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Lucas P. Koziol, Ph.D. - Publications

Affiliations: 
2000-2004 University of California, Davis, Davis, CA 
 2004-2009 Chemistry University of Southern California, Los Angeles, CA, United States 
 2009-2011 Amicrobe, Inc 
 2011-2014 Sandia National Laboratories, Livermore CA 
 2014- Exxon Corporate Research Laboratory, Annandale, NJ, United States 
Area:
Computational Studies of Electronic Structure and Spectroscopy of Open-Shell and Electronically Excited Species
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16 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 Koziol L, Fried LE, Goldman N. Using Force Matching To Determine Reactive Force Fields for Water under Extreme Thermodynamic Conditions. Journal of Chemical Theory and Computation. PMID 28004938 DOI: 10.1021/Acs.Jctc.6B00707  0.313
2014 Koziol L, Morales MM. A fixed-node diffusion Monte Carlo study of the 1,2,3-tridehydrobenzene triradical. The Journal of Chemical Physics. 140: 224316. PMID 24929397 DOI: 10.1063/1.4880275  0.42
2013 Koziol L, Essiz SG, Wong SE, Lau EY, Valdez CA, Satcher JH, Aines RD, Lightstone FC. Computational Analysis of a Zn-Bound Tris(imidazolyl) Calix[6]arene Aqua Complex: Toward Incorporating Second-Coordination Sphere Effects into Carbonic Anhydrase Biomimetics. Journal of Chemical Theory and Computation. 9: 1320-7. PMID 26587594 DOI: 10.1021/Ct3008793  0.381
2013 Koziol L, Kumar N, Wong SE, Lightstone FC. Molecular recognition of aromatic rings by flavin: electrostatics and dispersion determine ring positioning above isoalloxazine. The Journal of Physical Chemistry. A. 117: 12946-52. PMID 24229368 DOI: 10.1021/Jp407193C  0.384
2013 Lau EY, Wong SE, Baker SE, Bearinger JP, Koziol L, Valdez CA, Satcher JH, Aines RD, Lightstone FC. Comparison and analysis of zinc and cobalt-based systems as catalytic entities for the hydration of carbon dioxide. Plos One. 8: e66187. PMID 23840420 DOI: 10.1371/Journal.Pone.0066187  0.334
2012 Koziol L, Valdez CA, Baker SE, Lau EY, Floyd WC, Wong SE, Satcher JH, Lightstone FC, Aines RD. Toward a small molecule, biomimetic carbonic anhydrase model: theoretical and experimental investigations of a panel of zinc(II) aza-macrocyclic catalysts. Inorganic Chemistry. 51: 6803-12. PMID 22671132 DOI: 10.1021/Ic300526B  0.369
2010 Karpichev B, Koziol L, Diri K, Reisler H, Krylov AI. Electronically excited and ionized states of the CH2CH2OH radical: a theoretical study. The Journal of Chemical Physics. 132: 114308. PMID 20331298 DOI: 10.1063/1.3354975  0.689
2010 Kamarchik E, Koziol L, Reisler H, Bowman JM, Krylov AI. Roaming pathway leading to unexpected water + vinyl products in C 2H4OH dissociation Journal of Physical Chemistry Letters. 1: 3058-3065. DOI: 10.1021/Jz1011884  0.71
2009 Koziol L, Mozhayskiy VA, Braams BJ, Bowman JM, Krylov AI. Ab initio calculation of the photoelectron spectra of the hydroxycarbene diradicals. The Journal of Physical Chemistry. A. 113: 7802-9. PMID 19569718 DOI: 10.1021/Jp903476W  0.703
2009 Fedorov I, Koziol L, Mollner AK, Krylov AI, Reisler H. Multiphoton ionization and dissociation of diazirine: a theoretical and experimental study. The Journal of Physical Chemistry. A. 113: 7412-21. PMID 19341251 DOI: 10.1021/Jp900204G  0.626
2009 Manohar PU, Koziol L, Krylov AI. Effect of a heteroatom on bonding patterns and triradical stabilization energies of 2,4,6-tridehydropyridine versus 1,3,5-tridehydrobenzene. The Journal of Physical Chemistry. A. 113: 2591-9. PMID 19236028 DOI: 10.1021/Jp810522E  0.716
2008 Koziol L, Wang Y, Braams BJ, Bowman JM, Krylov AI. The theoretical prediction of infrared spectra of trans- and cis-hydroxycarbene calculated using full dimensional ab initio potential energy and dipole moment surfaces. The Journal of Chemical Physics. 128: 204310. PMID 18513022 DOI: 10.1063/1.2925452  0.629
2007 Fedorov I, Koziol L, Li G, Reisler H, Krylov AI. Vibronic structure and ion core interactions in Rydberg states of diazomethane: an experimental and theoretical investigation. The Journal of Physical Chemistry. A. 111: 13347-57. PMID 18052355 DOI: 10.1021/Jp0768064  0.633
2007 Koziol L, Winkler M, Houk KN, Venkataramani S, Sander W, Krylov AI. The 1,2,3-tridehydrobenzene triradical: 2B or not 2B? The answer is 2A! The Journal of Physical Chemistry. A. 111: 5071-80. PMID 17518455 DOI: 10.1021/Jp0714522  0.648
2007 Fedorov I, Koziol L, Li G, Parr JA, Krylov AI, Reisler H. Theoretical and experimental investigations of the electronic Rydberg states of diazomethane: assignments and state interactions. The Journal of Physical Chemistry. A. 111: 4557-66. PMID 17480063 DOI: 10.1021/Jp071590R  0.621
2006 Koziol L, Levchenko SV, Krylov AI. Beyond vinyl: electronic structure of unsaturated propen-1-yl, propen-2-yl, 1-buten-2-yl, and trans-2-buten-2-yl hydrocarbon radicals. The Journal of Physical Chemistry. A. 110: 2746-58. PMID 16494386 DOI: 10.1021/Jp055375R  0.731
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