Skip to main page content
U.S. flag

An official website of the United States government

Dot gov

The .gov means it’s official.
Federal government websites often end in .gov or .mil. Before sharing sensitive information, make sure you’re on a federal government site.

Https

The site is secure.
The https:// ensures that you are connecting to the official website and that any information you provide is encrypted and transmitted securely.

Access keys NCBI Homepage MyNCBI Homepage Main Content Main Navigation

Search Page

Filters

My NCBI Filters

Results by year

Table representation of search results timeline featuring number of search results per year.

Year Number of Results
1996 1
1999 1
2001 1
2002 4
2003 7
2004 8
2005 30
2006 28
2007 29
2008 41
2009 33
2010 24
2011 32
2012 40
2013 31
2014 30
2015 33
2016 37
2017 42
2018 37
2019 28
2020 37
2021 24
2022 27
2023 24
2024 9

Text availability

Article attribute

Article type

Publication date

Search Results

603 results

Results by year

Filters applied: . Clear all
Page 1
Diabatic States of Molecules.
Shu Y, Varga Z, Kanchanakungwankul S, Zhang L, Truhlar DG. Shu Y, et al. Among authors: truhlar dg. J Phys Chem A. 2022 Feb 24;126(7):992-1018. doi: 10.1021/acs.jpca.1c10583. Epub 2022 Feb 9. J Phys Chem A. 2022. PMID: 35138102
Multiconfiguration Pair-Density Functional Theory.
Sharma P, Bao JJ, Truhlar DG, Gagliardi L. Sharma P, et al. Among authors: truhlar dg. Annu Rev Phys Chem. 2021 Apr 20;72:541-564. doi: 10.1146/annurev-physchem-090419-043839. Annu Rev Phys Chem. 2021. PMID: 33878898
Multiconfiguration Density-Coherence Functional Theory.
Zhang D, Hermes MR, Gagliardi L, Truhlar DG. Zhang D, et al. Among authors: truhlar dg. J Chem Theory Comput. 2021 May 11;17(5):2775-2782. doi: 10.1021/acs.jctc.0c01346. Epub 2021 Apr 5. J Chem Theory Comput. 2021. PMID: 33818081
Exact-Two-Component Multiconfiguration Pair-Density Functional Theory.
Sharma P, Jenkins AJ, Scalmani G, Frisch MJ, Truhlar DG, Gagliardi L, Li X. Sharma P, et al. Among authors: truhlar dg. J Chem Theory Comput. 2022 May 10;18(5):2947-2954. doi: 10.1021/acs.jctc.2c00062. Epub 2022 Apr 6. J Chem Theory Comput. 2022. PMID: 35384665
Linearized Pair-Density Functional Theory.
Hennefarth MR, Hermes MR, Truhlar DG, Gagliardi L. Hennefarth MR, et al. Among authors: truhlar dg. J Chem Theory Comput. 2023 Jun 13;19(11):3172-3183. doi: 10.1021/acs.jctc.3c00207. Epub 2023 May 19. J Chem Theory Comput. 2023. PMID: 37207365
Multi-state pair-density functional theory.
Bao JJ , Zhou C , Varga Z , Kanchanakungwankul S , Gagliardi L , Truhlar DG . Bao JJ , et al. Among authors: truhlar dg. Faraday Discuss. 2020 Dec 4;224(0):348-372. doi: 10.1039/d0fd00037j. Faraday Discuss. 2020. PMID: 32940325
Diabatization by Machine Intelligence.
Shu Y, Truhlar DG. Shu Y, et al. Among authors: truhlar dg. J Chem Theory Comput. 2020 Oct 13;16(10):6456-6464. doi: 10.1021/acs.jctc.0c00623. Epub 2020 Sep 21. J Chem Theory Comput. 2020. PMID: 32886513
Permutationally Restrained Diabatization by Machine Intelligence.
Shu Y, Varga Z, Sampaio de Oliveira-Filho AG, Truhlar DG. Shu Y, et al. Among authors: truhlar dg. J Chem Theory Comput. 2021 Feb 9;17(2):1106-1116. doi: 10.1021/acs.jctc.0c01110. Epub 2021 Jan 6. J Chem Theory Comput. 2021. PMID: 33405927
The importance of ensemble averaging in enzyme kinetics.
Masgrau L, Truhlar DG. Masgrau L, et al. Among authors: truhlar dg. Acc Chem Res. 2015 Feb 17;48(2):431-8. doi: 10.1021/ar500319e. Epub 2014 Dec 24. Acc Chem Res. 2015. PMID: 25539028 Free PMC article. Review.
603 results