Dunning TH Jr - Search Results

1

Dynamical electron correlation and the chemical bond. III. Covalent bonds in the A₂ molecules (A = C-F).

Dunning TH Jr, Xu LT. Dunning TH Jr, et al. Phys Chem Chem Phys. 2024 Oct 2;26(38):24809-24820. doi: 10.1039/d4cp01695e. Phys Chem Chem Phys. 2024. PMID: 39300949

2

Dynamical Electron Correlation and the Chemical Bond. IV. Covalent Bonds in A₂ Molecules (A = N-As and F-Br).

Dunning TH Jr, Xu LT. Dunning TH Jr, et al. J Phys Chem A. 2024 Aug 8;128(31):6482-6493. doi: 10.1021/acs.jpca.4c03816. Epub 2024 Jul 27. J Phys Chem A. 2024. PMID: 39066787

3

Electronic structure of Li_1,2,3 ^+,0,- and nature of the bonding in Li_2,3 ^+,0,.

Dunning TH Jr, Xu LT. Dunning TH Jr, et al. J Comput Chem. 2024 Mar 15;45(7):405-418. doi: 10.1002/jcc.27246. Epub 2023 Nov 15. J Comput Chem. 2024. PMID: 37966878

4

The nature of the chemical bond.

Dunning TH Jr, Gordon MS, Xantheas SS. Dunning TH Jr, et al. J Chem Phys. 2023 Apr 7;158(13):130401. doi: 10.1063/5.0148500. J Chem Phys. 2023. PMID: 37031137 No abstract available.

5

Dynamical electron correlation and the chemical bond. II. Recoupled pair bonds in the a⁴Σ^- states of CH and CF.

Dunning TH Jr, Xu LT. Dunning TH Jr, et al. J Chem Phys. 2022 Aug 28;157(8):084124. doi: 10.1063/5.0104693. J Chem Phys. 2022. PMID: 36049995

6

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

Xu LT, Dunning TH Jr. Xu LT, et al. Among authors: dunning th jr. J Chem Phys. 2022 Jul 7;157(1):014107. doi: 10.1063/5.0093414. J Chem Phys. 2022. PMID: 35803815

7

Correction to "Orbital Hybridization in Modern Valence Bond Wave Functions: Methane, Ethylene, and Acetylene".

Xu LT, Dunning TH Jr. Xu LT, et al. Among authors: dunning th jr. J Phys Chem A. 2021 Oct 14;125(40):9026. doi: 10.1021/acs.jpca.1c08386. Epub 2021 Oct 1. J Phys Chem A. 2021. PMID: 34596410 No abstract available.

8

New Insights into the Remarkable Difference between CH₅^- and SiH₅.

Dunning TH Jr, Xu LT, Thompson JVK. Dunning TH Jr, et al. J Phys Chem A. 2021 Sep 2;125(34):7414-7424. doi: 10.1021/acs.jpca.1c05357. Epub 2021 Aug 23. J Phys Chem A. 2021. PMID: 34424705

9

Nature of the Bonding in the Bifluoride Anion, FHF.

Dunning TH Jr, Xu LT. Dunning TH Jr, et al. J Phys Chem Lett. 2021 Aug 5;12(30):7293-7298. doi: 10.1021/acs.jpclett.1c02123. Epub 2021 Jul 28. J Phys Chem Lett. 2021. PMID: 34319112

10

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

Dunning TH Jr, Xu LT, Cooper DL, Karadakov PB. Dunning TH Jr, et al. J Phys Chem A. 2021 Mar 18;125(10):2021-2050. doi: 10.1021/acs.jpca.0c10472. Epub 2021 Mar 6. J Phys Chem A. 2021. PMID: 33677960

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