Chernyak V - Search Results

1

Nonadiabatic excited-state molecular dynamics: numerical tests of convergence and parameters.

Nelson T, Fernandez-Alberti S, Chernyak V, Roitberg AE, Tretiak S. Nelson T, et al. Among authors: chernyak v. J Chem Phys. 2012 Feb 7;136(5):054108. doi: 10.1063/1.3680565. J Chem Phys. 2012. PMID: 22320726

2

Effective tight-binding models for excitons in branched conjugated molecules.

Li H, Malinin SV, Tretiak S, Chernyak VY. Li H, et al. Among authors: chernyak vy. J Chem Phys. 2013 Aug 14;139(6):064109. doi: 10.1063/1.4818156. J Chem Phys. 2013. PMID: 23947845

3

Counting the number of excited states in organic semiconductor systems using topology.

Catanzaro MJ, Shi T, Tretiak S, Chernyak VY. Catanzaro MJ, et al. J Chem Phys. 2015 Feb 28;142(8):084113. doi: 10.1063/1.4908560. J Chem Phys. 2015. PMID: 25725718

4

Nonadiabatic excited-state molecular dynamics modeling of photoinduced dynamics in conjugated molecules.

Nelson T, Fernandez-Alberti S, Chernyak V, Roitberg AE, Tretiak S. Nelson T, et al. Among authors: chernyak v. J Phys Chem B. 2011 May 12;115(18):5402-14. doi: 10.1021/jp109522g. Epub 2011 Jan 10. J Phys Chem B. 2011. PMID: 21218841

5

Excitonic effects in a time-dependent density functional theory.

Igumenshchev KI, Tretiak S, Chernyak VY. Igumenshchev KI, et al. J Chem Phys. 2007 Sep 21;127(11):114902. doi: 10.1063/1.2773727. J Chem Phys. 2007. PMID: 17887875

6

Exciton scattering approach for branched conjugated molecules and complexes. III. Applications.

Wu C, Malinin SV, Tretiak S, Chernyak VY. Wu C, et al. Among authors: chernyak vy. J Chem Phys. 2008 Nov 7;129(17):174113. doi: 10.1063/1.3005649. J Chem Phys. 2008. PMID: 19045339

7

Exciton scattering approach for branched conjugated molecules and complexes. IV. Transition dipoles and optical spectra.

Li H, Malinin SV, Tretiak S, Chernyak VY. Li H, et al. Among authors: chernyak vy. J Chem Phys. 2010 Mar 28;132(12):124103. doi: 10.1063/1.3366521. J Chem Phys. 2010. PMID: 20370110

8

How Geometric Distortions Scatter Electronic Excitations in Conjugated Macromolecules.

Shi T, Li H, Tretiak S, Chernyak VY. Shi T, et al. J Phys Chem Lett. 2014 Nov 20;5(22):3946-52. doi: 10.1021/jz501912d. Epub 2014 Oct 29. J Phys Chem Lett. 2014. PMID: 26276475

9

Exciton scattering approach for branched conjugated molecules and complexes. I. Formalism.

Wu C, Malinin SV, Tretiak S, Chernyak VY. Wu C, et al. Among authors: chernyak vy. J Chem Phys. 2008 Nov 7;129(17):174111. doi: 10.1063/1.3005647. J Chem Phys. 2008. PMID: 19045337

10

Exciton scattering approach for branched conjugated molecules and complexes. II. Extraction of the exciton scattering parameters from quantum-chemical calculations.

Wu C, Malinin SV, Tretiak S, Chernyak VY. Wu C, et al. Among authors: chernyak vy. J Chem Phys. 2008 Nov 7;129(17):174112. doi: 10.1063/1.3005648. J Chem Phys. 2008. PMID: 19045338

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