Works matching IS 00207608 AND DT 1982 AND VI 22 AND IP 2

Results: 22

Instabilities of the symmetry-adapted restricted-hartree-fock ground state in infinite polyenes. I. Singlet instabilities.

Published in:

International Journal of Quantum Chemistry, 1982, v. 22, n. 2, p. 351, doi. 10.1002/qua.560220212

By:

Karadakov, P.;
Castan̄o, O.

Publication type:

Article

PCILO Study of the Conformation of 20-Oxopregnane Hormones.

Published in:

International Journal of Quantum Chemistry, 1982, v. 22, n. 2, p. 265, doi. 10.1002/qua.560220205

By:

Viana, Luci Martins;
Takahata, Yuji

Publication type:

Article

Generalized Euler transformation in extracting useful information from divergent (asymptotic) perturbation series and the construction of Padé approximants.

Published in:

International Journal of Quantum Chemistry, 1982, v. 22, n. 2, p. 307, doi. 10.1002/qua.560220210

By:

Bhattacharyya, Kamal

Publication type:

Article

The graph center concept for polycyclic graphs.

Published in:

International Journal of Quantum Chemistry, 1982, v. 22, n. 2, p. 441, doi. 10.1002/qua.560220221

By:

Bonchev, Danail;
Balaban, Alexandru T.;
Randić, Milan

Publication type:

Article

Analysis of the covalent bond: One center floating functions for the hydrogen molecule ion.

Published in:

International Journal of Quantum Chemistry, 1982, v. 22, n. 2, p. 241, doi. 10.1002/qua.560220203

By:

Hurley, A. C.

Publication type:

Article

Method for constructing isomerization reactions.

Published in:

International Journal of Quantum Chemistry, 1982, v. 22, n. 2, p. 385, doi. 10.1002/qua.560220214

By:

Balasubramanian, K.

Publication type:

Article

Remarks on the use of the average occupation numbers in the.

Published in:

International Journal of Quantum Chemistry, 1982, v. 22, n. 2, p. 289, doi. 10.1002/qua.560220207

By:

Colle, Renato;
Salvetti, Oriano

Publication type:

Article

Calculation of total molecular energies from an approximate relation between.

Published in:

International Journal of Quantum Chemistry, 1982, v. 22, n. 2, p. 429, doi. 10.1002/qua.560220218

By:

Donati, E.;
Castro, E. A.;
Fernández, F. M.

Publication type:

Article

Electronic structure of triatomic interhalogens.

Published in:

International Journal of Quantum Chemistry, 1982, v. 22, n. 2, p. 435, doi. 10.1002/qua.560220220

By:

De, B. R.;
Sannigrahi, A. B.

Publication type:

Article

Two-body operator matrix elements for pure and mixed orbital configurations in the unitary group approach.

Published in:

International Journal of Quantum Chemistry, 1982, v. 22, n. 2, p. 223, doi. 10.1002/qua.560220202

By:

Kent, R. D.;
Schlesinger, M.

Publication type:

Article

Instabilities of the symmetry-adapted restricted-Hartree-Fock ground state in infinite polyenes. II. Nonsinglet instabilities.

Published in:

International Journal of Quantum Chemistry, 1982, v. 22, n. 2, p. 367, doi. 10.1002/qua.560220213

By:

Castan̄o, O.;
Karadakov, P.

Publication type:

Article

Coordinate rotated.

Published in:

International Journal of Quantum Chemistry, 1982, v. 22, n. 2, p. 275, doi. 10.1002/qua.560220206

By:

Nielsen, Egon S.;
Simons, Jack

Publication type:

Article

Ab initio molecular calculations with pseudopotentials: Higher quality calculations on Li.

Published in:

International Journal of Quantum Chemistry, 1982, v. 22, n. 2, p. 421, doi. 10.1002/qua.560220217

By:

Gáspár, R.

Publication type:

Article

Masthead.

Published in:: International Journal of Quantum Chemistry, 1982, v. 22, n. 2, p. fmi, doi. 10.1002/qua.560220201
Publication type:: Article

Ab initio molecular calculations with pseudopotentials: Calculations of double-zeta quality on ethylene, acetylene, and water.

Published in:

International Journal of Quantum Chemistry, 1982, v. 22, n. 2, p. 415, doi. 10.1002/qua.560220216

By:

Gáspár, R.

Publication type:

Article

Structures, stabilities, and energies of isomerization of α-cyano and α-isocyano carbanions.

Published in:

International Journal of Quantum Chemistry, 1982, v. 22, n. 2, p. 299, doi. 10.1002/qua.560220209

By:

Moffat, J. B.

Publication type:

Article

Longuet-Higgins groups of XeF.

Published in:

International Journal of Quantum Chemistry, 1982, v. 22, n. 2, p. 331, doi. 10.1002/qua.560220211

By:

Brocas, J.;
Rusu, C.

Publication type:

Article

Spin-orbit coupling in molecules. By W. C. Richards, H. P. Trivedi, and D. L. Cooper Clarendon Press, Oxford, 1981.

Published in:

International Journal of Quantum Chemistry, 1982, v. 22, n. 2, p. 443, doi. 10.1002/qua.560220222

By:

Ågren, Hans

Publication type:

Article

Derivation of theoretical formulas for resonance integrals from Heisenberg equation of motion.

Published in:

International Journal of Quantum Chemistry, 1982, v. 22, n. 2, p. 253, doi. 10.1002/qua.560220204

By:

Lipiński, Józef;
Leszczyński, Jerzy

Publication type:

Article

Unrestricted-Hartree-Fock wave functions approximating low-lying covalent states of ring π systems.

Published in:

International Journal of Quantum Chemistry, 1982, v. 22, n. 2, p. 397, doi. 10.1002/qua.560220215

By:

Hashimoto, Katsufumi

Publication type:

Article

Invariance properties of the multipole expansion.

Published in:

International Journal of Quantum Chemistry, 1982, v. 22, n. 2, p. 293, doi. 10.1002/qua.560220208

By:

Piecuch, Piotr

Publication type:

Article

Omission in a comparative study of the structure and properties of ClF.

Published in:

International Journal of Quantum Chemistry, 1982, v. 22, n. 2, p. 433, doi. 10.1002/qua.560220219

By:

Castro, Eduardo A.;
Vasini, Enrique J.

Publication type:

Article