Hoffmann MR - Search Results

1

Exploring the biointerfaces: ab initio investigation of nano-montmorillonite clay, and its interaction with unnatural amino acids.

Fernando A, Khan D, Hoffmann MR, Çakır D. Fernando A, et al. Among authors: hoffmann mr. Phys Chem Chem Phys. 2023 Nov 8;25(43):29624-29632. doi: 10.1039/d3cp02944a. Phys Chem Chem Phys. 2023. PMID: 37881012

2

Potential-Energy Curves for the Ground and Several Electronic States of NdO and NdS.

Sepehri A, Azenkeng A, Hoffmann MR. Sepehri A, et al. Among authors: hoffmann mr. J Phys Chem A. 2024 Apr 25;128(16):3137-3148. doi: 10.1021/acs.jpca.4c00694. Epub 2024 Apr 10. J Phys Chem A. 2024. PMID: 38597657 Free PMC article.

3

Multireference spin-adapted variant of density functional theory.

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

4

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. Among authors: hoffmann mr. J Chem Phys. 2005 Mar 1;122(9):094111. doi: 10.1063/1.1856452. J Chem Phys. 2005. PMID: 15836116

5

Theoretical UV circular dichroism of cyclo(L-Proline-L-Proline).

Carlson KL, Lowe SL, Hoffmann MR, Thomasson KA. Carlson KL, et al. Among authors: hoffmann mr. J Phys Chem A. 2006 Feb 9;110(5):1925-33. doi: 10.1021/jp052924k. J Phys Chem A. 2006. PMID: 16451026

6

Theoretical UV circular dichroism of aliphatic cyclic dipeptides.

Carlson KL, Lowe SL, Hoffmann MR, Thomasson KA. Carlson KL, et al. Among authors: hoffmann mr. J Phys Chem A. 2005 Jun 23;109(24):5463-70. doi: 10.1021/jp046580u. J Phys Chem A. 2005. PMID: 16839074

7

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

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

8

A momentum-conserving Franck-Condon approximation: theory and application to the photodissociation of Li2+ in an intense laser field.

Nichols P, Hoffmann MR. Nichols P, et al. Among authors: hoffmann mr. J Chem Phys. 2008 Jan 28;128(4):044115. doi: 10.1063/1.2821100. J Chem Phys. 2008. PMID: 18247938

9

Generalized van Vleck perturbation theory (GVVPT2) study of the excited states of benzene and the azabenzenes.

Devarajan A, Gaenko AV, Khait YG, Hoffmann MR. Devarajan A, et al. Among authors: hoffmann mr. J Phys Chem A. 2008 Mar 27;112(12):2677-82. doi: 10.1021/jp077702w. Epub 2008 Feb 14. J Phys Chem A. 2008. PMID: 18271567

10

Carbene proton attachment energies: theoretical study.

Azenkeng A, Laumb JD, Jensen RR, Olson ES, Benson SA, Hoffmann MR. Azenkeng A, et al. Among authors: hoffmann mr. J Phys Chem A. 2008 Jun 12;112(23):5269-77. doi: 10.1021/jp7115214. Epub 2008 May 20. J Phys Chem A. 2008. PMID: 18491844

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