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Scopus Author ID: 7404501262

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Employment (1)

Bethel University: Saint Paul, MN, US

2001-01-01 to present | Professor (Chemistry)
Employment
Source: Self-asserted source
Rollin King

Education and qualifications (1)

University of Georgia: Athens, GA, US

1999-05 | Ph.D. (Chemistry)
Education
Source: Self-asserted source
Rollin King

Works (43)

Structure of [18]Annulene Revisited: Challenges for Computing Benzenoid Systems

The Journal of Physical Chemistry A
2024-02-15 | Journal article
DOI: 10.1021/acs.jpca.3c07797
Contributors: Rollin A. King; Peter R. Schreiner; T. Daniel Crawford
Source: check_circle
Crossref

On the use of property-oriented basis sets for the simulation of vibrational chiroptical spectroscopies

Molecular Physics
2023 | Journal article
DOI: 10.1080/00268976.2023.2293232
EID:

2-s2.0-85180523945

Part of ISSN: 13623028 00268976
Contributors: Shumberger, B.M.; Fink, E.H.; King, R.A.; Crawford, T.D.
Source: Self-asserted source
Rollin King via Scopus - Elsevier

Computational analysis beyond the monomer frontier orbitals for photovoltaic donor-polymer candidates

Journal of Undergraduate Chemistry Research
2021 | Journal article
Contributors: Mitchell E. Lahm; Megan M. Niblock; John M. Migliore; Kendra D. McKenzie; Hans P. Luethi; Rollin King
Source: Self-asserted source
Rollin King

Quantum chemistry common driver and databases (qcdb) and quantum chemistry engine (qce ngine): Automation and interoperability among computational chemistry programs

Journal of Chemical Physics
2021 | Journal article
DOI: 10.1063/5.0059356
EID:

2-s2.0-85120337339

Part of ISSN: 10897690 00219606
Contributors: Smith, D.G.A.; Lolinco, A.T.; Glick, Z.L.; Lee, J.; Alenaizan, A.; Barnes, T.A.; Borca, C.H.; Di Remigio, R.; Dotson, D.L.; Ehlert, S. et al.
Source: Self-asserted source
Rollin King via Scopus - Elsevier

P SI4 1.4: Open-source software for high-throughput quantum chemistry

Journal of Chemical Physics
2020 | Journal article
DOI: 10.1063/5.0006002
EID:

2-s2.0-85084785854

Part of ISSN: 10897690 00219606
Contributors: Smith, D.G.A.; Burns, L.A.; Simmonett, A.C.; Parrish, R.M.; Schieber, M.C.; Galvelis, R.; Kraus, P.; Kruse, H.; Di Remigio, R.; Alenaizan, A. et al.
Source: Self-asserted source
Rollin King via Scopus - Elsevier

P si 4N um P y: An Interactive Quantum Chemistry Programming Environment for Reference Implementations and Rapid Development

Journal of Chemical Theory and Computation
2018 | Journal article
DOI: 10.1021/acs.jctc.8b00286
EID:

2-s2.0-85047401943

Part of ISSN: 15499626 15499618
Contributors: Smith, D.G.A.; Burns, L.A.; Sirianni, D.A.; Nascimento, D.R.; Kumar, A.; James, A.M.; Schriber, J.B.; Zhang, T.; Zhang, B.; Abbott, A.S. et al.
Source: Self-asserted source
Rollin King via Scopus - Elsevier

Psi4 1.1: An Open-Source Electronic Structure Program Emphasizing Automation, Advanced Libraries, and Interoperability

Journal of Chemical Theory and Computation
2017 | Journal article
DOI: 10.1021/acs.jctc.7b00174
EID:

2-s2.0-85021886502

Part of ISSN: 15499626 15499618
Contributors: Parrish, R.M.; Burns, L.A.; Smith, D.G.A.; Simmonett, A.C.; DePrince, A.E.; Hohenstein, E.G.; Bozkaya, U.; Sokolov, A.Y.; Di Remigio, R.; Richard, R.M. et al.
Source: Self-asserted source
Rollin King via Scopus - Elsevier

