Tim Kowalczyk - Publications

2005-2007 University of Southern California, Los Angeles, CA, United States 
 2007-2012 Massachusetts Institute of Technology, Cambridge, MA, United States 
 2012-2014 Department of Chemistry Nagoya University, Nagoya-shi, Aichi-ken, Japan 
 2014- Chemistry Western Washington University, Bellingham, WA, United States 

24 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
2021 Epifanovsky E, Gilbert ATB, Feng X, Lee J, Mao Y, Mardirossian N, Pokhilko P, White AF, Coons MP, Dempwolff AL, Gan Z, Hait D, Horn PR, Jacobson LD, Kaliman I, ... ... Kowalczyk T, et al. Software for the frontiers of quantum chemistry: An overview of developments in the Q-Chem 5 package. The Journal of Chemical Physics. 155: 084801. PMID 34470363 DOI: 10.1063/5.0055522  0.714
2020 Hourahine B, Aradi B, Blum V, Bonafé F, Buccheri A, Camacho C, Cevallos C, Deshaye MY, Dumitrică T, Dominguez A, Ehlert S, Elstner M, van der Heide T, Hermann J, Irle S, ... ... Kowalczyk T, et al. DFTB+, a software package for efficient approximate density functional theory based atomistic simulations. The Journal of Chemical Physics. 152: 124101. PMID 32241125 DOI: 10.1063/1.5143190  0.561
2019 Spaltenstein P, Cummins EJ, Yokuda KM, Kowalczyk T, Clark TB, O'Neil GW. Chemoselective Carbonyl Allylations with Alkoxyallylsiletanes. The Journal of Organic Chemistry. PMID 30811929 DOI: 10.1021/Acs.Joc.8B03028  0.537
2017 Surakhot Y, Laszlo V, Chitpakdee C, Promarak V, Sudyoadsuk T, Kungwan N, Kowalczyk T, Irle S, Jungsuttiwong S. Theoretical rationalization for reduced charge recombination in bulky carbazole-based sensitizers in solar cells. Journal of Computational Chemistry. PMID 28192642 DOI: 10.1002/Jcc.24751  0.555
2017 Garcia NA, Kowalczyk T. Extension of Intramolecular Charge-Transfer State Lifetime by Encapsulation in Porous Frameworks Journal of Physical Chemistry C. 121: 20673-20679. DOI: 10.1021/Acs.Jpcc.7B06770  0.336
2016 Nozawa R, Tanaka H, Cha WY, Hong Y, Hisaki I, Shimizu S, Shin JY, Kowalczyk T, Irle S, Kim D, Shinokubo H. Stacked antiaromatic porphyrins. Nature Communications. 7: 13620. PMID 27901014 DOI: 10.1038/Ncomms13620  0.549
2016 Komoto KT, Kowalczyk T. How Parallel Are Excited State Potential Energy Surfaces from Time-Independent and Time-Dependent DFT? A BODIPY Dye Case Study. The Journal of Physical Chemistry. A. 120: 8160-8168. PMID 27677341 DOI: 10.1021/Acs.Jpca.6B08181  0.377
2016 Laszlo V, Kowalczyk T. Acene-linked covalent organic frameworks as candidate materials for singlet fission Journal of Materials Chemistry. 4: 10500-10507. DOI: 10.1039/C6Ta03708A  0.361
2015 Kowalczyk T, Le K, Irle S. Self-consistent optimization of excited states within density-functional tight-binding. Journal of Chemical Theory and Computation. PMID 26587877 DOI: 10.1021/Acs.Jctc.5B00734  0.565
2015 Shao Y, Gan Z, Epifanovsky E, Gilbert ATB, Wormit M, Kussmann J, Lange AW, Behn A, Deng J, Feng X, Ghosh D, Goldey M, Horn PR, Jacobson LD, Kaliman I, ... ... Kowalczyk T, et al. Advances in molecular quantum chemistry contained in the Q-Chem 4 program package Molecular Physics. 113: 184-215. DOI: 10.1080/00268976.2014.952696  0.417
2014 Jin S, Sakurai T, Kowalczyk T, Dalapati S, Xu F, Wei H, Chen X, Gao J, Seki S, Irle S, Jiang D. Two-dimensional tetrathiafulvalene covalent organic frameworks: towards latticed conductive organic salts. Chemistry (Weinheim An Der Bergstrasse, Germany). 20: 14608-13. PMID 24782435 DOI: 10.1002/Chem.201402844  0.513
