Quantum Theory of Electronic Structure of Molecules

Annual Review of Physical Chemistry ◽

10.1146/annurev.pc.11.100160.000543 ◽

1960 ◽

Vol 11 (1) ◽

pp. 107-132 ◽

Author(s):

P O Lowdin

Keyword(s):

Electronic Structure ◽

Quantum Theory ◽

Structure Of Molecules

Download Full-text

Quantum Theory of Molecules and Solids, Vol. 1: Electronic Structure of Molecules

American Journal of Physics ◽

10.1119/1.1970097 ◽

1964 ◽

Vol 32 (1) ◽

pp. 65-66 ◽

Author(s):

John C. Slater ◽

Arnold Russek

Keyword(s):

Electronic Structure ◽

Quantum Theory ◽

Structure Of Molecules ◽

Quantum Theory Of Molecules

Download Full-text

Quantum Theory of Molecules and Solids. Volume 1. Electronic Structure of Molecules.

Journal of the American Chemical Society ◽

10.1021/ja00900a057 ◽

1963 ◽

Vol 85 (17) ◽

pp. 2686-2686

Author(s):

C. A. Coulson

Keyword(s):

Electronic Structure ◽

Quantum Theory ◽

Structure Of Molecules ◽

Quantum Theory Of Molecules

Download Full-text

Quantum Theory of Molecules and Solids. Volume 1–Electronic Structure of Molecules

Physics Bulletin ◽

10.1088/0031-9112/14/11/006 ◽

1963 ◽

Vol 14 (11) ◽

pp. 305-305

Author(s):

M J Seaton

Keyword(s):

Electronic Structure ◽

Quantum Theory ◽

Structure Of Molecules ◽

Quantum Theory Of Molecules

Download Full-text

Quantum Theory of Electronic Structure of Molecules

Annual Review of Physical Chemistry ◽

10.1146/annurev.pc.09.100158.001333 ◽

1958 ◽

Vol 9 (1) ◽

pp. 245-285 ◽

Author(s):

M Kotani ◽

Y Mizuno ◽

K Kayama ◽

H Yoshizumi

Keyword(s):

Electronic Structure ◽

Quantum Theory ◽

Structure Of Molecules

Download Full-text

Quantum theory of molecules and solids. Volume 1, electronic structure of molecules (Slater, John C.)

Journal of Chemical Education ◽

10.1021/ed040p615.2 ◽

1963 ◽

Vol 40 (11) ◽

pp. 615

Author(s):

Michael J. S. Dewar

Keyword(s):

Electronic Structure ◽

Quantum Theory ◽

Structure Of Molecules ◽

Quantum Theory Of Molecules

Download Full-text

Molybdenum disulfide monolayer electronic structure information as explored using density functional theory and quantum theory of atoms in molecules

Applied Surface Science ◽

10.1016/j.apsusc.2021.149545 ◽

2021 ◽

pp. 149545

Author(s):

Nicholas Dimakis ◽

Om Vadodaria ◽

Korinna Ruiz ◽

Sanju Gupta

Keyword(s):

Density Functional Theory ◽

Electronic Structure ◽

Quantum Theory ◽

Molybdenum Disulfide ◽

Density Functional ◽

Atoms In Molecules ◽

Functional Theory ◽

Structure Information

Download Full-text

Electronic Structure of Molecules, Surfaces, and Molecules on Surfaces with the Local Modified Becke–Johnson Exchange–Correlation Potential

Journal of Chemical Theory and Computation ◽

10.1021/acs.jctc.1c00255 ◽

2021 ◽

Author(s):

Tomáš Rauch ◽

Miguel A. L. Marques ◽

Silvana Botti

Keyword(s):

Electronic Structure ◽

Exchange Correlation ◽

Exchange Correlation Potential ◽

Structure Of Molecules ◽

Correlation Potential

Download Full-text

Study of the Electronic Structure of Molecules. XIII. Bond Energy Analysis for the Ethane Molecule

The Journal of Chemical Physics ◽

10.1063/1.1674872 ◽

1971 ◽

Vol 54 (2) ◽

pp. 521-529 ◽

Author(s):

E. Clementi ◽

W. von Niessen

Keyword(s):

Electronic Structure ◽

Bond Energy ◽

Energy Analysis ◽

Structure Of Molecules ◽

Ethane Molecule

Download Full-text

Theoretical investigation of the electron-vibrational spectra and the electronic structure of molecules of phenylacetylene and benzonitrile in the excited electronic state B1

Theoretical and Experimental Chemistry ◽

10.1007/bf00520377 ◽

1978 ◽

Vol 13 (3) ◽

pp. 294-298

Author(s):

L. S. Kostyuchenko ◽

L. M. Sverdlov ◽

A. Yu. Slepukhin

Keyword(s):

Electronic Structure ◽

Electronic State ◽

Theoretical Investigation ◽

Vibrational Spectra ◽

Excited Electronic State ◽

Structure Of Molecules

Download Full-text

Electronic Structure of Molecules, Clusters and Surfaces Using Ab Initio Relativistic Effective Core and Core/Valence Polarization Potentials

Relativistic and Electron Correlation Effects in Molecules and Solids - NATO ASI Series ◽

10.1007/978-1-4899-1340-1_4 ◽

1994 ◽

pp. 71-103

Author(s):

W. C. Ermler ◽

M. M. Marino

Keyword(s):

Electronic Structure ◽

Ab Initio ◽

Structure Of Molecules

Download Full-text