Works matching IS 00207608 AND DT 1987 AND VI 31 AND IP 3

Results: 23

Generation of a full active configuration space basis in terms of symmetry- and spin-adapted antisymmetrized orbital products.

Published in:

International Journal of Quantum Chemistry, 1987, v. 31, n. 3, p. 489, doi. 10.1002/qua.560310320

By:

Lam, Miu-To Brenda;
Elbert, Stephen T.;
Ruedenberg, Klaus

Publication type:

Article

Introduction.

Published in:

International Journal of Quantum Chemistry, 1987, v. 31, n. 3, p. 333, doi. 10.1002/qua.560310302

By:

Öhrn, Yngve

Publication type:

Article

Stationary properties of δ E/δ R.

Published in:

International Journal of Quantum Chemistry, 1987, v. 31, n. 3, p. 425, doi. 10.1002/qua.560310313

By:

Epstein, Saul T.

Publication type:

Article

Explicit Galois resolvents for sextic equations.

Published in:

International Journal of Quantum Chemistry, 1987, v. 31, n. 3, p. 345, doi. 10.1002/qua.560310306

By:

Hurley, A. C.;
Head, A. K.

Publication type:

Article

A simple introduction to colored symmetry.

Published in:

International Journal of Quantum Chemistry, 1987, v. 31, n. 3, p. 455, doi. 10.1002/qua.560310317

By:

Coxeter, H. S. M.

Publication type:

Article

Masthead.

Published in:: International Journal of Quantum Chemistry, 1987, v. 31, n. 3, p. fmi, doi. 10.1002/qua.560310301
Publication type:: Article

Chiral-achiral molecular coupling: The effect on the chiral partner.

Published in:

International Journal of Quantum Chemistry, 1987, v. 31, n. 3, p. 417, doi. 10.1002/qua.560310312

By:

Craig, D. P.;
Thirunamachandran, T.

Publication type:

Article

Bases for the irreducible representations of O(3) symmetry adapted to a crystallographic point group.

Published in:

International Journal of Quantum Chemistry, 1987, v. 31, n. 3, p. 535, doi. 10.1002/qua.560310323

By:

Gould, M. D.;
Chandler, G. S.

Publication type:

Article

On the contribution of A. C. Hurley to theoretical chemistry.

Published in:

International Journal of Quantum Chemistry, 1987, v. 31, n. 3, p. 339, doi. 10.1002/qua.560310305

By:

Maslen, V. W.

Publication type:

Article

Bohr orbit theory revisited. II. Energies for 1 S, 2 P, 3 D, and 4 F states of helium.

Published in:

International Journal of Quantum Chemistry, 1987, v. 31, n. 3, p. 445, doi. 10.1002/qua.560310316

By:

Harcourt, Richard D.

Publication type:

Article

Diabatic surfaces which permute into one another.

Published in:

International Journal of Quantum Chemistry, 1987, v. 31, n. 3, p. 383, doi. 10.1002/qua.560310309

By:

Hall, G. G.

Publication type:

Article

Cation binding effect on imidazole tautomerism.

Published in:

International Journal of Quantum Chemistry, 1987, v. 31, n. 3, p. 405, doi. 10.1002/qua.560310311

By:

Basch, H.;
Krauss, M.;
Stevens, W. J.

Publication type:

Article

Integral processing in beyond-Hartree-Fock calculations.

Published in:

International Journal of Quantum Chemistry, 1987, v. 31, n. 3, p. 521, doi. 10.1002/qua.560310322

By:

Taylor, Peter R.

Publication type:

Article

Picture of the 'Cambridge five'︁.

Published in:: International Journal of Quantum Chemistry, 1987, v. 31, n. 3, p. 337, doi. 10.1002/qua.560310304
Publication type:: Article

Electron pair correlation in atoms and molecules.

Published in:

International Journal of Quantum Chemistry, 1987, v. 31, n. 3, p. 435, doi. 10.1002/qua.560310315

By:

Nesbet, R. K.

Publication type:

Article

Analysis of inter-ring coupling effects in N-heterobicyclic π-systems using a structural definition of aromaticity.

