arrow
Back
R

Rollin A. King

Rikkyo University

25H-index
63Paper Count
8.1KCitation Count
Published Papers 25
Publication Date
Quantum Chemistry Common Driver and Databases (QCDB) and Quantum Chemistry Engine (QCEngine): Automation and interoperability among computational chemistry programs
err2021-11-22
err29
errOAAI
errSmith, Daniel G. A.; Lolinco, Annabelle T.; Glick, Zachary L.; Lee, Jiyoung; Alenaizan, Asem; Barnes, Taylor A.; Borca, Carlos H.; Di Remigio, Roberto; Dotson, David L.; Ehlert, Sebastian; Heide, Alexander G.; Herbst, Michael F.; Hermann, Jan; Hicks, Colton B.; Horton, Joshua T.; Hurtado, Adrian G.; Kraus, Peter; Kruse, Holger; Lee, Sebastian J. R.; Misiewicz, Jonathon P.; Naden, Levi N.; Ramezanghorbani, Farhad; Scheurer, Maximilian; Schriber, Jeffrey B.; Simmonett, Andrew C.; Steinmetzer, Johannes; Wagner, Jeffrey R.; Ward, Logan; Welborn, Matthew; Altarawy, Doaa; Anwar, Jamshed; Chodera, John D.; Dreuw, Andreas; Kulik, Heather J.; Liu, Fang; Martinez, Todd J.; Matthews, Devin A.; Schaefer, Henry F., III; Sponer, Jiri; Turney, Justin M.; Wang, Lee-Ping; De Silva, Nuwan; King, Rollin A.; Stanton, John F.; Gordon, Mark S.; Windus, Theresa L.; Sherrill, C. David; Burns, Lori A.
errShare
errSave
PSI4 1.4: Open-source software for high-throughput quantum chemistry
err2020-05-13
err684
errOAAI
errSmith, Daniel G. A.; Burns, Lori A.; Simmonett, Andrew C.; Parrish, Robert M.; Schieber, Matthew C.; Galvelis, Raimondas; Kraus, Peter; Kruse, Holger; Di Remigio, Roberto; Alenaizan, Asem; James, Andrew M.; Lehtola, Susi; Misiewicz, Jonathon P.; Scheurer, Maximilian; Shaw, Robert A.; Schriber, Jeffrey B.; Xie, Yi; Glick, Zachary L.; Sirianni, Dominic A.; O'Brien, Joseph Senan; Waldrop, Jonathan M.; Kumar, Ashutosh; Hohenstein, Edward G.; Pritchard, Benjamin P.; Brooks, Bernard R.; Schaefer, Henry F., III; Sokolov, Alexander Yu.; Patkowski, Konrad; DePrince, A. Eugene, III; Bozkaya, Ugur; King, Rollin A.; Evangelista, Francesco A.; Turney, Justin M.; Crawford, T. Daniel; Sherrill, C. David
errShare
errSave
PSI4NUMPY: An Interactive Quantum Chemistry Programming Environment for Reference Implementations and Rapid Development
err2018-05-17
err129
PREAI
errSmith, Daniel G. A.; Burns, Lori A.; Sirianni, Dominic A.; Nascimento, Daniel R.; Kumar, Ashutosh; James, Andrew M.; Schriber, Jeffrey B.; Zhang, Tianyuan; Zhang, Boyi; Abbott, Adam S.; Berquist, Ericv J.; Lechner, Marvin H.; Cunha, Leonardo A.; Heide, Alexander G.; Waldrop, Jonathan M.; Takeshita, Tyler Y.; Alenaizan, Asem; Neuhauser, Daniel; King, Rollin A.; Simmonett, Andrew C.; Turney, Justin M.; Schaefer, Henry F.; Evangelista, Francesco A.; DePrince, A. Eugene, III; Crawford, T. Daniel; Patkowski, Konrad; Sherrill, C. David
errShare
errSave
PSI4 1.1: An Open-Source Electronic Structure Program Emphasizing Automation, Advanced Libraries, and Interoperability
err2017-06-06
err1.1K
errOAAI