2014 Mavros MG, Tsuchimochi T, Kowalczyk T, McIsaac A, Wang LP, Voorhis TV. What can density functional theory tell us about artificial catalytic water splitting? Inorganic Chemistry. 53: 6386-97. PMID 24694041 DOI: 10.1021/Ic5002557  0.608
2014 Yuan C, Saito S, Camacho C, Kowalczyk T, Irle S, Yamaguchi S. Hybridization of a flexible cyclooctatetraene core and rigid aceneimide wings for multiluminescent flapping π systems. Chemistry (Weinheim An Der Bergstrasse, Germany). 20: 2193-200. PMID 24458337 DOI: 10.1002/Chem.201303955  0.54
2014 Sado Y, Aoyagi S, Izumi N, Kitaura R, Kowalczyk T, Wang J, Irle S, Nishibori E, Sugimoto K, Shinohara H. Structure of Tm2 and Tm2C2 encapsulated in low-symmetry C82(Cs(6)) fullerene cage by single crystal X-ray diffraction Chemical Physics Letters. 600: 38-42. DOI: 10.1016/J.Cplett.2014.03.047  0.484
2014 Jin S, Sakurai T, Kowalczyk T, Dalapati S, Xu F, Wei H, Chen X, Gao J, Seki S, Irle S, Jiang D. Back Cover: Two-Dimensional Tetrathiafulvalene Covalent Organic Frameworks: Towards Latticed Conductive Organic Salts (Chem. Eur. J. 45/2014) Chemistry - a European Journal. 20: 14904-14904. DOI: 10.1002/Chem.201490189  0.483
2014 Yuan C, Saito S, Camacho C, Kowalczyk T, Irle S, Yamaguchi S. Inside Cover: Hybridization of a Flexible Cyclooctatetraene Core and Rigid Aceneimide Wings for Multiluminescent Flapping π Systems (Chem. Eur. J. 8/2014) Chemistry - a European Journal. 20: 2086-2086. DOI: 10.1002/Chem.201490028  0.485
2013 Yost SR, Kowalczyk T, Van Voorhis T. A multireference perturbation method using non-orthogonal Hartree-Fock determinants for ground and excited states. The Journal of Chemical Physics. 139: 174104. PMID 24206284 DOI: 10.1063/1.4827456  0.615
2013 Kowalczyk T, Tsuchimochi T, Chen PT, Top L, Van Voorhis T. Excitation energies and Stokes shifts from a restricted open-shell Kohn-Sham approach. The Journal of Chemical Physics. 138: 164101. PMID 23635105 DOI: 10.1063/1.4801790  0.595
2012 Kaduk B, Kowalczyk T, Van Voorhis T. Constrained density functional theory. Chemical Reviews. 112: 321-70. PMID 22077560 DOI: 10.1021/Cr200148B  0.571
2011 Kowalczyk T, Wang LP, Van Voorhis T. Simulation of solution phase electron transfer in a compact donor-acceptor dyad. The Journal of Physical Chemistry. B. 115: 12135-44. PMID 21961889 DOI: 10.1021/Jp204962K  0.709
2011 Kowalczyk T, Yost SR, Van Voorhis T. Assessment of the ΔSCF density functional theory approach for electronic excitations in organic dyes. The Journal of Chemical Physics. 134: 054128. PMID 21303113 DOI: 10.1063/1.3530801  0.628
2010 Kowalczyk T, Lin Z, Van Voorhis T. Fluorescence quenching by photoinduced electron transfer in the Zn2+ sensor zinpyr-1: a computational investigation. The Journal of Physical Chemistry. A. 114: 10427-34. PMID 20809640 DOI: 10.1021/Jp103153A  0.594
2010 Van Voorhis T, Kowalczyk T, Kaduk B, Wang LP, Cheng CL, Wu Q. The diabatic picture of electron transfer, reaction barriers, and molecular dynamics. Annual Review of Physical Chemistry. 61: 149-70. PMID 20055670 DOI: 10.1146/Annurev.Physchem.012809.103324  0.728
2007 Kowalczyk T, Krylov AI. Electronic structure of carbon trioxide and vibronic interactions involving Jahn-Teller states. The Journal of Physical Chemistry. A. 111: 8271-6. PMID 17661455 DOI: 10.1021/Jp073627D  0.537
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