Govind N - Search Results

1

Time-Domain Simulations of Transient Species in Experimentally Relevant Environments.

Ueltschi TW, Fischer SA, Aprà E, Tarnovsky AN, Govind N, El-Khoury PZ, Hess WP. Ueltschi TW, et al. Among authors: govind n. J Phys Chem A. 2016 Feb 4;120(4):556-61. doi: 10.1021/acs.jpca.5b11710. Epub 2016 Jan 21. J Phys Chem A. 2016. PMID: 26752240

2

EOMCC, MRPT, and TDDFT studies of charge transfer processes in mixed-valence compounds: application to the spiro molecule.

Glaesemann KR, Govind N, Krishnamoorthy S, Kowalski K. Glaesemann KR, et al. Among authors: govind n. J Phys Chem A. 2010 Aug 26;114(33):8764-71. doi: 10.1021/jp101761d. J Phys Chem A. 2010. PMID: 20540550

3

Simulating Ru L3-edge X-ray absorption spectroscopy with time-dependent density functional theory: model complexes and electron localization in mixed-valence metal dimers.

Van Kuiken BE, Valiev M, Daifuku SL, Bannan C, Strader ML, Cho H, Huse N, Schoenlein RW, Govind N, Khalil M. Van Kuiken BE, et al. Among authors: govind n. J Phys Chem A. 2013 May 30;117(21):4444-54. doi: 10.1021/jp401020j. Epub 2013 May 17. J Phys Chem A. 2013. PMID: 23635307 Free article.

4

Toward enabling large-scale open-shell equation-of-motion coupled cluster calculations: triplet states of β-carotene.

Hu HS, Bhaskaran-Nair K, Aprà E, Govind N, Kowalski K. Hu HS, et al. Among authors: govind n. J Phys Chem A. 2014 Oct 2;118(39):9087-93. doi: 10.1021/jp5021214. Epub 2014 Jun 19. J Phys Chem A. 2014. PMID: 24905471

5

Infrared and Raman Spectroscopy from Ab Initio Molecular Dynamics and Static Normal Mode Analysis: The C-H Region of DMSO as a Case Study.

Fischer SA, Ueltschi TW, El-Khoury PZ, Mifflin AL, Hess WP, Wang HF, Cramer CJ, Govind N. Fischer SA, et al. Among authors: govind n. J Phys Chem B. 2016 Mar 3;120(8):1429-36. doi: 10.1021/acs.jpcb.5b03323. Epub 2015 Aug 14. J Phys Chem B. 2016. PMID: 26222601

6

Influence of Coherent Tunneling and Incoherent Hopping on the Charge Transfer Mechanism in Linear Donor-Bridge-Acceptor Systems.

Li G, Govind N, Ratner MA, Cramer CJ, Gagliardi L. Li G, et al. Among authors: govind n. J Phys Chem Lett. 2015 Dec 17;6(24):4889-97. doi: 10.1021/acs.jpclett.5b02154. Epub 2015 Nov 25. J Phys Chem Lett. 2015. PMID: 26554424

7

Excited State Absorption from Real-Time Time-Dependent Density Functional Theory.

Fischer SA, Cramer CJ, Govind N. Fischer SA, et al. Among authors: govind n. J Chem Theory Comput. 2015 Sep 8;11(9):4294-303. doi: 10.1021/acs.jctc.5b00473. Epub 2015 Aug 25. J Chem Theory Comput. 2015. PMID: 26575924

8

Excited-State Absorption from Real-Time Time-Dependent Density Functional Theory: Optical Limiting in Zinc Phthalocyanine.

Fischer SA, Cramer CJ, Govind N. Fischer SA, et al. Among authors: govind n. J Phys Chem Lett. 2016 Apr 7;7(7):1387-91. doi: 10.1021/acs.jpclett.6b00282. Epub 2016 Mar 28. J Phys Chem Lett. 2016. PMID: 27007445

9

Coupled Cluster Studies of Ionization Potentials and Electron Affinities of Single-Walled Carbon Nanotubes.

Peng B, Govind N, Aprà E, Klemm M, Hammond JR, Kowalski K. Peng B, et al. Among authors: govind n. J Phys Chem A. 2017 Feb 16;121(6):1328-1335. doi: 10.1021/acs.jpca.6b10874. Epub 2017 Feb 3. J Phys Chem A. 2017. PMID: 28102672

10

Nonequilibrium Chemical Effects in Single-Molecule SERS Revealed by Ab Initio Molecular Dynamics Simulations.

Fischer SA, Aprà E, Govind N, Hess WP, El-Khoury PZ. Fischer SA, et al. Among authors: govind n. J Phys Chem A. 2017 Feb 16;121(6):1344-1350. doi: 10.1021/acs.jpca.6b12156. Epub 2017 Feb 7. J Phys Chem A. 2017. PMID: 28117998

Save citations to file

Email citations

Send citations to clipboard

Add to Collections

Add to My Bibliography

Create a file for external citation management software

Your saved search

Your RSS Feed

My Custom Filters

Publication date

Text availability

Article attribute

Article type

Article Language

Species

Sex

Age

Other

198 results

Search Page

Filters