errParrish, Robert M.; Burns, Lori A.; Smith, Daniel G. A.; Simmonett, Andrew C.; DePrince, A. Eugene, III; Hohenstein, Edward G.; Bozkaya, Ugur; Sokolov, Alexander Yu.; Di Remigio, Roberto; Richard, Ryan M.; Gonthier, Jerome F.; James, Andrew M.; McAlexander, Harley R.; Kumar, Ashutosh; Saitow, Masaaki; Wang, Xiao; Pritchard, Benjamin P.; Prakash, Verma; Schaefer, Henry F., III; Patkowski, Konrad; King, Rollin A.; Valeev, Edward F.; Evangelista, Francesco A.; Turney, Justin M.; Crawford, T. Daniel; Sherrill, C. David
errShare
errSave
The quantum chemical search for novel materials and the issue of data processing: The InfoMol project
err2016-07-01
err5
errOAAI
errLuthi, Hans P.; Heinen, Stefan; Schneider, Gisbert; Gloss, Andreas; Brandle, Martin P.; King, Rollin A.; Pyzer-Knapp, Edward; Alharbi, Fahhad H.; Kais, Sabre
errShare
errSave
Competition Between π-π and C-H/π Interactions: A Comparison of the Structural and Electronic Properties of Alkoxy-Substituted 1,8-Bis((propyloxyphenyl)ethynyl)naphthalenes
err2015-11-16
err8
PREAI
errCarson, Bradley E.; Parker, Trent M.; Hohenstein, Edward G.; Brizius, Glen L.; Komorner, Whitney; King, Rollin A.; Collard, David M.; Sherrill, C. David
errShare
errSave
PSI4: an open-source ab initio electronic structure program
err2011-10-31
err1.0K
PREAI
errTurney, Justin M.; Simmonett, Andrew C.; Parrish, Robert M.; Hohenstein, Edward G.; Evangelista, Francesco A.; Fermann, Justin T.; Mintz, Benjamin J.; Burns, Lori A.; Wilke, Jeremiah J.; Abrams, Micah L.; Russ, Nicholas J.; Leininger, Matthew L.; Janssen, Curtis L.; Seidl, Edward T.; Allen, Wesley D.; Schaefer, Henry F.; King, Rollin A.; Valeev, Edward F.; Sherrill, C. David; Crawford, T. Daniel
errShare
errSave
A benchmark study of the vertical electronic spectra of the linear chain radicals C2H and C4H
err2010-04-09
err47
PREAI
errFortenberry, Ryan C.; King, Rollin A.; Stanton, John F.; Crawford, T. Daniel
errShare
errSave
Medication Errors Occurring in Fomepizole Administration
err2009-09-01
err2
PREAI
errWong, S.; King, R.; Molai, S.; Fleishman, J.; Commons, B.; Labat, M.; Kleinschmidt, K.
errShare
errSave
PS13:: An open-source ab initio electronic structure package
err2007-04-09
err288
errOAAI
errCrawford, T. Daniel; Sherrill, C. David; Valeev, Edward F.; Fermann, Justin T.; King, Rollin A.; Leininger, Matthew L.; Brown, Shawn T.; Janssen, Curtis L.; Seidl, Edward T.; Kenny, Joseph P.; Allen, Wesley D.
errShare
errSave
The lowest 2A′ excited state of the water-hydroxyl complex
err2006-11-22
err33
PREAI
errCrawford, T. Daniel; Abrams, Micah L.; King, Rollin A.; Lane, Joseph R.; Schofield, Daniel P.; Kjaergaard, Henrik G.
errShare
errSave
Application of equation-of-motion coupled-cluster methods to low-lying singlet and triplet electronic states of HBO and BOH
err2005-06-22
err7
PREAI
errDeYonker, NJ; Li, S; Yamaguchi, Y; Schaefer, HF; Crawford, TD; King, RA; Peterson, KA
errShare
errSave
The photohydration of N-alkylypyridinium salts:: Theory and experiment
err2001-04-17
err15
PREAI
errKing, RA; Lüthi, HP; Schaefer, HF; Glarner, F; Burger, U
errShare
errSave
Analyses of the ScO- and ScO2- photoelectron spectra
err2000-07-08
err28
PREAI
errGonzales, JM; King, RA; Schaefer, HF
errShare
errSave
Formation of CF3O- in the gas phase
err1999-05-01
err11
PREAI
errMorris, RA; Miller, TM; Paulson, JF; Viggiano, AA; Feldmann, MT; King, RA; Schaefer, HF
errShare
errSave