Wang LP - Search Results

1

What can density functional theory tell us about artificial catalytic water splitting?

Mavros MG, Tsuchimochi T, Kowalczyk T, McIsaac A, Wang LP, Voorhis TV. Mavros MG, et al. Among authors: wang lp. Inorg Chem. 2014 Jul 7;53(13):6386-97. doi: 10.1021/ic5002557. Epub 2014 Apr 2. Inorg Chem. 2014. PMID: 24694041

2

The diabatic picture of electron transfer, reaction barriers, and molecular dynamics.

Van Voorhis T, Kowalczyk T, Kaduk B, Wang LP, Cheng CL, Wu Q. Van Voorhis T, et al. Among authors: wang lp. Annu Rev Phys Chem. 2010;61:149-70. doi: 10.1146/annurev.physchem.012809.103324. Annu Rev Phys Chem. 2010. PMID: 20055670

3

Acid-base mechanism for ruthenium water oxidation catalysts.

Wang LP, Wu Q, Van Voorhis T. Wang LP, et al. Inorg Chem. 2010 May 17;49(10):4543-53. doi: 10.1021/ic100075k. Inorg Chem. 2010. PMID: 20394383

4

Simulation of solution phase electron transfer in a compact donor-acceptor dyad.

Kowalczyk T, Wang LP, Van Voorhis T. Kowalczyk T, et al. Among authors: wang lp. J Phys Chem B. 2011 Oct 27;115(42):12135-44. doi: 10.1021/jp204962k. Epub 2011 Sep 30. J Phys Chem B. 2011. PMID: 21961889

5

Two P, Ten P, White P, Red P: Mechanistic Exploration of the Oligomerization of Red Phosphorus from Diphosphorus with the Ab Initio Nanoreactor.

Yoshino ND, Wang LP. Yoshino ND, et al. Among authors: wang lp. Inorg Chem. 2024 Oct 14;63(41):19074-19086. doi: 10.1021/acs.inorgchem.4c02299. Epub 2024 Oct 1. Inorg Chem. 2024. PMID: 39352782 Free PMC article.

6

Calculations of the electric fields in liquid solutions.

Fried SD, Wang LP, Boxer SG, Ren P, Pande VS. Fried SD, et al. Among authors: wang lp. J Phys Chem B. 2013 Dec 19;117(50):16236-48. doi: 10.1021/jp410720y. Epub 2013 Dec 10. J Phys Chem B. 2013. PMID: 24304155 Free PMC article.

7

Why many semiempirical molecular orbital theories fail for liquid water and how to fix them.

Welborn M, Chen J, Wang LP, Van Voorhis T. Welborn M, et al. Among authors: wang lp. J Comput Chem. 2015 May 5;36(12):934-9. doi: 10.1002/jcc.23887. Epub 2015 Mar 12. J Comput Chem. 2015. PMID: 25766721

8

Building Force Fields: An Automatic, Systematic, and Reproducible Approach.

Wang LP, Martinez TJ, Pande VS. Wang LP, et al. J Phys Chem Lett. 2014 Jun 5;5(11):1885-91. doi: 10.1021/jz500737m. Epub 2014 May 16. J Phys Chem Lett. 2014. PMID: 26273869 Free PMC article.

9

A Polarizable QM/MM Explicit Solvent Model for Computational Electrochemistry in Water.

Wang LP, Van Voorhis T. Wang LP, et al. J Chem Theory Comput. 2012 Feb 14;8(2):610-7. doi: 10.1021/ct200340x. Epub 2012 Jan 24. J Chem Theory Comput. 2012. PMID: 26596609

10

Systematic Optimization of Water Models Using Liquid/Vapor Surface Tension Data.

Qiu Y, Nerenberg PS, Head-Gordon T, Wang LP. Qiu Y, et al. Among authors: wang lp. J Phys Chem B. 2019 Aug 15;123(32):7061-7073. doi: 10.1021/acs.jpcb.9b05455. Epub 2019 Jul 31. J Phys Chem B. 2019. PMID: 31314516

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

956 results

Search Page

Filters