Khait YG - Search Results

1

Theoretical study of electronic states of N22+in an intense radiation field.

Jiang W, Khait YG, Hoffmann MR. Jiang W, et al. Among authors: khait yg. J Chem Phys. 2007 Oct 28;127(16):164308. doi: 10.1063/1.2790439. J Chem Phys. 2007. PMID: 17979339

2

Multireference spin-adapted variant of density functional theory.

Khait YG, Hoffmann MR. Khait YG, et al. J Chem Phys. 2004 Mar 15;120(11):5005-16. doi: 10.1063/1.1646352. J Chem Phys. 2004. PMID: 15267366

3

Multireference configuration interaction based electronic Floquet states for molecules in an intense radiation field: theory and application to Li(2)+.

Khait YG, Azenkeng A, Wang H, Dudley TJ, Hoffmann MR. Khait YG, et al. J Chem Phys. 2005 Mar 1;122(9):094111. doi: 10.1063/1.1856452. J Chem Phys. 2005. PMID: 15836116

4

Embedding theory for excited states.

Khait YG, Hoffmann MR. Khait YG, et al. J Chem Phys. 2010 Jul 28;133(4):044107. doi: 10.1063/1.3460594. J Chem Phys. 2010. PMID: 20687633

5

Theoretical study of the photodissociation of Li(2)+ in one-color intense laser fields.

Li Y, Jiang W, Khait YG, Hoffmann MR. Li Y, et al. Among authors: khait yg. J Chem Phys. 2011 May 7;134(17):174108. doi: 10.1063/1.3585645. J Chem Phys. 2011. PMID: 21548674

6

GVVPT2 energy gradient using a Lagrangian formulation.

Theis D, Khait YG, Hoffmann MR. Theis D, et al. Among authors: khait yg. J Chem Phys. 2011 Jul 28;135(4):044117. doi: 10.1063/1.3611049. J Chem Phys. 2011. PMID: 21806100

7

Configuration-driven unitary group approach for generalized Van Vleck variant multireference perturbation theory.

Jiang W, Khait YG, Hoffmann MR. Jiang W, et al. Among authors: khait yg. J Phys Chem A. 2009 Apr 23;113(16):4374-80. doi: 10.1021/jp811082p. J Phys Chem A. 2009. PMID: 19290603

8

Multireference generalized Van Vleck perturbation theory (GVVPT2) study of the NCO + HCNO reaction: insight into intermediates.

Mbote YE, Khait YG, Hardel C, Hoffmann MR. Mbote YE, et al. Among authors: khait yg. J Phys Chem A. 2010 Aug 26;114(33):8831-6. doi: 10.1021/jp102051p. J Phys Chem A. 2010. PMID: 20536213

9

Ground and low-lying excited electronic states of [3,3'] bidiazirinylidene (C2N4).

Mokambe RM, Khait YG, Hoffmann MR. Mokambe RM, et al. Among authors: khait yg. J Phys Chem A. 2010 Aug 12;114(31):8119-25. doi: 10.1021/jp100457e. J Phys Chem A. 2010. PMID: 20684585

10

GVVPT2 multireference perturbation theory description of diatomic scandium, chromium, and manganese.

Tamukong PK, Theis D, Khait YG, Hoffmann MR. Tamukong PK, et al. Among authors: khait yg. J Phys Chem A. 2012 May 10;116(18):4590-601. doi: 10.1021/jp300401u. Epub 2012 May 1. J Phys Chem A. 2012. PMID: 22512304

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