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William L. Hase

Texas Tech University System

74H-index
510Paper Count
2.3WCitation Count
Published Papers 126
Publication Date
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Direct Dynamics Simulations of Hyperthermal O(3P) Collisions with Pristine, Defected, Oxygenated, and Nitridated Graphene Surfaces
errJOURNAL OF PHYSICAL CHEMISTRY C
IF3.2
err2021-04-30
err13
PREAI
errJayee, Bhumika; Nieman, Reed; Minton, Timothy K.; Hase, William L.; Guo, Hua
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Sampling initial positions and momenta for nuclear trajectories from quantum mechanical distributions
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2021-02-19
err8
PREAI
errYao, Yuxuan; Hase, William L.; Granucci, Giovanni; Persico, Maurizio
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Unimolecular Fragmentation Properties of Thermometer Ions from Chemical Dynamics Simulations
errJOURNAL OF THE AMERICAN SOCIETY FOR MASS SPECTROMETRY
IF2.7
err2020-11-19
err6
errOAAI
errMalik, Abdul; Spezia, Riccardo; Hase, William L.
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Exploring reactivity and product formation in N(4S) collisions with pristine and defected graphene with direct dynamics simulations
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2020-11-10
err15
errOAAI
errNieman, Reed; Spezia, Riccardo; Jayee, Bhumika; Minton, Timothy K.; Hase, William L.; Guo, Hua
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Comparison of intermolecular energy transfer from vibrationally excited benzene in mixed nitrogen-benzene baths at 140 K and 300 K
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2020-10-13
err5
errOAAI
errAhamed, Sk Samir; Kim, Hyunsik; Paul, Amit K.; West, Niclas A.; Winner, Joshua D.; Donzis, Diego A.; North, Simon W.; Hase, William L.
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Nonstatistical Reaction Dynamics
errANNUAL REVIEW OF PHYSICAL CHEMISTRY
IF0
err2020-04-20
err24
PREAI
errJayee, Bhumika; Hase, William L.
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The generality of the GUGA MRCI approach in COLUMBUS for treating complex quantum chemistry
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2020-04-06
err62
errOAAI
errLischka, Hans; Shepard, Ron; Mueller, Thomas; Szalay, Peter G.; Pitzer, Russell M.; Aquino, Adelia J. A.; Araujo do Nascimento, Mayzza M.; Barbatti, Mario; Belcher, Lachlan T.; Blaudeau, Jean-Philippe; Borges, Itamer; Brozell, Scott R.; Carter, Emily A.; Das, Anita; Gidofalvi, Gergely; Gonzalez, Leticia; Hase, William L.; Kedziora, Gary; Kertesz, Miklos; Kossoski, Fabris; Machado, Francisco B. C.; Matsika, Spiridoula; do Monte, Silmar A.; Nachtigallova, Dana; Nieman, Reed; Oppel, Markus; Parish, Carol A.; Plasser, Felix; Spada, Rene F. K.; Stahlberg, Eric A.; Ventura, Elizete; Yarkony, David R.; Zhang, Zhiyong
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Editorial: Application of Optimization Algorithms in Chemistry
errFRONTIERS IN CHEMISTRY
IF4.2
err2020-03-20
err1
errOAAI
errMarques, Jorge M. C.; Martinez-Nunez, Emilio; Hase, William L.
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Direct Dynamics Simulations of the Thermal Fragmentation of a Protonated Peptide Containing Arginine
errACS OMEGA
IF4.3
err2020-01-10
err5
errOAAI
errGu, Meng; Zhang, Jiaxu; Hase, William L.; Yang, Li
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Role of Chemical Dynamics Simulations in Mass Spectrometry Studies of Collision-Induced Dissociation and Collisions of Biological Ions with Organic Surfaces
errJOURNAL OF THE AMERICAN SOCIETY FOR MASS SPECTROMETRY
IF2.7
err2019-12-10
err27
errOAAI
errMartin Somer, Ana; Macaluso, Veronica; Barnes, George L.; Yang, Li; Pratihar, Subha; Song, Kihyung; Hase, William L.; Spezia, Riccardo
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Is CH3NC isomerization an intrinsic non-RRKM unimolecular reaction?
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2019-11-14
err4
errOAAI
errJayee, Bhumika; Malpathak, Shreyas; Ma, Xinyou; Hase, William L.
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Energy Transfer of Peptide Ions Colliding with a Self-Assembled Monolayer Surface. The Influence of Peptide Ion Size
errCHINESE JOURNAL OF CHEMISTRY
IF5.5
err2019-02-06
err2
PREAI
errGu, Meng; Yang, Li; Hase, William L.; Sun, Jianmin; Zhang, Jiaxu
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Exploratory Direct Dynamics Simulations of 3O2 Reaction with Graphene at High Temperatures
errJOURNAL OF PHYSICAL CHEMISTRY C
IF3.2
err2018-11-27
err21
PREAI
errHariharan, Seenivasan; Majumder, Moumita; Edel, Ross; Grabnic, Tim; Sibener, S. J.; Hase, William L.
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A quantum mechanical insight into SN2 reactions: Semiclassical initial value representation calculations of vibrational features of the Cl-•••CH3Cl pre-reaction complex with the VENUS suite of codes
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2018-10-31
err18
errOAAI
errMa, Xinyou; Di Liberto, Giovanni; Conte, Riccardo; Hase, William L.; Ceotto, Michele
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Addressing an instability in unrestricted density functional theory direct dynamics simulations
errJOURNAL OF COMPUTATIONAL CHEMISTRY
IF4.8
err2018-10-26
err3
PREAI
errMalpathak, Shreyas; Ma, Xinyou; Hase, William L.
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Non-statistical intermolecular energy transfer from vibrationally excited benzene in a mixed nitrogen-benzene bath
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2018-10-01
err15
errOAAI
errPaul, Amit K.; West, Niclas A.; Winner, Joshua D.; Bowersox, Rodney D. W.; North, Simon W.; Hase, William L.
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How a Solvent Molecule Affects Competing Elimination and Substitution Dynamics. Insight into Mechanism Evolution with Increased Solvation
errJOURNAL OF THE AMERICAN CHEMICAL SOCIETY
IF15.6
err2018-07-03
err48
PREAI
errLiu, Xu; Zhang, Jiaxu; Yang, Li; Hase, William L.
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Anharmonic Densities of States for Vibrationally Excited I-(H2O), (H2O)2, and I-(H2O)2
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2018-06-26
err8
PREAI
errMa, Xinyou; Yang, Nan; Johnson, Mark A.; Hase, William L.
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Chemical Dynamics Simulations and Scattering Experiments for O2 Collisions with Graphite
errJOURNAL OF PHYSICAL CHEMISTRY C
IF3.2
err2018-06-21
err26
PREAI
errMajumder, Moumita; Gibson, K. D.; Sibener, S. J.; Hase, William L.
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Nascent energy distribution of the Criegee intermediate CH2OO from direct dynamics calculations of primary ozonide dissociation
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2018-05-04
err40
errOAAI
errPfeifle, Mark; Ma, Yong-Tao; Jasper, Ahren W.; Harding, Lawrence B.; Hase, William L.; Klippenstein, Stephen J.
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Research Directions

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Co-authors
Cooperation Journals
李
李数 (S. Li)
H-index: 172 · Papers: 2.7K
R
Richard N. Zare
H-index: 137 · Papers: 1.5K
J
James T. Becker
H-index: 107 · Papers: 843
E
Emily A. Carter
H-index: 102 · Papers: 718
谷
谷猛 (Meng Gu)
H-index: 100 · Papers: 417
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