Frisch MJ - Search Results

1

Time-Dependent Complete Active Space Embedded in a Polarizable Force Field.

Liu H, Jenkins AJ, Wildman A, Frisch MJ, Lipparini F, Mennucci B, Li X. Liu H, et al. Among authors: frisch mj. J Chem Theory Comput. 2019 Mar 12;15(3):1633-1641. doi: 10.1021/acs.jctc.8b01152. Epub 2019 Feb 12. J Chem Theory Comput. 2019. PMID: 30689381

2

Ab initio Ehrenfest dynamics.

Li X, Tully JC, Schlegel HB, Frisch MJ. Li X, et al. Among authors: frisch mj. J Chem Phys. 2005 Aug 22;123(8):084106. doi: 10.1063/1.2008258. J Chem Phys. 2005. PMID: 16164281

3

Geometries and properties of excited states in the gas phase and in solution: theory and application of a time-dependent density functional theory polarizable continuum model.

Scalmani G, Frisch MJ, Mennucci B, Tomasi J, Cammi R, Barone V. Scalmani G, et al. Among authors: frisch mj. J Chem Phys. 2006 Mar 7;124(9):94107. doi: 10.1063/1.2173258. J Chem Phys. 2006. PMID: 16526845

4

A state-specific polarizable continuum model time dependent density functional theory method for excited state calculations in solution.

Improta R, Barone V, Scalmani G, Frisch MJ. Improta R, et al. Among authors: frisch mj. J Chem Phys. 2006 Aug 7;125(5):054103. doi: 10.1063/1.2222364. J Chem Phys. 2006. PMID: 16942199

5

Toward effective and reliable fluorescence energies in solution by a new state specific polarizable continuum model time dependent density functional theory approach.

Improta R, Scalmani G, Frisch MJ, Barone V. Improta R, et al. Among authors: frisch mj. J Chem Phys. 2007 Aug 21;127(7):074504. doi: 10.1063/1.2757168. J Chem Phys. 2007. PMID: 17718617

6

How the environment controls absorption and fluorescence spectra of PRODAN: a quantum-mechanical study in homogeneous and heterogeneous media.

Mennucci B, Caricato M, Ingrosso F, Cappelli C, Cammi R, Tomasi J, Scalmani G, Frisch MJ. Mennucci B, et al. Among authors: frisch mj. J Phys Chem B. 2008 Jan 17;112(2):414-23. doi: 10.1021/jp076138m. Epub 2007 Nov 16. J Phys Chem B. 2008. PMID: 18004838

7

Electronic excitation energies in solution at equation of motion CCSD level within a state specific polarizable continuum model approach.

Caricato M, Mennucci B, Scalmani G, Trucks GW, Frisch MJ. Caricato M, et al. Among authors: frisch mj. J Chem Phys. 2010 Feb 28;132(8):084102. doi: 10.1063/1.3314221. J Chem Phys. 2010. PMID: 20192285

8

A variational formulation of the polarizable continuum model.

Lipparini F, Scalmani G, Mennucci B, Cancès E, Caricato M, Frisch MJ. Lipparini F, et al. Among authors: frisch mj. J Chem Phys. 2010 Jul 7;133(1):014106. doi: 10.1063/1.3454683. J Chem Phys. 2010. PMID: 20614958

9

Brueckner doubles coupled cluster method with the polarizable continuum model of solvation.

Caricato M, Scalmani G, Frisch MJ. Caricato M, et al. Among authors: frisch mj. J Chem Phys. 2011 Jun 28;134(24):244113. doi: 10.1063/1.3604560. J Chem Phys. 2011. PMID: 21721618

10

Assessment of low-scaling approximations to the equation of motion coupled-cluster singles and doubles equations.

Goings JJ, Caricato M, Frisch MJ, Li X. Goings JJ, et al. Among authors: frisch mj. J Chem Phys. 2014 Oct 28;141(16):164116. doi: 10.1063/1.4898709. J Chem Phys. 2014. PMID: 25362281

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