The quantum chemical search for novel materials and the issue of data processing: The InfoMol project

Journal of Computational Science
2016 | Journal article
DOI: 10.1016/j.jocs.2015.10.003
EID:

2-s2.0-84948800031

Part of ISSN: 18777503
Contributors: Lüthi, H.P.; Heinen, S.; Schneider, G.; Glöss, A.; Brändle, M.P.; King, R.A.; Pyzer-Knapp, E.; Alharbi, F.H.; Kais, S.
Source: Self-asserted source
Rollin King via Scopus - Elsevier

Advances in molecular quantum chemistry contained in the Q-Chem 4 program package

Molecular Physics
2015 | Journal article
DOI: 10.1080/00268976.2014.952696
EID:

2-s2.0-84919482525

Part of ISSN: 13623028 00268976
Contributors: Shao, Y.; Gan, Z.; Epifanovsky, E.; Gilbert, A.T.B.; Wormit, M.; Kussmann, J.; Lange, A.W.; Behn, A.; Deng, J.; Feng, X. et al.
Source: Self-asserted source
Rollin King via Scopus - Elsevier

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

Chemistry - A European Journal
2015 | Journal article
DOI: 10.1002/chem.201502363
EID:

2-s2.0-84954550397

Part of ISSN: 15213765 09476539
Contributors: Carson, B.E.; Parker, T.M.; Hohenstein, E.G.; Brizius, G.L.; Komorner, W.; King, R.A.; Collard, D.M.; Sherrill, C.D.
Source: Self-asserted source
Rollin King via Scopus - Elsevier

Free-radical copolymerisation of acrylamides, acrylates, and α-olefins

Molecular Physics
2015 | Journal article
DOI: 10.1080/00268976.2015.1015641
EID:

2-s2.0-84937733628

Part of ISSN: 13623028 00268976
Contributors: Carlson, R.K.; Lee, R.A.; Assam, J.H.; King, R.A.; Nagel, M.L.
Source: Self-asserted source
Rollin King via Scopus - Elsevier

Psi4: An open-source ab initio electronic structure program

Wiley Interdisciplinary Reviews: Computational Molecular Science
2012 | Journal article
DOI: 10.1002/wcms.93
EID:

2-s2.0-80855159119

Part of ISSN: 17590876 17590884
Contributors: Turney, J.M.; Simmonett, A.C.; Parrish, R.M.; Hohenstein, E.G.; Evangelista, F.A.; Fermann, J.T.; Mintz, B.J.; Burns, L.A.; Wilke, J.J.; Abrams, M.L. et al.
Source: Self-asserted source
Rollin King via Scopus - Elsevier

A benchmark study of the vertical electronic spectra of the linear chain radicals C<sub>2</sub> H and C<sub>4</sub> H

Journal of Chemical Physics
2010 | Journal article
DOI: 10.1063/1.3376073
EID:

2-s2.0-77951121654

Part of ISSN: 00219606
Contributors: Fortenberry, R.C.; King, R.A.; Stanton, J.F.; Crawford, T.D.
Source: Self-asserted source
Rollin King via Scopus - Elsevier

A coupled cluster benchmark study of the electronic spectrum of the allyl radical

Journal of Physical Chemistry A
2010 | Journal article
DOI: 10.1021/jp102292x
EID:

2-s2.0-77955863412

Part of ISSN: 10895639 15205215
Contributors: MacH, T.J.; King, R.A.; Crawford, T.D.
Source: Self-asserted source
Rollin King via Scopus - Elsevier

Chemistry as a function of the fine-structure constant and the electron-proton mass ratio

Physical Review A - Atomic, Molecular, and Optical Physics
2010 | Journal article
DOI: 10.1103/PhysRevA.81.042523
EID:

2-s2.0-77951739891

Part of ISSN: 10502947 10941622
Contributors: King, R.A.; Siddiqi, A.; Allen, W.D.; Schaefer, H.F.
Source: Self-asserted source
Rollin King via Scopus - Elsevier

