Glover WJ - Search Results

1

Machine learning the Hohenberg-Kohn map for molecular excited states.

Bai Y, Vogt-Maranto L, Tuckerman ME, Glover WJ. Bai Y, et al. Among authors: glover wj. Nat Commun. 2022 Nov 17;13(1):7044. doi: 10.1038/s41467-022-34436-w. Nat Commun. 2022. PMID: 36396634 Free PMC article.

2

Fragment Quantum Mechanical Method for Excited States of Proteins: Development and Application to the Green Fluorescent Protein.

Jin X, Glover WJ, He X. Jin X, et al. Among authors: glover wj. J Chem Theory Comput. 2020 Aug 11;16(8):5174-5188. doi: 10.1021/acs.jctc.9b00980. Epub 2020 Jul 10. J Chem Theory Comput. 2020. PMID: 32551640

3

Polarizable Embedding for Excited-State Reactions: Dynamically Weighted Polarizable QM/MM.

Hagras MA, Glover WJ. Hagras MA, et al. Among authors: glover wj. J Chem Theory Comput. 2018 Apr 10;14(4):2137-2144. doi: 10.1021/acs.jctc.8b00064. Epub 2018 Mar 28. J Chem Theory Comput. 2018. PMID: 29561617

4

Prediction of Excited-State Properties of Oligoacene Crystals Using Fragment-Based Quantum Mechanical Method.

Liu J, Sun H, Glover WJ, He X. Liu J, et al. Among authors: glover wj. J Phys Chem A. 2019 Jul 5;123(26):5407-5417. doi: 10.1021/acs.jpca.8b12552. Epub 2019 Jun 25. J Phys Chem A. 2019. PMID: 31187994

5

Diabatic Many-Body Expansion: Development and Application to Charge-Transfer Reactions.

Paz ASP, Glover WJ. Paz ASP, et al. Among authors: glover wj. J Chem Theory Comput. 2021 Mar 9;17(3):1497-1511. doi: 10.1021/acs.jctc.0c01231. Epub 2021 Feb 4. J Chem Theory Comput. 2021. PMID: 33538588

6

Conical Intersections in Solution with Polarizable Embedding: Integral-Exact Direct Reaction Field.

Liu X, Humeniuk A, Glover WJ. Liu X, et al. Among authors: glover wj. J Chem Theory Comput. 2022 Nov 8;18(11):6826-6839. doi: 10.1021/acs.jctc.2c00662. Epub 2022 Oct 17. J Chem Theory Comput. 2022. PMID: 36251342

7

Multistate, Polarizable QM/MM Embedding Scheme Based on the Direct Reaction Field Method: Solvatochromic Shifts, Analytical Gradients and Optimizations of Conical Intersections in Solution.

Humeniuk A, Glover WJ. Humeniuk A, et al. Among authors: glover wj. J Chem Theory Comput. 2024 Mar 12;20(5):2111-2126. doi: 10.1021/acs.jctc.3c01018. Epub 2024 Feb 8. J Chem Theory Comput. 2024. PMID: 38330903 Free PMC article.

8

Short-Range Electron Correlation Stabilizes Noncavity Solvation of the Hydrated Electron.

Glover WJ, Schwartz BJ. Glover WJ, et al. J Chem Theory Comput. 2016 Oct 11;12(10):5117-5131. doi: 10.1021/acs.jctc.6b00472. Epub 2016 Sep 9. J Chem Theory Comput. 2016. PMID: 27576177

9

Analytical gradients and derivative couplings for dynamically weighted complete active space self-consistent field.

Glover WJ, Paz ASP, Thongyod W, Punwong C. Glover WJ, et al. J Chem Phys. 2019 Nov 28;151(20):201101. doi: 10.1063/1.5130997. J Chem Phys. 2019. PMID: 31779339

10

Flexible boundary layer using exchange for embedding theories. I. Theory and implementation.

Shen Z, Glover WJ. Shen Z, et al. Among authors: glover wj. J Chem Phys. 2021 Dec 14;155(22):224112. doi: 10.1063/5.0067855. J Chem Phys. 2021. PMID: 34911322

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