William L Hase (W L Hase)

Scopus Author ID ORCID

Publication Activity (10 Years)

Years Active: 2017-2021
Publications (10 Years): 31

Top Topics

Room Temperature

Energy Transfer

Molecular Dynamics

Top Venues

The journal of physical chemistry. A

The Journal of chemical physics

The journal of physical chemistry letters

Journal of the American Society for Mass Spectrometry

This page only lists publications with an associated author ORCID identifier.

Publications

Lakshmanan Sandhiya, Subha Pratihar, William L Hase
Direct Dynamics Simulations of the 3CH2 + 3O2 Reaction at High Temperature. The journal of physical chemistry. A 125 (2) (2021)
Yuxuan Yao, Lakshmanan Sandhiya, Subha Pratihar, William L Hase
Direct Dynamics Simulations of the Unimolecular Decomposition of the Randomly Excited 1CH2O2 Criegee Intermediate. Comparison with 3CH2 + 3O2 Reaction Dynamics. The journal of physical chemistry. A 124 (9) (2020)
Alexander Kaiser, Bhumika Jayee, Yuxuan Yao, Xinyou Ma, Roland Wester, William L Hase
Time-Dependent Perspective for the Intramolecular Couplings of the N-H Stretches of Protonated Tryptophan. The journal of physical chemistry. A 124 (20) (2020)
Philip W Smith, Bhumika Jayee, William L Hase
Comparison of Exponential and Biexponential Models of the Unimolecular Decomposition Probability for the Hinshelwood-Lindemann Mechanism. The journal of physical chemistry letters 11 (7) (2020)
Yuheng Luo, Kazuumi Fujioka, Alyson Shoji, William L Hase, Karl-Michael Weitzel, Rui Sun
Theoretical Study of the Dynamics of the HBr+ + CO2 → HOCO+ + Br Reaction. The journal of physical chemistry. A 124 (44) (2020)
Debdutta Chakraborty, Hans Lischka, William L Hase
Dynamics of Pyrene-Dimer Association and Ensuing Pyrene-Dimer Dissociation. The journal of physical chemistry. A 124 (43) (2020)
Abdul Malik, Laurence A Angel, Riccardo Spezia, William L Hase
Collisional dynamics simulations revealing fragmentation properties of Zn(ii)-bound poly-peptide. Physical chemistry chemical physics : PCCP 22 (26) (2020)
Abdul Malik, Riccardo Spezia, William L Hase
Unimolecular Fragmentation Properties of Thermometer Ions from Chemical Dynamics Simulations. Journal of the American Society for Mass Spectrometry 32 (1) (2020)
Lakshmanan Sandhiya, Subha Pratihar, William L Hase
Direct Dynamics Simulations of the CH2 + O2 Reaction on the Ground- and Excited-State Singlet Surfaces. The journal of physical chemistry. A 123 (20) (2019)
Bhumika Jayee, Shreyas Malpathak, Xinyou Ma, William L Hase
Is CH3NC isomerization an intrinsic non-RRKM unimolecular reaction? The Journal of chemical physics 151 (18) (2019)
Hyunsik Kim, Hum Nath Bhandari, Subha Pratihar, William L Hase
Chemical Dynamics Simulation of Energy Transfer: Propylbenzene Cation and N2 Collisions. The journal of physical chemistry. A 123 (12) (2019)
Abdul Malik, Yu-Fu Lin, Subha Pratihar, Laurence A Angel, William L Hase
Direct Dynamics Simulations of Fragmentation of a Zn(II)-2Cys-2His Oligopeptide. Comparison with Mass Spectrometry Collision-Induced Dissociation. The journal of physical chemistry. A 123 (32) (2019)
Ana Martin Somer, Veronica Macaluso, George L Barnes, Li Yang, Subha Pratihar, Kihyung Song, William L Hase, Riccardo Spezia
Role of Chemical Dynamics Simulations in Mass Spectrometry Studies of Collision-Induced Dissociation and Collisions of Biological Ions with Organic Surfaces. Journal of the American Society for Mass Spectrometry 31 (1) (2019)
Lakshmanan Sandhiya, Rene F K Spada, Francisco B C Machado, William L Hase
Potential Energy Curves for Formation of the CH2O2 Criegee Intermediate on the 3CH2 + 3O2 Singlet and Triplet Potential Energy Surfaces. The journal of physical chemistry. A 123 (41) (2019)
Shreyas Malpathak, William L Hase
Unimolecular Rate Constants versus Energy and Pressure as a Convolution of Unimolecular Lifetime and Collisional Deactivation Probabilities. Analyses of Intrinsic Non-RRKM Dynamics. The journal of physical chemistry. A 123 (10) (2019)