On the accuracy of spin-component-scaled perturbation theory (SCS-MP2) for the potential energy surface of the ethylene dimer

Molecular Physics
2009 | Journal article
DOI: 10.1080/00268970802641242
EID:

2-s2.0-68249156733

Part of ISSN: 00268976 13623028
Contributors: King, R.A.
Source: Self-asserted source
Rollin King via Scopus - Elsevier

On the accuracy of computed excited-state dipole moments

Journal of Physical Chemistry A
2008 | Journal article
DOI: 10.1021/jp800867x
EID:

2-s2.0-53349095324

Part of ISSN: 10895639
Contributors: King, R.A.
Source: Self-asserted source
Rollin King via Scopus - Elsevier

Low-lying singlet excited states of isocyanogen

International Journal of Quantum Chemistry
2007 | Journal article
DOI: 10.1002/qua.21586
EID:

2-s2.0-40749155427

Part of ISSN: 00207608 1097461X
Contributors: Ringer, A.L.; Sherrill, C.D.; King, R.A.; Crawford, T.D.
Source: Self-asserted source
Rollin King via Scopus - Elsevier

Photo-rearrangement of N-substituted pyridinium and meta-alkoxypyridinium ions

Journal of Molecular Structure: THEOCHEM
2007 | Journal article
DOI: 10.1016/j.theochem.2006.12.001
EID:

2-s2.0-33847161689

Part of ISSN: 01661280
Contributors: Grove, K.; King, R.A.; Burger, U.
Source: Self-asserted source
Rollin King via Scopus - Elsevier

Software news and update PSI3: An open-source Ab Initio electronic structure package

Journal of Computational Chemistry
2007 | Journal article
DOI: 10.1002/jcc.20573
EID:

2-s2.0-34248403050

Part of ISSN: 01928651 1096987X
Contributors: Crawford, T.D.; Sherrill, C.D.; Valeev, E.F.; Fermann, J.T.; King, R.A.; Leininger, M.L.; Brown, S.T.; Janssen, C.L.; Seidl, E.T.; Kenny, J.P. et al.
Source: Self-asserted source
Rollin King via Scopus - Elsevier

The lowest A′2 excited state of the water-hydroxyl complex

Journal of Chemical Physics
2006 | Journal article
DOI: 10.1063/1.2388260
EID:

2-s2.0-33845197793

Part of ISSN: 00219606
Contributors: Crawford, T.D.; Abrams, M.L.; King, R.A.; Lane, J.R.; Schofield, D.P.; Kjaergaard, H.G.
Source: Self-asserted source
Rollin King via Scopus - Elsevier

Application of equation-of-motion coupled-cluster methods to low-lying singlet and triplet electronic states of HBO and BOH

Journal of Chemical Physics
2005 | Journal article
DOI: 10.1063/1.1927078
EID:

2-s2.0-23344446028

Part of ISSN: 00219606
Contributors: Deyonker, N.J.; Li, S.; Yamaguchi, Y.; Schaefer III, H.F.; Crawford, T.D.; King, R.A.; Peterson, K.A.
Source: Self-asserted source
Rollin King via Scopus - Elsevier

Coupled cluster methods including triple excitations for excited states of radicals

Journal of Chemical Physics
2005 | Journal article
DOI: 10.1063/1.1835953
EID:

2-s2.0-23044498612

Part of ISSN: 00219606
Contributors: Smith, C.E.; King, R.A.; Crawford, T.D.
Source: Self-asserted source
Rollin King via Scopus - Elsevier

A computational study of the structure and synthesis of formazans

Journal of Physical Chemistry A
2004 | Journal article
DOI: 10.1021/jp0400622
EID:

2-s2.0-84961977053

Part of ISSN: 10895639
Contributors: King, R.A.; Murrin, B.
Source: Self-asserted source
Rollin King via Scopus - Elsevier

Locally correlated equation-of-motion coupled cluster theory for the excited states of large molecules

Chemical Physics Letters
2002 | Journal article
DOI: 10.1016/S0009-2614(02)01639-1
EID:

