Kowalski K - Search Results

1

Green's Function Coupled-Cluster Approach: Simulating Photoelectron Spectra for Realistic Molecular Systems.

Peng B, Kowalski K. Peng B, et al. Among authors: kowalski k. J Chem Theory Comput. 2018 Aug 14;14(8):4335-4352. doi: 10.1021/acs.jctc.8b00313. Epub 2018 Jul 16. J Chem Theory Comput. 2018. PMID: 29957945

2

Hybrid coupled cluster and molecular dynamics approach: application to the excitation spectrum of cytosine in the native DNA environment.

Valiev M, Kowalski K. Valiev M, et al. Among authors: kowalski k. J Chem Phys. 2006 Dec 7;125(21):211101. doi: 10.1063/1.2403847. J Chem Phys. 2006. PMID: 17166008

3

Linear response coupled cluster singles and doubles approach with modified spectral resolution of the similarity transformed Hamiltonian.

Kowalski K, Hammond JR, de Jong WA. Kowalski K, et al. J Chem Phys. 2007 Oct 28;127(16):164105. doi: 10.1063/1.2795708. J Chem Phys. 2007. PMID: 17979317

4

Active-space completely-renormalized equation-of-motion coupled-cluster formalism: Excited-state studies of green fluorescent protein, free-base porphyrin, and oligoporphyrin dimer.

Kowalski K, Krishnamoorthy S, Villa O, Hammond JR, Govind N. Kowalski K, et al. J Chem Phys. 2010 Apr 21;132(15):154103. doi: 10.1063/1.3385315. J Chem Phys. 2010. PMID: 20423164

5

A universal state-selective approach to multireference coupled-cluster non-iterative corrections.

Kowalski K. Kowalski K. J Chem Phys. 2011 May 21;134(19):194107. doi: 10.1063/1.3589896. J Chem Phys. 2011. PMID: 21599044

6

Modeling Excited States in TiO₂ Nanoparticles: On the Accuracy of a TD-DFT Based Description.

Berardo E, Hu HS, Shevlin SA, Woodley SM, Kowalski K, Zwijnenburg MA. Berardo E, et al. Among authors: kowalski k. J Chem Theory Comput. 2014 Mar 11;10(3):1189-1199. doi: 10.1021/ct4010273. Epub 2014 Feb 11. J Chem Theory Comput. 2014. PMID: 24795544 Free PMC article.

7

Equation of motion coupled cluster methods for electron attachment and ionization potential in fullerenes C60 and C70.

Bhaskaran-Nair K, Kowalski K, Moreno J, Jarrell M, Shelton WA. Bhaskaran-Nair K, et al. Among authors: kowalski k. J Chem Phys. 2014 Aug 21;141(7):074304. doi: 10.1063/1.4891934. J Chem Phys. 2014. PMID: 25149783

8

Coupled-cluster representation of Green function employing modified spectral resolutions of similarity transformed Hamiltonians.

Kowalski K, Bhaskaran-Nair K, Shelton WA. Kowalski K, et al. J Chem Phys. 2014 Sep 7;141(9):094102. doi: 10.1063/1.4893527. J Chem Phys. 2014. PMID: 25194359

9

Charge-Transfer Versus Charge-Transfer-Like Excitations Revisited.

Moore B 2nd, Sun H, Govind N, Kowalski K, Autschbach J. Moore B 2nd, et al. Among authors: kowalski k. J Chem Theory Comput. 2015 Jul 14;11(7):3305-20. doi: 10.1021/acs.jctc.5b00335. Epub 2015 Jun 17. J Chem Theory Comput. 2015. PMID: 26575765

10

Describing Excited State Relaxation and Localization in TiO2 Nanoparticles Using TD-DFT.

Berardo E, Hu HS, van Dam HJ, Shevlin SA, Woodley SM, Kowalski K, Zwijnenburg MA. Berardo E, et al. Among authors: kowalski k. J Chem Theory Comput. 2014 Dec 9;10(12):5538-48. doi: 10.1021/ct500787x. Epub 2014 Nov 17. J Chem Theory Comput. 2014. PMID: 26583237

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