Excited State Absorption from Real-Time Time-Dependent Density Functional Theory
Fischer, Sean A, Cramer, Christopher J, Govind, Niranjan
Published in Journal of chemical theory and computation (08.09.2015)
Published in Journal of chemical theory and computation (08.09.2015)
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Journal Article
Energy-Specific Linear Response TDHF/TDDFT for Calculating High-Energy Excited States
Liang, Wenkel, Fischer, Sean A, Frisch, Michael J, Li, Xiaosong
Published in Journal of chemical theory and computation (08.11.2011)
Published in Journal of chemical theory and computation (08.11.2011)
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Journal Article
Regarding the validity of the time-dependent Kohn-Sham approach for electron-nuclear dynamics via trajectory surface hopping
Fischer, Sean A, Habenicht, Bradley F, Madrid, Angeline B, Duncan, Walter R, Prezhdo, Oleg V
Published in The Journal of chemical physics (14.01.2011)
Published in The Journal of chemical physics (14.01.2011)
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Journal Article
Excited-state absorption in tetrapyridyl porphyrins: comparing real-time and quadratic-response time-dependent density functional theory
Bowman, David N, Asher, Jason C, Fischer, Sean A, Cramer, Christopher J, Govind, Niranjan
Published in Physical chemistry chemical physics : PCCP (2017)
Published in Physical chemistry chemical physics : PCCP (2017)
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Journal Article
Insertion of the Liquid Crystal 5CB into Monovacancy Graphene
Brown, Paul A, Kołacz, Jakub, Fischer, Sean A, Spillmann, Christopher M, Gunlycke, Daniel
Published in Molecules (Basel, Switzerland) (03.03.2022)
Published in Molecules (Basel, Switzerland) (03.03.2022)
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Journal Article
Ab Initio Nonadiabatic Molecular Dynamics of Wet-Electrons on the TiO2 Surface
Fischer, Sean A, Duncan, Walter R, Prezhdo, Oleg V
Published in Journal of the American Chemical Society (28.10.2009)
Published in Journal of the American Chemical Society (28.10.2009)
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Journal Article
Ice-nucleating bacteria control the order and dynamics of interfacial water
Pandey, Ravindra, Usui, Kota, Livingstone, Ruth A, Fischer, Sean A, Pfaendtner, Jim, Backus, Ellen H G, Nagata, Yuki, Fröhlich-Nowoisky, Janine, Schmüser, Lars, Mauri, Sergio, Scheel, Jan F, Knopf, Daniel A, Pöschl, Ulrich, Bonn, Mischa, Weidner, Tobias
Published in Science advances (01.04.2016)
Published in Science advances (01.04.2016)
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Journal Article
Infrared and Raman Spectroscopy from Ab Initio Molecular Dynamics and Static Normal Mode Analysis: The C–H Region of DMSO as a Case Study
Fischer, Sean A, Ueltschi, Tyler W, El-Khoury, Patrick Z, Mifflin, Amanda L, Hess, Wayne P, Wang, Hong-Fei, Cramer, Christopher J, Govind, Niranjan
Published in The journal of physical chemistry. B (03.03.2016)
Published in The journal of physical chemistry. B (03.03.2016)
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Journal Article
Multiple Exciton Generation in Small Si Clusters: A High-Level, Ab Initio Study
Fischer, Sean A, Madrid, Angeline B, Isborn, Christine M, Prezhdo, Oleg V
Published in The journal of physical chemistry letters (07.01.2010)
Published in The journal of physical chemistry letters (07.01.2010)
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Journal Article
Effect of Structure and Hydration Level on Water Diffusion in Chitosan Membranes
Bazargan, Gloria, Fischer, Sean A., Gunlycke, Daniel
Published in Macromolecular theory and simulations (01.07.2021)
Published in Macromolecular theory and simulations (01.07.2021)
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Journal Article
Passivating ligand and solvent contributions to the electronic properties of semiconductor nanocrystals
Fischer, Sean A, Crotty, Angela M, Kilina, Svetlana V, Ivanov, Sergei A, Tretiak, Sergei
Published in Nanoscale (07.02.2012)
Published in Nanoscale (07.02.2012)
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Journal Article
Trp-Cage Folding on Organic Surfaces
Levine, Zachary A, Fischer, Sean A, Shea, Joan-Emma, Pfaendtner, Jim
Published in The journal of physical chemistry. B (20.08.2015)
Published in The journal of physical chemistry. B (20.08.2015)
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Journal Article