2-s2.0-0037146743

Part of ISSN: 00092614
Contributors: Daniel Crawford, T.; King, R.A.
Source: Self-asserted source
Rollin King via Scopus - Elsevier

Kinetic energy functionals for molecular calculations

Molecular Physics
2001 | Journal article
DOI: 10.1080/00268970010037745
EID:

2-s2.0-0035919473

Part of ISSN: 00268976
Contributors: King, R.A.; Handy, N.C.
Source: Self-asserted source
Rollin King via Scopus - Elsevier

The Past, Present, and Future of Quantum Chemistry

Chemistry for the 21st Century
2001 | Book chapter
Contributors: T. Daniel Crawford; Steven S. Wesolowski; E. F. Valeev; Rollin King; M. L. Leininger; H. F. Schaefer
Source: Self-asserted source
Rollin King

The photohydration of N-alkylpyridinium salts: Theory and experiment

Chemistry - A European Journal
2001 | Journal article
DOI: 10.1002/1521-3765(20010417)7:8<1734::AID-CHEM17340>3.0.CO;2-0
EID:

2-s2.0-0035901627

Part of ISSN: 09476539
Contributors: King, R.A.; Lüthi, H.P.; Schaefer, H.F.; Glarner, F.; Burger, U.
Source: Self-asserted source
Rollin King via Scopus - Elsevier

Analyses of the ScO<sup>-</sup> and ScO<sub>2</sub><sup>-</sup> photoelectron spectra

Journal of Chemical Physics
2000 | Journal article
DOI: 10.1063/1.481832
EID:

2-s2.0-0034227049

Part of ISSN: 00219606
Contributors: Gonzales, J.M.; King, R.A.; Schaefer III, H.F.
Source: Self-asserted source
Rollin King via Scopus - Elsevier

Coupled-cluster electronic spectra for the Ca<sup>+</sup>-acetylene π complex and comparisons to its alkaline earth analogs

Journal of Chemical Physics
2000 | Journal article
DOI: 10.1063/1.481845
EID:

2-s2.0-0034230212

Part of ISSN: 00219606
Contributors: Wesolowski, S.S.; King, R.A.; Schaefer III, H.F.; Duncan, M.A.
Source: Self-asserted source
Rollin King via Scopus - Elsevier

Kinetic energy functionals from the Kohn-Sham potential

Physical Chemistry Chemical Physics
2000 | Journal article
DOI: 10.1039/b005896n
EID:

2-s2.0-0034669020

Part of ISSN: 14639076
Contributors: King, R.A.; Handy, N.C.
Source: Self-asserted source
Rollin King via Scopus - Elsevier

On apparent quantized transition-state thresholds in the photofragmentation of acetaldehyde

Journal of Chemical Physics
2000 | Journal article
DOI: 10.1063/1.481598
EID:

2-s2.0-0000443697

Part of ISSN: 00219606
Contributors: King, R.A.; Allen, W.D.; Schaefer III, H.F.
Source: Self-asserted source
Rollin King via Scopus - Elsevier

The not-so-peculiar case of calcium oxide: A weakness in atomic natural orbital basis sets for calcium

Molecular Physics
2000 | Journal article
DOI: 10.1080/00268970050080582
EID:

2-s2.0-0034692158

Part of ISSN: 00268976
Contributors: Wesolowski, S.S.; Valeev, E.F.; King, R.A.; Baranovski, V.; Schaefer III, H.F.
Source: Self-asserted source
Rollin King via Scopus - Elsevier

Conformations of [10]annulene: More bad news for density functional theory and second-order perturbation theory

Journal of the American Chemical Society
1999 | Journal article
DOI: 10.1021/ja991429x
EID:

2-s2.0-0033601062

Part of ISSN: 00027863
Contributors: King, R.A.; Crawford, T.D.; Stanton, J.F.; Schaefer III, H.F.
Source: Self-asserted source
Rollin King via Scopus - Elsevier

The structures, electron affinities, and energetic stabilities of TiO<sub>n</sub> and TiO<sup>-</sup><sub>n</sub> (n = 1-3)

