Psciuk BT - Search Results

1

Assessment of DFT for Computing Sum Frequency Generation Spectra of an Epoxydiol and a Deuterated Isotopologue at Fused Silica/Vapor Interfaces.

Chase HM, Rudshteyn B, Psciuk BT, Upshur MA, Strick BF, Thomson RJ, Batista VS, Geiger FM. Chase HM, et al. Among authors: psciuk bt. J Phys Chem B. 2016 Mar 3;120(8):1919-27. doi: 10.1021/acs.jpcb.5b09769. Epub 2015 Nov 30. J Phys Chem B. 2016. PMID: 26562617

2

Accurate line shapes from sub-1 cm(-1) resolution sum frequency generation vibrational spectroscopy of α-pinene at room temperature.

Mifflin AL, Velarde L, Ho J, Psciuk BT, Negre CF, Ebben CJ, Upshur MA, Lu Z, Strick BL, Thomson RJ, Batista VS, Wang HF, Geiger FM. Mifflin AL, et al. Among authors: psciuk bt. J Phys Chem A. 2015 Feb 26;119(8):1292-302. doi: 10.1021/jp510700z. Epub 2015 Feb 17. J Phys Chem A. 2015. PMID: 25647092

3

Beyond local group modes in vibrational sum frequency generation.

Chase HM, Psciuk BT, Strick BL, Thomson RJ, Batista VS, Geiger FM. Chase HM, et al. Among authors: psciuk bt. J Phys Chem A. 2015 Apr 9;119(14):3407-14. doi: 10.1021/acs.jpca.5b02208. Epub 2015 Mar 30. J Phys Chem A. 2015. PMID: 25774902

4

Characterization of Parallel β-Sheets at Interfaces by Chiral Sum Frequency Generation Spectroscopy.

Fu L, Wang Z, Psciuk BT, Xiao D, Batista VS, Yan EC. Fu L, et al. Among authors: psciuk bt. J Phys Chem Lett. 2015 Apr 16;6(8):1310-5. doi: 10.1021/acs.jpclett.5b00326. Epub 2015 Mar 27. J Phys Chem Lett. 2015. PMID: 26263128 Free PMC article.

5

Correlating photoacidity to hydrogen-bond structure by using the local O-H stretching probe in hydrogen-bonded complexes of aromatic alcohols.

Psciuk BT, Prémont-Schwarz M, Koeppe B, Keinan S, Xiao D, Nibbering ET, Batista VS. Psciuk BT, et al. J Phys Chem A. 2015 May 21;119(20):4800-12. doi: 10.1021/acs.jpca.5b01530. Epub 2015 May 4. J Phys Chem A. 2015. PMID: 25879273

6

Computational prediction of one-electron reduction potentials and acid dissociation constants for guanine oxidation intermediates and products.

Psciuk BT, Schlegel HB. Psciuk BT, et al. J Phys Chem B. 2013 Aug 15;117(32):9518-31. doi: 10.1021/jp4062412. Epub 2013 Aug 7. J Phys Chem B. 2013. PMID: 23875631

7

Ab initio classical trajectory study of the fragmentation of C3H4 dications on the singlet and triplet surfaces.

Psciuk BT, Tao P, Schlegel HB. Psciuk BT, et al. J Phys Chem A. 2010 Jul 29;114(29):7653-60. doi: 10.1021/jp102238g. J Phys Chem A. 2010. PMID: 20590146

8

Theoretical Determination of One-Electron Oxidation Potentials for Nucleic Acid Bases.

Psciuk BT, Lord RL, Munk BH, Schlegel HB. Psciuk BT, et al. J Chem Theory Comput. 2012 Dec 11;8(12):5107-23. doi: 10.1021/ct300550x. Epub 2012 Sep 13. J Chem Theory Comput. 2012. PMID: 26593200

9

Can Metallapyrimidines Be Aromatic? A Computational Study into a New Class of Metallacycles.

Psciuk BT, Lord RL, Winter CH, Schlegel HB. Psciuk BT, et al. J Chem Theory Comput. 2012 Dec 11;8(12):4950-9. doi: 10.1021/ct3006979. Epub 2012 Oct 19. J Chem Theory Comput. 2012. PMID: 26593189

10

AMBER Force Field Parameters for the Naturally Occurring Modified Nucleosides in RNA.

Aduri R, Psciuk BT, Saro P, Taniga H, Schlegel HB, SantaLucia J. Aduri R, et al. Among authors: psciuk bt. J Chem Theory Comput. 2007 Jul;3(4):1464-75. doi: 10.1021/ct600329w. J Chem Theory Comput. 2007. PMID: 26633217

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