Published in:

International Journal of Quantum Chemistry, 1987, v. 31, n. 3, p. 369, doi. 10.1002/qua.560310308

By:

Gready, Jill E.

Publication type:

Article

Hole localization and broken symmetry: A theoretical study of core electron ionization in the Li2 molecule.

Published in:

International Journal of Quantum Chemistry, 1987, v. 31, n. 3, p. 471, doi. 10.1002/qua.560310319

By:

Bacskay, George B.;
Bryant, Glenn;
Hush, Noel S.

Publication type:

Article

The 3-21G(N*) basis set: An economical polarized basis set for ab initio studies on nitrogen-containing molecules.

Published in:

International Journal of Quantum Chemistry, 1987, v. 31, n. 3, p. 393, doi. 10.1002/qua.560310310

By:

Riggs, Noel V.;
Radom, Leo

Publication type:

Article

Configuration selection and extrapolation in multireference configuration interaction calculations: The (H2)2 van der waals complex as a benchmark example.

Published in:

International Journal of Quantum Chemistry, 1987, v. 31, n. 3, p. 507, doi. 10.1002/qua.560310321

By:

Shavitt, Isaiah;
Brown, Franklin B.;
Burton, Peter G.

Publication type:

Article

Picture of professor Andrew C. Hurley.

Published in:: International Journal of Quantum Chemistry, 1987, v. 31, n. 3, p. 335, doi. 10.1002/qua.560310303
Publication type:: Article

Fluorine peroxide (FOOF): A continuing problem for normally reliable theoretical methods.

Published in:

International Journal of Quantum Chemistry, 1987, v. 31, n. 3, p. 429, doi. 10.1002/qua.560310314

By:

Clabo, D. Allen;
Schaefer, Henry F.

Publication type:

Article

Exact wave functions for few-particle systems: The choice of expansion for coulomb potentials.

Published in:

International Journal of Quantum Chemistry, 1987, v. 31, n. 3, p. 361, doi. 10.1002/qua.560310307

By:

McIsaac, K.;
Maslen, E. N.

Publication type:

Article

Valence-bond calculations on N2 and isoelectronic species.

Published in:

International Journal of Quantum Chemistry, 1987, v. 31, n. 3, p. 463, doi. 10.1002/qua.560310318

By:

Maclagan, Robert G. A. R.;
Simpson, Richard W.

Publication type:

Article

Works matching IS 00207608 AND DT 1987 AND VI 31 AND IP 3

Generation of a full active configuration space basis in terms of symmetry- and spin-adapted antisymmetrized orbital products.

Introduction.

Stationary properties of δ E/δ R.

Explicit Galois resolvents for sextic equations.

A simple introduction to colored symmetry.

Masthead.

Chiral-achiral molecular coupling: The effect on the chiral partner.

Bases for the irreducible representations of O(3) symmetry adapted to a crystallographic point group.

On the contribution of A. C. Hurley to theoretical chemistry.

Bohr orbit theory revisited. II. Energies for 1 S, 2 P, 3 D, and 4 F states of helium.

Diabatic surfaces which permute into one another.

Cation binding effect on imidazole tautomerism.

Integral processing in beyond-Hartree-Fock calculations.

Picture of the 'Cambridge five'︁.

Electron pair correlation in atoms and molecules.

Analysis of inter-ring coupling effects in N-heterobicyclic π-systems using a structural definition of aromaticity.

Hole localization and broken symmetry: A theoretical study of core electron ionization in the Li<sub>2</sub> molecule.

The 3-21G(N*) basis set: An economical polarized basis set for ab initio studies on nitrogen-containing molecules.

Configuration selection and extrapolation in multireference configuration interaction calculations: The (H<sub>2</sub>)<sub>2</sub> van der waals complex as a benchmark example.

Picture of professor Andrew C. Hurley.

Fluorine peroxide (FOOF): A continuing problem for normally reliable theoretical methods.

Exact wave functions for few-particle systems: The choice of expansion for coulomb potentials.

Valence-bond calculations on N<sub>2</sub> and isoelectronic species.