type:

Article

Bounds to atomic properties: Electric polarizabilities of lithium isoelectronic sequence ions.

Published in:

International Journal of Quantum Chemistry, 1982, v. 22, n. 6, p. 1153, doi. 10.1002/qua.560220603

By:

Muszyńska, J.;
Papierowska, D.;
Pipin, J.;
Woźnicki, W.

Publication type:

Article

Theoretical analysis of K-region and bay-region indicators of carcinogenicity.

Published in:

International Journal of Quantum Chemistry, 1982, v. 22, n. 6, p. 1221, doi. 10.1002/qua.560220607

By:

Lowe, John P.

Publication type:

Article

Matrix element factorization in the unitary group approach for configuration interaction calculations.

Published in:

International Journal of Quantum Chemistry, 1982, v. 22, n. 6, p. 1085, doi. 10.1002/qua.560220602

By:

Payne, Philip W.

Publication type:

Article

Symmetry analysis of sigmatropic rearrangements.

Published in:

International Journal of Quantum Chemistry, 1982, v. 22, n. 6, p. 1209, doi. 10.1002/qua.560220606

By:

Sun, Chia-Chung;
Sun, Wei-Guo;
Zhang, Jing-Chang;
Jin, Guang-Zhu

Publication type:

Article

Study of an approximate relation between the energy of an atom and the electronic potential at the nucleus.

Published in:

International Journal of Quantum Chemistry, 1982, v. 22, n. 5, p. 989, doi. 10.1002/qua.560220510

By:

Alonso, J. A.;
González, D. J.;
Balbás, L. C.

Publication type:

Article

Quantum fluid dynamics of many-electron systems in three-dimensional space.

Published in:

International Journal of Quantum Chemistry, 1982, v. 22, n. 5, p. 871, doi. 10.1002/qua.560220503

By:

Ghosh, S. K.;
Deb, B. M.

Publication type:

Article

New derivation of (in)stability conditions for projected Hartree-Fock solutions.

Published in:

International Journal of Quantum Chemistry, 1982, v. 22, n. 5, p. 1033, doi. 10.1002/qua.560220514

By:

Karadakov, P.;
Castan̄o, O.

Publication type:

Article

Conformational analysis by bond orbitals with delocalization corrections: Rotation of the ser-195 side chain in α-chymotrypsin.

Published in:

International Journal of Quantum Chemistry, 1982, v. 22, n. 5, p. 929, doi. 10.1002/qua.560220507

By:

Surján, Peter R.;
Náray-Szabó, Gábor;
Mayer, István

Publication type:

Article

Spontaneous symmetry breaking in large scale nervous activity.

Published in:

International Journal of Quantum Chemistry, 1982, v. 22, n. 5, p. 1059, doi. 10.1002/qua.560220518

By:

Cowan, Jack D.

Publication type:

Article

Spin Eigenfunctions: Construction and use. By Ruben Pauncz. Plenum, New York and London, 1979.

Published in:

International Journal of Quantum Chemistry, 1982, v. 22, n. 5, p. 1083, doi. 10.1002/qua.560220520

By:

Calais, Jean-Louis

Publication type:

Article

Quantum chemical calculation of phosphorescence microwave double resonance spectra.

Published in:

International Journal of Quantum Chemistry, 1982, v. 22, n. 5, p. 863, doi. 10.1002/qua.560220502

By:

Minaev, B. F.;
Muldahmetov, Z. M.;
Irgibaeva, I. S.;
Tlepbergenov, T. O.;
Kizhner, D. M.

Publication type:

Article

Electronic structure and bonding of the pentasulfur hexanitride (S.

Published in:

International Journal of Quantum Chemistry, 1982, v. 22, n. 5, p. 903, doi. 10.1002/qua.560220505

By:

Trsic, Milan;
Wagstaff, Kim;
Laidlaw, William G.

Publication type:

Article

Direct calculation of lattice sums. A method to account for the crystal field effects.

Published in:

International Journal of Quantum Chemistry, 1982, v. 22, n. 5, p. 911, doi. 10.1002/qua.560220506

By:

Stolarczyk, Leszek Z.;
Piela, Lucjan

Publication type:

Article

Some properties of the Lagrange multiplier μ in density functional theory.

