Dynamical Electron Correlation and the Chemical Bond. IV. Covalent Bonds in A 2 Molecules (A = N-As and F-Br).

Autor: Dunning TH Jr; Department of Chemistry, University of Washington, Seattle, Washington 98195, United States., Xu LT; Department of Chemistry, University of Washington, Seattle, Washington 98195, United States.

Publikováno v: The journal of physical chemistry. A [J Phys Chem A] 2024 Aug 08; Vol. 128 (31), pp. 6482-6493. Date of Electronic Publication: 2024 Jul 27.

The nature of the chemical bond.

Autor: Dunning TH Jr; Department of Chemistry, University of Washington, Seattle, Washington 98195, USA., Gordon MS; Department of Chemistry and Ames Laboratory, Iowa State University, Ames, Iowa 50011, USA., Xantheas SS; Department of Chemistry, University of Washington, Seattle, Washington 98195, USA.

Publikováno v: The Journal of chemical physics [J Chem Phys] 2023 Apr 07; Vol. 158 (13), pp. 130401.

Dynamical electron correlation and the chemical bond. I. Covalent bonds in AH and AF (A = B-F).

Autor: Xu LT; Department of Chemistry, University of Washington, Seattle, Washington 98195, USA., Dunning TH Jr; Department of Chemistry, University of Washington, Seattle, Washington 98195, USA.

Publikováno v: The Journal of chemical physics [J Chem Phys] 2022 Jul 07; Vol. 157 (1), pp. 014107.

New Insights into the Remarkable Difference between CH 5 ^- and SiH 5 ^.

Autor: Dunning TH Jr; Department of Chemistry, University of Washington, Seattle, Washington 98195-1700, United States., Xu LT; Department of Chemistry, University of Washington, Seattle, Washington 98195-1700, United States., Thompson JVK; Department of Chemistry, University of Washington, Seattle, Washington 98195-1700, United States.

Publikováno v: The journal of physical chemistry. A [J Phys Chem A] 2021 Sep 02; Vol. 125 (34), pp. 7414-7424. Date of Electronic Publication: 2021 Aug 23.

Spin-Coupled Generalized Valence Bond Theory: New Perspect i ves on the Electronic Structure of Molecules and Chemical Bonds.

Autor: Dunning TH Jr; Department of Chemistry, University of Washington, Seattle, Washington 98195-1700, United States., Xu LT; Department of Chemistry, University of Washington, Seattle, Washington 98195-1700, United States., Cooper DL; Department of Chemistry, University of Liverpool, Liverpool, L69 7ZD, U.K., Karadakov PB; Department of Chemistry, University of York, York, YO10 5DD, U.K.

Publikováno v: The journal of physical chemistry. A [J Phys Chem A] 2021 Mar 18; Vol. 125 (10), pp. 2021-2050. Date of Electronic Publication: 2021 Mar 06.