Brian T. Psciuk - Publications

Affiliations: 
Chemistry Yale University, New Haven, CT 
Area:
Computational Chemistry
Website:
http://ursula.chem.yale.edu/~batista/personal/Brian.html

19 high-probability publications. We are testing a new system for linking publications to authors. You can help! If you notice any inaccuracies, please sign in and mark papers as correct or incorrect matches. If you identify any major omissions or other inaccuracies in the publication list, please let us know.

Year Citation  Score
2016 Ge A, Rudshteyn B, Psciuk BT, Xiao D, Song J, Anfuso CL, Ricks AM, Batista VS, Lian T. Surface-Induced Anisotropic Binding of a Rhenium CO2-Reduction Catalyst on Rutile TiO2(110) Surfaces Journal of Physical Chemistry C. 120: 20970-20977. DOI: 10.1021/Acs.Jpcc.6B03165  0.734
2016 Ho J, Psciuk BT, Chase HM, Rudshteyn B, Upshur MA, Fu L, Thomson RJ, Wang HF, Geiger FM, Batista VS. Sum Frequency Generation Spectroscopy and Molecular Dynamics Simulations Reveal a Rotationally Fluid Adsorption State of α-Pinene on Silica Journal of Physical Chemistry C. 120: 12578-12589. DOI: 10.1021/Acs.Jpcc.6B03158  0.736
2016 Clark ML, Rudshteyn B, Ge A, Chabolla SA, MacHan CW, Psciuk BT, Song J, Canzi G, Lian T, Batista VS, Kubiak CP. Orientation of cyano-substituted bipyridine Re(I) fac-tricarbonyl electrocatalysts bound to conducting au surfaces Journal of Physical Chemistry C. 120: 1657-1665. DOI: 10.1021/Acs.Jpcc.5B10912  0.715
2015 Chase HM, Rudshteyn B, Psciuk BT, Upshur MA, Strick BF, Thomson RJ, Batista VS, Geiger FM. Assessment of DFT for Computing Sum Frequency Generation Spectra of an Epoxydiol and a Deuterated Isotopologue at Fused Silica/Vapor Interfaces. The Journal of Physical Chemistry. B. PMID 26562617 DOI: 10.1021/Acs.Jpcb.5B09769  0.739
2015 Fu L, Wang Z, Psciuk BT, Xiao D, Batista VS, Yan EC. Characterization of Parallel β-Sheets at Interfaces by Chiral Sum Frequency Generation Spectroscopy. The Journal of Physical Chemistry Letters. 6: 1310-5. PMID 26263128 DOI: 10.1021/Acs.Jpclett.5B00326  0.628
2015 Psciuk BT, Prémont-Schwarz M, Koeppe B, Keinan S, Xiao D, Nibbering ET, Batista VS. Correlating photoacidity to hydrogen-bond structure by using the local O-H stretching probe in hydrogen-bonded complexes of aromatic alcohols. The Journal of Physical Chemistry. A. 119: 4800-12. PMID 25879273 DOI: 10.1021/Acs.Jpca.5B01530  0.627
2015 Chase HM, Psciuk BT, Strick BL, Thomson RJ, Batista VS, Geiger FM. Beyond local group modes in vibrational sum frequency generation. The Journal of Physical Chemistry. A. 119: 3407-14. PMID 25774902 DOI: 10.1021/Acs.Jpca.5B02208  0.559
2015 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. Accurate line shapes from sub-1 cm(-1) resolution sum frequency generation vibrational spectroscopy of α-pinene at room temperature. The Journal of Physical Chemistry. A. 119: 1292-302. PMID 25647092 DOI: 10.1021/Jp510700Z  0.728
2015 Fu L, Wang Z, Psciuk BT, Xiao D, Batista VS, Yan ECY. Characterization of parallel β-sheets at interfaces by chiral sum frequency generation spectroscopy Journal of Physical Chemistry Letters. 6: 1310-1315. DOI: 10.1021/acs.jpclett.5b00326  0.581
2014 Psciuk BT, Prémont-Schwartz M, Koeppe B, Keinan S, Xiao D, Batista VS, Nibbering ETJ. Ultrafast IR spectroscopy of O-H stretching modes in 2-naphthol-acetonitrile photoacid-base complexes Optics Infobase Conference Papers 0.549
2013 Psciuk BT, Schlegel HB. Computational prediction of one-electron reduction potentials and acid dissociation constants for guanine oxidation intermediates and products. The Journal of Physical Chemistry. B. 117: 9518-31. PMID 23875631 DOI: 10.1021/Jp4062412  0.525
2012 Psciuk BT, Lord RL, Munk BH, Schlegel HB. Theoretical Determination of One-Electron Oxidation Potentials for Nucleic Acid Bases. Journal of Chemical Theory and Computation. 8: 5107-23. PMID 26593200 DOI: 10.1021/Ct300550X  0.707
2012 Psciuk BT, Lord RL, Winter CH, Schlegel HB. Can Metallapyrimidines Be Aromatic? A Computational Study into a New Class of Metallacycles. Journal of Chemical Theory and Computation. 8: 4950-9. PMID 26593189 DOI: 10.1021/Ct3006979  0.658
2012 Psciuk BT, Lord RL, Winter CH, Schlegel HB. Can metallapyrimidines be aromatic? A computational study into a new class of metallacycles Journal of Chemical Theory and Computation. 8: 4950-4959. DOI: 10.1021/ct3006979  0.607
2012 Psciuk BT, Lord RL, Munk BH, Schlegel HB. Theoretical determination of one-electron oxidation potentials for nucleic acid bases Journal of Chemical Theory and Computation. 8: 5107-5123. DOI: 10.1021/ct300550x  0.688
2010 Psciuk BT, Tao P, Schlegel HB. Ab initio classical trajectory study of the fragmentation of C3H4 dications on the singlet and triplet surfaces. The Journal of Physical Chemistry. A. 114: 7653-60. PMID 20590146 DOI: 10.1021/Jp102238G  0.512
2007 Aduri R, Psciuk BT, Saro P, Taniga H, Schlegel HB, SantaLucia J. AMBER Force Field Parameters for the Naturally Occurring Modified Nucleosides in RNA. Journal of Chemical Theory and Computation. 3: 1464-75. PMID 26633217 DOI: 10.1021/Ct600329W  0.441
2007 Aduri R, Psciuk BT, Saro P, Taniga H, Schlegel HB, SantaLucia J. AMBER force field parameters for the naturally occurring modified nucleosides in RNA Journal of Chemical Theory and Computation. 3: 1464-1475. DOI: 10.1021/ct600329w  0.329
2007 Psciuk BT, Benderskii VA, Schlegel HB. Protonated acetylene revisited Theoretical Chemistry Accounts. 118: 75-80. DOI: 10.1007/S00214-006-0242-X  0.494
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