Published in:

International Journal of Quantum Chemistry, 1982, v. 22, n. 5, p. 1049, doi. 10.1002/qua.560220517

By:

Nguyen-Dang, T. T.;
Bader, R. F. W.;
Essén, H.

Publication type:

Article

Masthead.

Published in:: International Journal of Quantum Chemistry, 1982, v. 22, n. 5, p. fmi, doi. 10.1002/qua.560220501
Publication type:: Article

Calculation of diamagnetic susceptibilities from the Thomas-Fermi-Amaldi theory for ions.

Published in:

International Journal of Quantum Chemistry, 1982, v. 22, n. 5, p. 1005, doi. 10.1002/qua.560220512

By:

Donnamaria, Maria C.;
Castro, Eduardo A.;
Fernández, Francisco M.

Publication type:

Article

Symmetry operators of generalized wreath products and their applications to chemical physics.

Published in:

International Journal of Quantum Chemistry, 1982, v. 22, n. 5, p. 1013, doi. 10.1002/qua.560220513

By:

Balasubramanian, K.

Publication type:

Article

Ab initio molecular orbital study of the tautomerism of 4-hydroxy-2-pyridinone.

Published in:

International Journal of Quantum Chemistry, 1982, v. 22, n. 5, p. 1041, doi. 10.1002/qua.560220516

By:

Schlegel, H. Bernhard

Publication type:

Article

Electronic state representations at molecular potential pseudocrossings.

Published in:

International Journal of Quantum Chemistry, 1982, v. 22, n. 5, p. 971, doi. 10.1002/qua.560220509

By:

Olson, John A.;
Micha, David A.

Publication type:

Article

Coherent multiphoton absorption: Dependency on the relative phase of two successive pulses.

Published in:

International Journal of Quantum Chemistry, 1982, v. 22, n. 5, p. 999, doi. 10.1002/qua.560220511

By:

Besnainou, Sylvette;
Stone, James;
Diels, Jean-Claude

Publication type:

Article

Reorganization effects in the photoelectron spectra of transition metal compounds: A Green's function study in the framework of a variable.

Published in:

International Journal of Quantum Chemistry, 1982, v. 22, n. 5, p. 939, doi. 10.1002/qua.560220508

By:

Böhm, Michael C.

Publication type:

Article

Evaluation of the second-order reduced density matrix for correlated electronic wave functions.

Published in:

International Journal of Quantum Chemistry, 1982, v. 22, n. 5, p. 889, doi. 10.1002/qua.560220504

By:

Luken, William L.

Publication type:

Article

Diamagnetic shielding constants of first-row atoms: Studies with a piecewise exponentially decaying electron density function.

Published in:

International Journal of Quantum Chemistry, 1982, v. 22, n. 5, p. 1037, doi. 10.1002/qua.560220515

By:

Kaur, Livjeet

Publication type:

Article

Symmetric group graphical approach to the direct configuration interaction method.

Published in:

International Journal of Quantum Chemistry, 1982, v. 22, n. 4, p. 783, doi. 10.1002/qua.560220411

By:

Duch, Wlodzislaw;
Karwowski, Jacek

Publication type:

Article

Quantum dynamics of molecules: The new experimental challenge to theorists. Edited by R. G. Woolley. NATO Advanced Study Institute Series B57, Plenum, New York and London, 1980.

Published in:

International Journal of Quantum Chemistry, 1982, v. 22, n. 5, p. 1083, doi. 10.1002/qua.560220519

By:

Calais, Jean-Louis

Publication type:

Article

Electrostatic potential around halogenated anesthetics. Acidic hydrogen; chlorine vs. fluorine.

Published in:

International Journal of Quantum Chemistry, 1982, v. 22, n. 4, p. 691, doi. 10.1002/qua.560220404

By:

Ruelle, P.;
Sandorfy, C.

Publication type:

Article

Convergence behavior of some orbital optimization procedures.

Published in:

International Journal of Quantum Chemistry, 1982, v. 22, n. 4, p. 753, doi. 10.1002/qua.560220408

By:

Bhattacharyya, Sankar Prasad;
Mukherjee, Debashis;
Bhattacharyya, Debendra Madhab;
Khan, Priyotosh

Publication type:

Article

Molecular inversion in the nπ* states: A theoretical investigation of some model systems in a semiempirical molecular orbital framework.

