Works matching IS 00207608 AND DT 2004 AND VI 99 AND IP 6

Results: 13

Relativistic and Electron Correlation Effects for Molecules of Heavy Elements: Ab Initio Fully Relativistic Coupled-Cluster Calculations for PbH4.

Published in:

International Journal of Quantum Chemistry, 2004, v. 99, n. 6, p. 940, doi. 10.1002/qua.20142

By:

Malli, Gulzari L.;
Siegert, Martin;
Turner, David P.

Publication type:

Article

The Dirac Equation in the Algebraic Approximation. IX. Matrix Dirac—Hartree—Fock Calculations for the HeH and BeH Ground States Using Distributed Gaussian Basis Sets.

Published in:

International Journal of Quantum Chemistry, 2004, v. 99, n. 6, p. 950, doi. 10.1002/qua.20146

By:

Quiney, H. M.;
Glushkov, V. N.;
Wilson, S.

Publication type:

Article

Determination of an Improved Set of Harmonic Force Constants for Benzene.

Published in:

International Journal of Quantum Chemistry, 2004, v. 99, n. 6, p. 894, doi. 10.1002/qua.20140

By:

Rashev, Svetoslav

Publication type:

Article

Size Extensivity of a General-Model-Space State-Universal Coupled-Cluster Method.

Published in:

International Journal of Quantum Chemistry, 2004, v. 99, n. 6, p. 914, doi. 10.1002/qua.20144

By:

Li, Xiangzhu;
Paldus, Josef

Publication type:

Article

Distributed Gaussian Basis Sets: Variationally Optimized s-Type Sets for the Open-Shell Systems HeH and BeH.

Published in:

International Journal of Quantum Chemistry, 2004, v. 99, n. 6, p. 903, doi. 10.1002/qua.20143

By:

Glushkov, V. N.;
Wilson, S.

Publication type:

Article

Protein Effects on the O2 Binding to the Active Site of the Methane Monooxygenase: ONIOM Studies.

Published in:

International Journal of Quantum Chemistry, 2004, v. 99, n. 6, p. 972, doi. 10.1002/qua.20141

By:

Hoffmann, Marcin;
Khavrutskii, Ilja V.;
Musaev, Djamaladdin G.;
Morokuma, Keiji

Publication type:

Article

Alternatives to Multireference Methods for the Molecular Electronic Structure Problem.

Published in:

International Journal of Quantum Chemistry, 2004, v. 99, n. 6, p. 925, doi. 10.1002/qua.20145

By:

Wilson, S.

Publication type:

Article

Cooperative Laser-Electron-Nuclear Processes: QED Calculation of Electron Satellites Spectra for Multi-Charged Ion in Laser Field.

Published in:

International Journal of Quantum Chemistry, 2004, v. 99, n. 6, p. 889, doi. 10.1002/qua.20139

By:

Glushkov, Alexander V.;
Malinovskaya, Svetlana V.;
Chernyakova, Yulia G.;
Svinarenko, Andrey A.

Publication type:

Article

DC Strong Field Stark Effect for Nonhydrogenic Atoms: Consistent Quantum Mechanical Approach.

Published in:

International Journal of Quantum Chemistry, 2004, v. 99, n. 6, p. 936, doi. 10.1002/qua.20138

By:

Glushkov, Alexander V.;
Ambrosov, Sergey V.;
Ignatenko, Anna V.;
Korchevsky, Dmitry A.

Publication type:

Article

Nature of O2, CO, and CN Binding to Hemoprotein Models.

Published in:

International Journal of Quantum Chemistry, 2004, v. 99, n. 6, p. 963, doi. 10.1002/qua.20137

By:

Torrens, F.

Publication type:

Article

Löwdin's Canonical Orthogonalization: Getting Round the Restriction of Linear Independence.

Published in:

International Journal of Quantum Chemistry, 2004, v. 99, n. 6, p. 882, doi. 10.1002/qua.20136

By:

Naidu, A. Ramesh;
Srivastava, Vipin

Publication type:

Article

List of Participants.

Published in:: International Journal of Quantum Chemistry, 2004, v. 99, n. 6, p. 879, doi. 10.1002/qua.20135
Publication type:: Article

Preface.

Published in:

2004

By:

Paldus, Josef;
Čížek, Jiří

Publication type:

Book Chapter

Works matching IS 00207608 AND DT 2004 AND VI 99 AND IP 6

Relativistic and Electron Correlation Effects for Molecules of Heavy Elements: Ab Initio Fully Relativistic Coupled-Cluster Calculations for PbH<sub>4</sub>.

The Dirac Equation in the Algebraic Approximation. IX. Matrix Dirac—Hartree—Fock Calculations for the HeH and BeH Ground States Using Distributed Gaussian Basis Sets.

Determination of an Improved Set of Harmonic Force Constants for Benzene.

Size Extensivity of a General-Model-Space State-Universal Coupled-Cluster Method.

Distributed Gaussian Basis Sets: Variationally Optimized s-Type Sets for the Open-Shell Systems HeH and BeH.

Protein Effects on the O<sub>2</sub> Binding to the Active Site of the Methane Monooxygenase: ONIOM Studies.

Alternatives to Multireference Methods for the Molecular Electronic Structure Problem.

Cooperative Laser-Electron-Nuclear Processes: QED Calculation of Electron Satellites Spectra for Multi-Charged Ion in Laser Field.

DC Strong Field Stark Effect for Nonhydrogenic Atoms: Consistent Quantum Mechanical Approach.

Nature of O<sub>2</sub>, CO, and CN Binding to Hemoprotein Models.

Löwdin's Canonical Orthogonalization: Getting Round the Restriction of Linear Independence.

List of Participants.

Preface.