Journal of Chemical Physics
1999 | Journal article
DOI: 10.1063/1.478418
EID:

2-s2.0-0001453651

Part of ISSN: 00219606
Contributors: Walsh, M.B.; King, R.A.; Schaefer III, H.F.
Source: Self-asserted source
Rollin King via Scopus - Elsevier

Formation of CF3O− in the gas phase

The Journal of Chemical Physics
1999-05-01 | Journal article
DOI: 10.1063/1.478753
Part of ISSN: 0021-9606
Part of ISSN: 1089-7690
Contributors: Robert A. Morris; Thomas M. Miller; John F. Paulson; A. A. Viggiano; Michael T. Feldmann; Rollin A. King; Henry F. Schaefer
Source: Self-asserted source
Rollin King

Experimental and ab initio study of the infrared spectra of ionic species derived from SF<sub>6</sub> and SF<sub>4</sub> and trapped in solid neon

Journal of Chemical Physics
1998 | Journal article
DOI: 10.1063/1.476440
EID:

2-s2.0-0032094751

Part of ISSN: 00219606
Contributors: Lugez, C.L.; Jacox, M.E.; King, R.A.; Schaefer III, H.F.
Source: Self-asserted source
Rollin King via Scopus - Elsevier

Fragmentation surface of triplet ketene

Faraday Discussions
1998 | Journal article
DOI: 10.1039/a801187g
EID:

2-s2.0-2742511477

Part of ISSN: 13596640
Contributors: King, R.A.; Allen, W.D.; Ma, B.; Schaefer III, H.F.
Source: Self-asserted source
Rollin King via Scopus - Elsevier

Molecular geometry and vibrational frequency predictions from the CISD[TQ] wavefunction: The water molecule

Spectrochimica Acta - Part A: Molecular and Biomolecular Spectroscopy
1997 | Journal article
DOI: 10.1016/S1386-1425(97)00023-1
EID:

2-s2.0-4243733416

Part of ISSN: 13861425
Contributors: King, R.A.; Sherrill, C.D.; Schaefer III, H.F.
Source: Self-asserted source
Rollin King via Scopus - Elsevier

The electron affinities of the perfluorocarbons C2Fn, n=1–6

The Journal of Chemical Physics
1997-11-22 | Journal article
DOI: 10.1063/1.475005
Part of ISSN: 0021-9606
Part of ISSN: 1089-7690
Contributors: Rollin A. King; Nathan D. Pettigrew; Henry F. Schaefer
Source: Self-asserted source
Rollin King
grade
Preferred source (of 2)‎

Negative ion thermochemistry: The sulfur fluorides SF<sub>n</sub>/SF<sub>n</sub><sup>-</sup> (n = 1-7)

Journal of Physical Chemistry
1996 | Journal article
DOI: 10.1021/jp9526051
EID:

2-s2.0-0030123812

Part of ISSN: 00223654
Contributors: King, R.A.; Galbraith, J.M.; Schaefer III, H.F.
Source: Self-asserted source
Rollin King via Scopus - Elsevier

The electron affinities of the silicon fluorides SiF<sub>n</sub> (n=1-5)

Journal of Chemical Physics
1996 | Journal article
DOI: 10.1063/1.471846
EID:

2-s2.0-0001481856

Part of ISSN: 00219606
Contributors: King, R.A.; Mastryukov, V.S.; Schaefer III, H.F.
Source: Self-asserted source
Rollin King via Scopus - Elsevier

1,3,5-Trisilabenzene: has it been synthesized?

Journal of Molecular Structure: THEOCHEM
1995-12 | Journal article
DOI: 10.1016/0166-1280(95)04334-9
Part of ISSN: 0166-1280
Contributors: Rollin A King; George Vacek; Henry F Schaefer
Source: Self-asserted source
Rollin King
grade
Preferred source (of 2)‎

Peer review (3 reviews for 2 publications/grants)

Review activity for Journal of chemical physics. (1)
Review activity for The journal of physical chemistry. (2)
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