Published in:

International Journal of Quantum Chemistry, 1982, v. 22, n. 4, p. 775, doi. 10.1002/qua.560220410

By:

Banerjee, Manas;
Bhattacharyya, Sankar Prasad

Publication type:

Article

Further calculations on the internal rotation spectrum of phenol.

Published in:

International Journal of Quantum Chemistry, 1982, v. 22, n. 4, p. 681, doi. 10.1002/qua.560220403

By:

Smeyers, Y. G.;
Hernández-Laguna, A.

Publication type:

Article

Relation of the charge and spin correlation functions to the structures of π electron wave functions in alternant hydrocarbons.

Published in:

International Journal of Quantum Chemistry, 1982, v. 22, n. 4, p. 851, doi. 10.1002/qua.560220414

By:

Hashimoto, Katsufumi

Publication type:

Article

Theoretical study of the adsorption of silver atoms on the (111) face of silicon.

Published in:

International Journal of Quantum Chemistry, 1982, v. 22, n. 4, p. 739, doi. 10.1002/qua.560220407

By:

Julg, André;
Allouche, Alain

Publication type:

Article

Symmetry analysis of cycloadditions and electrocyclic reactions.

Published in:

International Journal of Quantum Chemistry, 1982, v. 22, n. 4, p. 665, doi. 10.1002/qua.560220402

By:

Sun, Chia-Chung;
Zhang, Jing-Chang;
Jin, Guang-Zhu;
Sun, Wei-Guo

Publication type:

Article

Calculation of the 4 S4 P0 spectrum of lithiumlike ions by the Hylleraas method.

Published in:

International Journal of Quantum Chemistry, 1982, v. 22, n. 4, p. 837, doi. 10.1002/qua.560220413

By:

Larsson, Sven;
Crossley, Richard

Publication type:

Article

Angular integrations in m-dimensional spaces and hyperspherical harmonics.

Published in:

International Journal of Quantum Chemistry, 1982, v. 22, n. 4, p. 717, doi. 10.1002/qua.560220406

By:

Avery, John;
Wen, Zhen-Yi

Publication type:

Article

Masthead.

Published in:: International Journal of Quantum Chemistry, 1982, v. 22, n. 4, p. fmi, doi. 10.1002/qua.560220401
Publication type:: Article

Peierls- and Mott-type instabilities in one-dimensional chains-coexistence or contradiction.

Published in:

International Journal of Quantum Chemistry, 1982, v. 22, n. 4, p. 825, doi. 10.1002/qua.560220412

By:

Kventsel, G. F.

Publication type:

Article

Theoretical study of the interaction of nonactin with Na+, K+, and NH.

Published in:

International Journal of Quantum Chemistry, 1982, v. 22, n. 4, p. 709, doi. 10.1002/qua.560220405

By:

Gresh, Nohad;
Pullman, Alberte

Publication type:

Article

Peierls instability and vibrational spectra of polyacetylene.

Published in:

International Journal of Quantum Chemistry, 1982, v. 22, n. 4, p. 761, doi. 10.1002/qua.560220409

By:

Ovchinnikov, A. A.;
Belinskii, A. E.;
Misurkin, I. A.;
Ukrainskii, I. I.

Publication type:

Article

The fourth international colloquium on physical and chemical information transfer in the regulation of reproduction and ageing.

Published in:

International Journal of Quantum Chemistry, 1982, v. 22, n. 3, p. 663, doi. 10.1002/qua.560220317

By:

Vassileva, Julia G.

Publication type:

Article

Masthead.

Published in:: International Journal of Quantum Chemistry, 1982, v. 22, n. 3, p. fmi, doi. 10.1002/qua.560220301
Publication type:: Article

Localized bond model for molecular energy to fourth order in perturbation theory.

Published in:

International Journal of Quantum Chemistry, 1982, v. 22, n. 3, p. 497, doi. 10.1002/qua.560220305

By:

Cullen, John M.;
Zerner, Michael C.

Publication type:

Article

Theoretical investigation of the electrophilic attack. IX. Ab initio study of the C.

Published in:

International Journal of Quantum Chemistry, 1982, v. 22, n. 3, p. 631, doi. 10.1002/qua.560220312

By:

Volkmann, D.;
Z̈rawski, B.;
Heidrich, D.

Publication type:

Article