Works matching IS 00207608 AND DT 1996 AND VI 58 AND IP 6

Results: 17

A density functional study of the electronic spectrum of permanganate.

Published in:

International Journal of Quantum Chemistry, 1996, v. 58, n. 6, p. 681, doi. 10.1002/(SICI)1097-461X(1996)58:6<681::AID-QUA10>3.0.CO;2-0

By:

Dickson, Ross M.;
Ziegler, Tom

Publication type:

Article

Transfer matrices, band structures, and localized orbitals in quasi-one-dimensional systems.

Published in:

International Journal of Quantum Chemistry, 1996, v. 58, n. 6, p. 717, doi. 10.1002/(SICI)1097-461X(1996)58:6<717::AID-QUA14>3.0.CO;2-U

By:

Springborg, Michael

Publication type:

Article

Foreword.

Published in:

International Journal of Quantum Chemistry, 1996, v. 58, n. 6, p. 537, doi. 10.1002/qua.560580602

By:

Avery, John

Publication type:

Article

Wavelets-something for quantum chemistry?

Published in:

International Journal of Quantum Chemistry, 1996, v. 58, n. 6, p. 541, doi. 10.1002/(SICI)1097-461X(1996)58:6<541::AID-QUA1>3.0.CO;2-Y

By:

Calais, Jean-Louis

Publication type:

Article

New approaches to a classical theory of unimolecular reaction rate.

Published in:

International Journal of Quantum Chemistry, 1996, v. 58, n. 6, p. 593, doi. 10.1002/(SICI)1097-461X(1996)58:6<593::AID-QUA5>3.0.CO;2-T

By:

Rice, Stuart A.;
Zhao, Meishan

Publication type:

Article

Electronic structure and metal-metal interaction in edge- and face-sharing bioctahedral compounds of molybdenum.

Published in:

International Journal of Quantum Chemistry, 1996, v. 58, n. 6, p. 671, doi. 10.1002/(SICI)1097-461X(1996)58:6<671::AID-QUA9>3.0.CO;2-V

By:

Cotton, F. Albert;
Feng, Xuejun

Publication type:

Article

Evaluation of strain in heterosiliranes: Systematics, surprises, and problems.

Published in:

International Journal of Quantum Chemistry, 1996, v. 58, n. 6, p. 707, doi. 10.1002/(SICI)1097-461X(1996)58:6<707::AID-QUA13>3.0.CO;2-U

By:

Liebman, Joel F.;
Skancke, Per N.

Publication type:

Article

Masthead.

Published in:: International Journal of Quantum Chemistry, 1996, v. 58, n. 6, p. fmi, doi. 10.1002/qua.560580601
Publication type:: Article

Bond making and bond breaking in molecular dynamics.

Published in:

International Journal of Quantum Chemistry, 1996, v. 58, n. 6, p. 583, doi. 10.1002/(SICI)1097-461X(1996)58:6<583::AID-QUA4>3.0.CO;2-U

By:

Öhrn, Yngve;
Oreiro, Juan;
Deumens, Erik

Publication type:

Article

Many-dimensional potential surfaces: What they imply and how to think about them.

Published in:

International Journal of Quantum Chemistry, 1996, v. 58, n. 6, p. 657, doi. 10.1002/(SICI)1097-461X(1996)58:6<657::AID-QUA8>3.0.CO;2-X

By:

Berry, R. Stephen

Publication type:

Article

Bond alternation in ring-shaped molecules: The stability of the Peierls instability.

Published in:

International Journal of Quantum Chemistry, 1996, v. 58, n. 6, p. 699, doi. 10.1002/(SICI)1097-461X(1996)58:6<699::AID-QUA12>3.0.CO;2-T

By:

Lieb, Elliott H.;
Nachtergaele, Bruno

Publication type:

Article

Dissipative and fluctuation phenomena in quantum mechanics with applications.

Published in:

International Journal of Quantum Chemistry, 1996, v. 58, n. 6, p. 569, doi. 10.1002/(SICI)1097-461X(1996)58:6<569::AID-QUA3>3.0.CO;2-W

By:

O'Connell, R. F.

Publication type:

Article

The development of the idea of a chemical bond.

Published in:

International Journal of Quantum Chemistry, 1996, v. 58, n. 6, p. 645, doi. 10.1002/(SICI)1097-461X(1996)58:6<645::AID-QUA7>3.0.CO;2-Y

By:

Sutcliffe, Brian T.

Publication type:

Article

The maximum entropy method and relaxation for multiple collisions involving highly charged ions.

Published in:

International Journal of Quantum Chemistry, 1996, v. 58, n. 6, p. 689, doi. 10.1002/(SICI)1097-461X(1996)58:6<689::AID-QUA11>3.0.CO;2-T

By:

Goscinski, Osvaldo;
Hägg, Lotten

Publication type:

Article

Overture.

Published in:

International Journal of Quantum Chemistry, 1996, v. 58, n. 6, p. 539, doi. 10.1002/qua.560580603

By:

Ballhausen, C. J.

Publication type:

Article

Some comments on the properties of unitary transformations on linear spaces having an indefinite metric and the connection with the theory of spin.

Published in:

International Journal of Quantum Chemistry, 1996, v. 58, n. 6, p. 549, doi. 10.1002/(SICI)1097-461X(1996)58:6<549::AID-QUA2>3.0.CO;2-Y

By:

Löwdin, Per-Olov

Publication type:

Article

A graphical approach to permutation group representations for many-electron systems.

Published in:

International Journal of Quantum Chemistry, 1996, v. 58, n. 6, p. 637, doi. 10.1002/(SICI)1097-461X(1996)58:6<637::AID-QUA6>3.0.CO;2-Z

By:

Sarma, C. R.;
Ahsan, M. A. H.;
Rettrup, Sten

Publication type:

Article