DePrince AE 3rd - Search Results

1

The orientation dependence of cavity-modified chemistry.

Liebenthal MD, DePrince AE 3rd. Liebenthal MD, et al. Among authors: deprince ae 3rd. J Chem Phys. 2024 Aug 14;161(6):064109. doi: 10.1063/5.0216993. J Chem Phys. 2024. PMID: 39132792

2

Dirac-Coulomb-Breit Molecular Mean-Field Exact-Two-Component Relativistic Equation-of-Motion Coupled-Cluster Theory.

Zhang T, Banerjee S, Koulias LN, Valeev EF, DePrince AE 3rd, Li X. Zhang T, et al. Among authors: deprince ae 3rd. J Phys Chem A. 2024 May 2;128(17):3408-3418. doi: 10.1021/acs.jpca.3c08167. Epub 2024 Apr 23. J Phys Chem A. 2024. PMID: 38651293

3

Single Reference Treatment of Strongly Correlated H₄ and H₁₀ Isomers with Richardson-Gaudin States.

Johnson PA, DePrince AE 3rd. Johnson PA, et al. Among authors: deprince ae 3rd. J Chem Theory Comput. 2023 Nov 28;19(22):8129-8146. doi: 10.1021/acs.jctc.3c00807. Epub 2023 Nov 13. J Chem Theory Comput. 2023. PMID: 37955440

4

Data-Driven Refinement of Electronic Energies from Two-Electron Reduced-Density-Matrix Theory.

Jones GM, Li RR, DePrince AE 3rd, Vogiatzis KD. Jones GM, et al. Among authors: deprince ae 3rd. J Phys Chem Lett. 2023 Jul 20;14(28):6377-6385. doi: 10.1021/acs.jpclett.3c01382. Epub 2023 Jul 7. J Phys Chem Lett. 2023. PMID: 37418691

5

Assessing the Effects of Orbital Relaxation and the Coherent-State Transformation in Quantum Electrodynamics Density Functional and Coupled-Cluster Theories.

Liebenthal MD, Vu N, DePrince AE 3rd. Liebenthal MD, et al. Among authors: deprince ae 3rd. J Phys Chem A. 2023 Jun 22;127(24):5264-5275. doi: 10.1021/acs.jpca.3c01842. Epub 2023 Jun 8. J Phys Chem A. 2023. PMID: 37289181

6

Correction to "Enhanced Diastereocontrol via Strong Light-Matter Interactions in an Optical Cavity".

Vu N, McLeod GM, Hanson K, DePrince AE 3rd. Vu N, et al. Among authors: deprince ae 3rd. J Phys Chem A. 2023 Feb 9;127(5):1386. doi: 10.1021/acs.jpca.3c00330. Epub 2023 Jan 30. J Phys Chem A. 2023. PMID: 36715605 No abstract available.

7

Design and Synthesis of Kekulè and Non-Kekulè Diradicaloids via the Radical Periannulation Strategy: The Power of Seven Clar's Sextets.

Kuriakose F, Commodore M, Hu C, Fabiano CJ, Sen D, Li RR, Bisht S, Üngör Ö, Lin X, Strouse GF, DePrince AE 3rd, Lazenby RA, Mentink-Vigier F, Shatruk M, Alabugin IV. Kuriakose F, et al. Among authors: deprince ae 3rd. J Am Chem Soc. 2022 Dec 28;144(51):23448-23464. doi: 10.1021/jacs.2c09637. Epub 2022 Dec 14. J Am Chem Soc. 2022. PMID: 36516873

8

Enhanced Diastereocontrol via Strong Light-Matter Interactions in an Optical Cavity.

Vu N, McLeod GM, Hanson K, DePrince AE 3rd. Vu N, et al. Among authors: deprince ae 3rd. J Phys Chem A. 2022 Dec 15;126(49):9303-9312. doi: 10.1021/acs.jpca.2c07134. Epub 2022 Dec 6. J Phys Chem A. 2022. PMID: 36472381

9

Challenges for Variational Reduced-Density-Matrix Theory: Total Angular Momentum Constraints.

Li RR, Rubin NC, DePrince AE 3rd. Li RR, et al. Among authors: deprince ae 3rd. J Chem Theory Comput. 2022 Oct 11;18(10):5966-5977. doi: 10.1021/acs.jctc.2c00402. Epub 2022 Sep 23. J Chem Theory Comput. 2022. PMID: 36150206

10

Equation-of-motion cavity quantum electrodynamics coupled-cluster theory for electron attachment.

Liebenthal MD, Vu N, DePrince AE 3rd. Liebenthal MD, et al. Among authors: deprince ae 3rd. J Chem Phys. 2022 Feb 7;156(5):054105. doi: 10.1063/5.0078795. J Chem Phys. 2022. PMID: 35135288

Save citations to file

Email citations

Send citations to clipboard

Add to Collections

Add to My Bibliography

Create a file for external citation management software

Your saved search

Your RSS Feed

My Custom Filters

Publication date

Text availability

Article attribute

Article type

Article Language

Species

Sex

Age

Other

53 results

Search Page

Filters