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The Journal of Chemical Physics|December 24, 2015
The consequences of improperly describing oscillator strengths beyond the electric dipole approximationPatrick J Lestrange, Franco Egidi, Xiaosong LiJournal of Chemical Theory and Computation|November 18, 2015
Calibration of Energy-Specific TDDFT for Modeling K-edge XAS Spectra of Light ElementsPatrick J Lestrange, Phu D Nguyen, Xiaosong LiJournal of Chemical Theory and Computation|March 22, 2018
Modeling L<sub>2,3</sub>-Edge X-ray Absorption Spectroscopy with Real-Time Exact Two-Component Relativistic Time-Dependent Density Functional TheoryJoseph M Kasper, Patrick J Lestrange, Torin F Stetina, et al.Journal of Chemical Theory and Computation|November 18, 2015
Energy-Specific Equation-of-Motion Coupled-Cluster Methods for High-Energy Excited States: Application to K-edge X-ray Absorption SpectroscopyBo Peng, Patrick J Lestrange, Joshua J Goings, et al.Journal of Chemical Theory and Computation|January 4, 2018
Efficient Implementation of Variation after Projection Generalized Hartree-FockPatrick J Lestrange, David B Williams-Young, Alessio Petrone, et al.Journal of Chemical Theory and Computation|November 19, 2015
Density of States Guided Møller-Plesset Perturbation TheoryPatrick J Lestrange, Bo Peng, Feizhi Ding, et al.The Journal of Physical Chemistry. A|February 17, 2017
Can Excited State Electronic Coherence Be Tuned via Molecular Structural Modification? A First-Principles Quantum Electronic Dynamics Study of Pyrazolate-Bridged Pt(II) DimersDavid B Lingerfelt, Patrick J Lestrange, Joseph J Radler, et al.Faraday Discussions|October 7, 2016
Imaging ultrafast excited state pathways in transition metal complexes by X-ray transient absorption and scattering using X-ray free electron laser sourceLin X Chen, Megan L Shelby, Patrick J Lestrange, et al.Journal of the American Chemical Society|June 11, 2016
Ultrafast Excited State Relaxation of a Metalloporphyrin Revealed by Femtosecond X-ray Absorption SpectroscopyMegan L Shelby, Patrick J Lestrange, Nicholas E Jackson, et al.Proceedings of the National Academy of Sciences of the United States of America|March 30, 2021
Interplays of electron and nuclear motions along CO dissociation trajectory in myoglobin revealed by ultrafast X-rays and quantum dynamics calculationsMegan L Shelby, Andrew Wildman, Dugan Hayes, et al.Pageof 1