Henryk A. Witek - Search Results

Year	Number of Results
2002	1
2003	1
2004	3
2006	1
2007	4
2008	5
2009	1
2010	4
2011	4
2012	2
2013	3
2014	3
2015	2
2016	3
2018	3
2019	1
2020	2
2021	4
2022	1
2023	3
2024	3
2026	1

1

Scanning pH-metry for Observing Reversibility in Protein Folding.

Prabhu GRD, Yang TH, Shiu RT, Witek HA, Urban PL. Prabhu GRD, et al. Among authors: witek ha. Biochemistry. 2022 Oct 17. doi: 10.1021/acs.biochem.2c00453. Online ahead of print. Biochemistry. 2022. PMID: 36251331

2

Critical interpretation of CH- and OH- stretching regions for infrared spectra of methanol clusters (CH₃OH)n (n = 2-5) using self-consistent-charge density functional tight-binding molecular dynamics simulations.

Nishimura Y, Lee YP, Irle S, Witek HA. Nishimura Y, et al. Among authors: witek ha. J Chem Phys. 2014 Sep 7;141(9):094303. doi: 10.1063/1.4893952. J Chem Phys. 2014. PMID: 25194368

3

Correcting long-range electrostatics in DFTB.

Podeszwa R, Jankiewicz W, Krzuś M, Witek HA. Podeszwa R, et al. Among authors: witek ha. J Chem Phys. 2019 Jun 21;150(23):234110. doi: 10.1063/1.5099694. J Chem Phys. 2019. PMID: 31228904

4

Nucleotide-Dependent Bioautocatalytic Timer Reaction.

Chen TR, Hsu CF, Chen CL, Witek HA, Urban PL. Chen TR, et al. Among authors: witek ha. ACS Synth Biol. 2016 Sep 16;5(9):962-8. doi: 10.1021/acssynbio.6b00116. Epub 2016 Jun 7. ACS Synth Biol. 2016. PMID: 27231752

5

Automatized Parameterization of DFTB Using Particle Swarm Optimization.

Chou CP, Nishimura Y, Fan CC, Mazur G, Irle S, Witek HA. Chou CP, et al. Among authors: witek ha. J Chem Theory Comput. 2016 Jan 12;12(1):53-64. doi: 10.1021/acs.jctc.5b00673. Epub 2015 Dec 9. J Chem Theory Comput. 2016. PMID: 26587758

6

Detection of a C₄ Criegee Intermediate: Fourier-Transform Microwave Spectroscopy of Methacrolein Oxide.

Endo Y, Chung CA, Witek HA, Cabezas C, Lee YP. Endo Y, et al. Among authors: witek ha. J Phys Chem A. 2023 Oct 19;127(41):8602-8606. doi: 10.1021/acs.jpca.3c05553. Epub 2023 Oct 10. J Phys Chem A. 2023. PMID: 37816148

7

Infrared absorption spectrum of the simplest Criegee intermediate CH2OO.

Su YT, Huang YH, Witek HA, Lee YP. Su YT, et al. Among authors: witek ha. Science. 2013 Apr 12;340(6129):174-6. doi: 10.1126/science.1234369. Science. 2013. PMID: 23580523

8

Dispersion-Corrected DFT Struggles with Predicting Three-Body Interaction Energies.

Jankiewicz W, Podeszwa R, Witek HA. Jankiewicz W, et al. Among authors: witek ha. J Chem Theory Comput. 2018 Oct 9;14(10):5079-5089. doi: 10.1021/acs.jctc.8b00167. Epub 2018 Sep 21. J Chem Theory Comput. 2018. PMID: 30188704

9

Polarizability tensor invariants of H₂, HD, and D₂.

Raj A, Hamaguchi HO, Witek HA. Raj A, et al. Among authors: witek ha. J Chem Phys. 2018 Mar 14;148(10):104308. doi: 10.1063/1.5011433. J Chem Phys. 2018. PMID: 29544338

10

Mechanism of proton-coupled electron transfer described with QM/MM implementation of coupled-perturbed density-functional tight-binding.

Maag D, Böser J, Witek HA, Hourahine B, Elstner M, Kubař T. Maag D, et al. Among authors: witek ha. J Chem Phys. 2023 Mar 28;158(12):124107. doi: 10.1063/5.0137122. J Chem Phys. 2023. PMID: 37003777 Free article.

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