Veronica Macaluso, Debora Scuderi, Maria Elisa Crestoni, Simonetta Fornarini, Davide Corinti, Enzo Dalloz, Emilio Martínez-Núñez, William L Hase, Riccardo Spezia
l-Cysteine Modified by S-Sulfation: Consequence on Fragmentation Processes Elucidated by Tandem Mass Spectrometry and Chemical Dynamics Simulations. The journal of physical chemistry. A 123 (17) (2019)
Mark Pfeifle, Yong-Tao Ma, Ahren W Jasper, Lawrence B Harding, William L Hase, Stephen J Klippenstein
Nascent energy distribution of the Criegee intermediate CH2OO from direct dynamics calculations of primary ozonide dissociation. The Journal of chemical physics 148 (17) (2018)
Lakshmanan Sandhiya, Subha Pratihar, Francisco B C Machado, William L Hase
Direct Dynamics Simulation of the Thermal 3CH2 + 3O2 Reaction. Rate Constant and Product Branching Ratios. The journal of physical chemistry. A 122 (21) (2018)
Xu Liu, Jiaxu Zhang, Li Yang, William L Hase
How a Solvent Molecule Affects Competing Elimination and Substitution Dynamics. Insight into Mechanism Evolution with Increased Solvation. Journal of the American Chemical Society 140 (35) (2018)
Xinyou Ma, Nan Yang, Mark A Johnson, William L Hase
Anharmonic Densities of States for Vibrationally Excited I-(H2O), (H2O)2, and I-(H2O)2. Journal of chemical theory and computation 14 (8) (2018)
Swapnil C Kohale, Subha Pratihar, William L Hase
Chemical Dynamics Simulations of Thermal Desorption of Protonated Dialanine from a Perfluorinated Self-Assembled Monolayer Surface. The journal of physical chemistry letters 9 (7) (2018)
Xinyou Ma, Giovanni Di Liberto, Riccardo Conte, William L Hase, Michele Ceotto
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. The Journal of chemical physics 149 (16) (2018)
Ana Martin-Somer, Jonathan K Martens, Josipa Grzetic, William L Hase, Jos Oomens, Riccardo Spezia
Unimolecular Fragmentation of Deprotonated Diproline [Pro2-H]- Studied by Chemical Dynamics Simulations and IRMPD Spectroscopy. The journal of physical chemistry. A 122 (10) (2018)
H N Bhandari, Xinyou Ma, Amit Kumar Paul, P Smith, William L Hase
PSO Method for Fitting Analytic Potential Energy Functions. Application to I-(H2O). Journal of chemical theory and computation 14 (3) (2018)
Yannick Jeanvoine, Antonio Largo, William L Hase, Riccardo Spezia
Gas Phase Synthesis of Protonated Glycine by Chemical Dynamics Simulations. The journal of physical chemistry. A 122 (3) (2018)
Subha Pratihar, Xinyou Ma, Jing Xie, Rebecca Scott, Eric Gao, Branko Ruscic, Adelia J A Aquino, Donald W Setser, William L Hase
Post-transition state dynamics and product energy partitioning following thermal excitation of the F⋯HCH2CN transition state: Disagreement with experiment. The Journal of chemical physics 147 (14) (2018)
Shreyas Malpathak, Xinyou Ma, William L Hase
Direct dynamics simulations of the unimolecular dissociation of dioxetane: Probing the non-RRKM dynamics. The Journal of chemical physics 148 (16) (2018)
Amit K Paul, Niclas A West, Joshua D Winner, Rodney D W Bowersox, Simon W North, William L Hase
Non-statistical intermolecular energy transfer from vibrationally excited benzene in a mixed nitrogen-benzene bath. The Journal of chemical physics 149 (13) (2018)
Xu Liu, Jing Xie, Jiaxu Zhang, Li Yang, William L Hase
Steric Effects of Solvent Molecules on SN2 Substitution Dynamics. The journal of physical chemistry letters 8 (8) (2017)
Hyunsik Kim, Biswajit Saha, Subha Pratihar, Moumita Majumder, William L Hase
Chemical Dynamics Simulations of Energy Transfer for Propylbenzene Cation and He Collisions. The journal of physical chemistry. A 121 (40) (2017)
Amit Kumar Paul, Diego Donzis, William L Hase
Collisional Intermolecular Energy Transfer from a N2 Bath at Room Temperature to a Vibrationlly "Cold" C6F6 Molecule Using Chemical Dynamics Simulations. The journal of physical chemistry. A 121 (21) (2017)