Skip to main page content
Access keys NCBI Homepage MyNCBI Homepage Main Content Main Navigation

Search Page

My NCBI Filters
Results by year

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

Year Number of Results
1992 1
1995 1
1996 1
1998 1
2000 1
2001 2
2002 1
2003 3
2004 8
2005 20
2006 16
2007 11
2008 16
2009 19
2010 10
2011 15
2012 11
2013 15
2014 22
2015 25
2016 28
2017 24
2018 25
2019 28
2020 23
Text availability
Article attribute
Article type
Publication date

Search Results

314 results
Results by year
Filters applied: . Clear all
Page 1
Advanced Potential Energy Surfaces for Molecular Simulation.
Albaugh A, Boateng HA, Bradshaw RT, Demerdash ON, Dziedzic J, Mao Y, Margul DT, Swails J, Zeng Q, Case DA, Eastman P, Wang LP, Essex JW, Head-Gordon M, Pande VS, Ponder JW, Shao Y, Skylaris CK, Todorov IT, Tuckerman ME, Head-Gordon T. Albaugh A, et al. Among authors: head gordon m. J Phys Chem B. 2016 Sep 22;120(37):9811-32. doi: 10.1021/acs.jpcb.6b06414. J Phys Chem B. 2016. PMID: 27513316 Free article. Review.
Understanding Brønsted-Acid Catalyzed Monomolecular Reactions of Alkanes in Zeolite Pores by Combining Insights from Experiment and Theory.
Van der Mynsbrugge J, Janda A, Lin LC, Van Speybroeck V, Head-Gordon M, Bell AT. Van der Mynsbrugge J, et al. Among authors: head gordon m. Chemphyschem. 2018 Feb 19;19(4):341-358. doi: 10.1002/cphc.201701084. Epub 2018 Jan 18. Chemphyschem. 2018. PMID: 29239509 Free article. Review.
Resonance-stabilized hydrocarbon-radical chain reactions may explain soot inception and growth.
Johansson KO, Head-Gordon MP, Schrader PE, Wilson KR, Michelsen HA. Johansson KO, et al. Among authors: head gordon mp. Science. 2018 Sep 7;361(6406):997-1000. doi: 10.1126/science.aat3417. Science. 2018. PMID: 30190399
Energy decomposition analysis for exciplexes using absolutely localized molecular orbitals.
Ge Q, Mao Y, Head-Gordon M. Ge Q, et al. Among authors: head gordon m. J Chem Phys. 2018 Feb 14;148(6):064105. doi: 10.1063/1.5017510. J Chem Phys. 2018. PMID: 29448791 Free article.
Identification of the strong Brønsted acid site in a metal-organic framework solid acid catalyst.
Trickett CA, Osborn Popp TM, Su J, Yan C, Weisberg J, Huq A, Urban P, Jiang J, Kalmutzki MJ, Liu Q, Baek J, Head-Gordon MP, Somorjai GA, Reimer JA, Yaghi OM. Trickett CA, et al. Among authors: head gordon mp. Nat Chem. 2019 Feb;11(2):170-176. doi: 10.1038/s41557-018-0171-z. Epub 2018 Nov 19. Nat Chem. 2019. PMID: 30455431 Free article.
Generalized Unitary Coupled Cluster Wave functions for Quantum Computation.
Lee J, Huggins WJ, Head-Gordon M, Whaley KB. Lee J, et al. Among authors: head gordon m. J Chem Theory Comput. 2019 Jan 8;15(1):311-324. doi: 10.1021/acs.jctc.8b01004. Epub 2018 Dec 17. J Chem Theory Comput. 2019. PMID: 30485748 Free article.
On the Computational Characterization of Charge-Transfer Effects in Noncovalently Bound Molecular Complexes.
Mao Y, Ge Q, Horn PR, Head-Gordon M. Mao Y, et al. Among authors: head gordon m. J Chem Theory Comput. 2018 May 8;14(5):2401-2417. doi: 10.1021/acs.jctc.7b01256. Epub 2018 Apr 12. J Chem Theory Comput. 2018. PMID: 29614855 Free article.
Energy decomposition analysis in an adiabatic picture.
Mao Y, Horn PR, Head-Gordon M. Mao Y, et al. Among authors: head gordon m. Phys Chem Chem Phys. 2017 Feb 22;19(8):5944-5958. doi: 10.1039/c6cp08039a. Phys Chem Chem Phys. 2017. PMID: 28176997
Finding Our Way in the Dark Proteome.
Bhowmick A, Brookes DH, Yost SR, Dyson HJ, Forman-Kay JD, Gunter D, Head-Gordon M, Hura GL, Pande VS, Wemmer DE, Wright PE, Head-Gordon T. Bhowmick A, et al. Among authors: head gordon m. J Am Chem Soc. 2016 Aug 10;138(31):9730-42. doi: 10.1021/jacs.6b06543. Epub 2016 Jul 19. J Am Chem Soc. 2016. PMID: 27387657 Free PMC article.
Unraveling substituent effects on frontier orbitals of conjugated molecules using an absolutely localized molecular orbital based analysis.
Mao Y, Head-Gordon M, Shao Y. Mao Y, et al. Among authors: head gordon m. Chem Sci. 2018 Sep 18;9(45):8598-8607. doi: 10.1039/c8sc02990c. eCollection 2018 Dec 7. Chem Sci. 2018. PMID: 30568785 Free PMC article.
314 results
Jump to page
Feedback