Friesner RA - Search Results

1

Highly efficient implementation of analytic nonadiabatic derivative couplings within the pseudospectral method.

Cao Y, Halls MD, Friesner RA. Cao Y, et al. Among authors: friesner ra. J Chem Phys. 2024 Feb 28;160(8):084106. doi: 10.1063/5.0188277. J Chem Phys. 2024. PMID: 38385510

2

Development of a polarizable force field for proteins via ab initio quantum chemistry: first generation model and gas phase tests.

Kaminski GA, Stern HA, Berne BJ, Friesner RA, Cao YX, Murphy RB, Zhou R, Halgren TA. Kaminski GA, et al. Among authors: friesner ra. J Comput Chem. 2002 Dec;23(16):1515-31. doi: 10.1002/jcc.10125. J Comput Chem. 2002. PMID: 12395421 Free PMC article.

3

Molecular (hyper)polarizabilities computed by pseudospectral methods.

Cao Y, Friesner RA. Cao Y, et al. Among authors: friesner ra. J Chem Phys. 2005 Mar 8;122(10):104102. doi: 10.1063/1.1855881. J Chem Phys. 2005. PMID: 15836304

4

Nuclear-magnetic-resonance shielding constants calculated by pseudospectral methods.

Cao Y, Beachy MD, Braden DA, Morrill L, Ringnalda MN, Friesner RA. Cao Y, et al. Among authors: friesner ra. J Chem Phys. 2005 Jun 8;122(22):224116. doi: 10.1063/1.1924598. J Chem Phys. 2005. PMID: 15974660

5

Integrated Modeling Program, Applied Chemical Theory (IMPACT).

Banks JL, Beard HS, Cao Y, Cho AE, Damm W, Farid R, Felts AK, Halgren TA, Mainz DT, Maple JR, Murphy R, Philipp DM, Repasky MP, Zhang LY, Berne BJ, Friesner RA, Gallicchio E, Levy RM. Banks JL, et al. Among authors: friesner ra. J Comput Chem. 2005 Dec;26(16):1752-80. doi: 10.1002/jcc.20292. J Comput Chem. 2005. PMID: 16211539 Free PMC article. Review.

6

A localized orbital analysis of the thermochemical errors in hybrid density functional theory: achieving chemical accuracy via a simple empirical correction scheme.

Friesner RA, Knoll EH, Cao Y. Friesner RA, et al. J Chem Phys. 2006 Sep 28;125(12):124107. doi: 10.1063/1.2263795. J Chem Phys. 2006. PMID: 17014166

7

Pseudospectral time-dependent density functional theory.

Ko C, Malick DK, Braden DA, Friesner RA, Martínez TJ. Ko C, et al. Among authors: friesner ra. J Chem Phys. 2008 Mar 14;128(10):104103. doi: 10.1063/1.2834222. J Chem Phys. 2008. PMID: 18345873

8

Density functional localized orbital corrections for transition metals.

Rinaldo D, Tian L, Harvey JN, Friesner RA. Rinaldo D, et al. Among authors: friesner ra. J Chem Phys. 2008 Oct 28;129(16):164108. doi: 10.1063/1.2974101. J Chem Phys. 2008. PMID: 19045248 Free PMC article.

9

Localized orbital corrections applied to thermochemical errors in density functional theory: The role of basis set and application to molecular reactions.

Goldfeld DA, Bochevarov AD, Friesner RA. Goldfeld DA, et al. Among authors: friesner ra. J Chem Phys. 2008 Dec 7;129(21):214105. doi: 10.1063/1.3008062. J Chem Phys. 2008. PMID: 19063542 Free PMC article.

10

The VSGB 2.0 model: a next generation energy model for high resolution protein structure modeling.

Li J, Abel R, Zhu K, Cao Y, Zhao S, Friesner RA. Li J, et al. Among authors: friesner ra. Proteins. 2011 Oct;79(10):2794-812. doi: 10.1002/prot.23106. Epub 2011 Aug 22. Proteins. 2011. PMID: 21905107 Free PMC article.

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