Frisch MJ - Search Results

1

Relativistic Two-Component Multireference Configuration Interaction Method with Tunable Correlation Space.

Hu H, Jenkins AJ, Liu H, Kasper JM, Frisch MJ, Li X. Hu H, et al. Among authors: frisch mj. J Chem Theory Comput. 2020 May 12;16(5):2975-2984. doi: 10.1021/acs.jctc.9b01290. Epub 2020 Apr 21. J Chem Theory Comput. 2020. PMID: 32275418

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

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

4

Ab initio non-relativistic spin dynamics.

Ding F, Goings JJ, Frisch MJ, Li X. Ding F, et al. Among authors: frisch mj. J Chem Phys. 2014 Dec 7;141(21):214111. doi: 10.1063/1.4902884. J Chem Phys. 2014. PMID: 25481133

5

Stability of the complex generalized Hartree-Fock equations.

Goings JJ, Ding F, Frisch MJ, Li X. Goings JJ, et al. Among authors: frisch mj. J Chem Phys. 2015 Apr 21;142(15):154109. doi: 10.1063/1.4918561. J Chem Phys. 2015. PMID: 25903868

6

Analytical Harmonic Vibrational Frequencies for the Green Fluorescent Protein Computed with ONIOM: Chromophore Mode Character and Its Response to Environment.

Thompson LM, Lasoroski A, Champion PM, Sage JT, Frisch MJ, van Thor JJ, Bearpark MJ. Thompson LM, et al. Among authors: frisch mj. J Chem Theory Comput. 2014 Feb 11;10(2):751-66. doi: 10.1021/ct400664p. J Chem Theory Comput. 2014. PMID: 26580050

7

Density of States Guided Møller-Plesset Perturbation Theory.

Lestrange PJ, Peng B, Ding F, Trucks GW, Frisch MJ, Li X. Lestrange PJ, et al. Among authors: frisch mj. J Chem Theory Comput. 2014 May 13;10(5):1910-4. doi: 10.1021/ct400765a. J Chem Theory Comput. 2014. PMID: 26580520

8

Computational Protocol for Modeling Thermochromic Molecular Crystals: Salicylidene Aniline As a Case Study.

Presti D, Labat F, Pedone A, Frisch MJ, Hratchian HP, Ciofini I, Menziani MC, Adamo C. Presti D, et al. Among authors: frisch mj. J Chem Theory Comput. 2014 Dec 9;10(12):5577-85. doi: 10.1021/ct500868s. J Chem Theory Comput. 2014. PMID: 26583240

9

A New Approach to Noncollinear Spin Density Functional Theory beyond the Local Density Approximation.

Scalmani G, Frisch MJ. Scalmani G, et al. Among authors: frisch mj. J Chem Theory Comput. 2012 Jul 10;8(7):2193-6. doi: 10.1021/ct300441z. Epub 2012 Jun 15. J Chem Theory Comput. 2012. PMID: 26588951

10

A Density Functional with Spherical Atom Dispersion Terms.

Austin A, Petersson GA, Frisch MJ, Dobek FJ, Scalmani G, Throssell K. Austin A, et al. Among authors: frisch mj. J Chem Theory Comput. 2012 Dec 11;8(12):4989-5007. doi: 10.1021/ct300778e. Epub 2012 Nov 5. J Chem Theory Comput. 2012. PMID: 26593191

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