TTU Home Chemistry and Biochemistry Home Journal Covers

Journal Covers

Theoretical and Computational Studies of Non-Equilibrium and Non-Statistical Dynamics in the Gas Phase, in the Condensed Phase and Interfaces

Edited by Riccardo Spezia, Emilio M-Nuñez, Saulo Vazquez, William L. Hase

Philosophical Transactions of the Royal Society A 375, (2017)

Contributed Article  Perspective : Chemical Dynamics Simulations of Non-Statistical Reaction Dynamics

Xinyou Ma and William L. Hase, pp 20160204

Chemical Dynamics Simulations of Energy Transfer, Surface-Induced Dissociation, Soft-Landing, and Reactive-Landing in Collisions of Protonated Peptide Ions with Organic Surfaces

Subha Pratihar, George L. Barnes, and William L. Hase

Chemical Society Review 45, 3595 (2016)

Mechanistic Details of Energy Transfer and Soft Landing in ala2-H+ Collisions with a F-SAM Surface

Subha Pratihar, Neill Kim, Swapnil C. Kohale and William L. Hase

Physical Chemistry Chemical Physics 17, 24576 (2015)

Indirect Dynamics in a Highly Exoergic Substitution Reaction

Jochen Mikosch, Jiaxu Zhang, Sebastian Trippel, Christoph Eichhorn, Rico Otto, Rui Sun, Wibe A. de Jong, Matthias Weidem, William L. Hase, and Roland Wester

Journal of the American Chemical Society 135, 4250 (2013)

Chemical Dynamics Simulations of X- + CH3Y --> XCH3 + Y- Gas-Phase SN2 Nucleophilic Substitution Reactions. Nonstatistical Dynamics and Nontraditional Reaction Mechanisms

Paranjothy Manikandan, Jiaxu Zhang, and William L. Hase

The Journal of Physical Chemistry A 116, 3061 (2012)

Use of Direct Dynamics Simulations to Determine Unimolecular Reaction Paths and Arrhenius Parameters for Large Molecules

Li Yang, Rui Sun, and William L. Hase

Journal of Chemical Theory and Computation 7, 3478 (2011)

Ab Initio and Analytic Intermolecular Potentials for Ar-CH3OH

Uros Tasic, Yuri Alexeev, Grigoriy Vayner, T. Daniel Crawford, Theresa L. Windus and William L. Hase

Physical Chemistry Chemical Physics 8, 4678 (2006)

Chemical Dynamics Simulations in the Gas Phase and on Complex Surfaces A Tribute to William Hase

Mary T. Rodgers and Gang-yu Liu

The Journal of Physical Chemistry A 110, 1201 (2006)