| 1 |
Direct Dynamics Simulations of the (CH2)-C-3 + O-3(2) Reaction at High Temperature
Lakshmanan S, Pratihar S, Hase WL
Journal of Physical Chemistry A, 125(2), 621, 2021 |
| 2 |
Time-Dependent Perspective for the Intramolecular Couplings of the N-H Stretches of Protonated Tryptophan
Kaiser A, Jayee B, Yao YX, Ma XY, Wester R, Hase WL
Journal of Physical Chemistry A, 124(20), 4062, 2020 |
| 3 |
Theoretical Study of the Dynamics of the HBr+ + CO2 -> HOCO+ + Br Reaction
Luo YH, Fujioka K, Shoji A, Hase WL, Weitzel KM, Sun R
Journal of Physical Chemistry A, 124(44), 9119, 2020 |
| 4 |
Dynamics of Pyrene-Dimer Association and Ensuing Pyrene-Dimer Dissociation
Chakraborty D, Lischka H, Hase WL
Journal of Physical Chemistry A, 124(43), 8907, 2020 |
| 5 |
Direct Dynamics Simulations of the CH2 + O-2 Reaction on the Ground- and Excited-State Singlet Surfaces
Lakshmanan S, Pratihar S, Hase WL
Journal of Physical Chemistry A, 123(20), 4360, 2019 |
| 6 |
L-Cysteine Modified by S-Sulfation: Consequence on Fragmentation Processes Elucidated by Tandem Mass Spectrometry and Chemical Dynamics Simulations
Macaluso V, Scuderi D, Crestoni ME, Fornarini S, Corinti D, Dalloz E, Martinez-Nunez E, Hase WL, Spezia R
Journal of Physical Chemistry A, 123(17), 3685, 2019 |
| 7 |
Chemical Dynamics Simulation of Energy Transfer: Propylbenzene Cation and N-2 Collisions
Kim H, Bhandari HN, Pratihar S, Hase WL
Journal of Physical Chemistry A, 123(12), 2301, 2019 |
| 8 |
Unimolecular Rate Constants versus Energy and Pressure as a Convolution of Unimolecular Lifetime and Collisional Deactivation Probabilities. Analyses of Intrinsic Non-RRKM Dynamics
Malpathak S, Hase WL
Journal of Physical Chemistry A, 123(10), 1923, 2019 |
| 9 |
Potential Energy Curves for Formation of the CH2O2 Criegee Intermediate on the (CH2)-C-3 + O-3(2) Singlet and Triplet Potential Energy Surfaces
Lakshmanan S, Spada RFK, Machado FBC, Hase WL
Journal of Physical Chemistry A, 123(41), 8968, 2019 |
| 10 |
Direct Dynamics Simulations of Fragmentation of a Zn(II)-2Cys-2His Oligopeptide. Comparison with Mass Spectrometry Collision-Induced Dissociation
Malik A, Lin YF, Pratihar S, Angel LA, Hase WL
Journal of Physical Chemistry A, 123(32), 6868, 2019 |
