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Femtosecond X-ray Spectroscopy Directly Quantifies Transient Excited State Mixed Valency and Subsequent Vibronic Dynamics

Chelsea Liekhus-Schmaltz, Zachary Fox, Amity Andersen, Kasper Kjaer, Roberto Alonso-Mori, Elisa Biasin, Julia Carlstad, Matthieu Chollet, James Gaynor, James Glownia, Kiryong Hong, Thomas Kroll, Jae Hyuk Lee, Benjamin Poulter, Marco Reinhard, Dimosthenis Sokaras, Yu Zhang, Gilles Doumy, Anne-Marie March, Stephen Southworth, Shaul Mukamel, Amy Cordones-Hahn, Robert Schoenlein, Niranjan Govind, Munira Khalil

Version 1 posted 16 July 2021

531

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Physical Chemistry

Working Paper

Conical Intersections Studied by the Configuration-Interaction-Corrected Tamm-Dancoff Method

Lei Xu, Victor M. Freixas, Flavia Aleotti, Donald G. Truhlar, Sergei Tretiak, Marco Garavelli, Shaul Mukamel, Niranjan Govind

Version 1 posted 03 January 2025

343

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Physical Chemistry

Working Paper

Cavity Quantum Electrodynamics Complete Active Space Configuration Interaction Theory

Nam Vu, Daniel Mejia-Rodriguez, Nicholas Bauman, Ajay Panyala, Erdal Mutlu, Niranjan Govind, Jonathan Foley

Version 1 posted 01 November 2023

478

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Physical Chemistry

Working Paper

Capturing Coupled Structural and Electronic Motions During Excited-State Intramolecular Proton Transfer via Computational Multi-edge Resonant Inelastic X-ray Scattering

Amke Nimmrich, Niranjan Govind, Munira Khalil

Version 1 posted 16 September 2024

198

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Theoretical and Computational Chemistry

Working Paper

Accelerating Instanton Theory with the Line Integral Nudged Elastic Band Method and Gaussian Process Regression

Chenghao Zhang, Amke Nimmrich, Britta A. Johnson, Gregory K. Schenter, Munira Khalil, Niranjan Govind

Version 1 posted 15 April 2025

118

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Materials Chemistry

Working Paper

Unsupervised Machine Learning for Unbiased Chemical Classification in X-ray Absorption Spectroscopy and X-ray Emission Spectroscopy

Samantha Tetef, Niranjan Govind, Gerald Seidler

Version 1 posted 21 June 2021

888

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Physical Chemistry

Working Paper

Informed Chemical Classification of Organophosphorus Compounds via Unsupervised Machine Learning of X-ray Absorption Spectroscopy and X-ray Emission Spectroscopy

Samantha Tetef, Vikram Kashyap, Alexandra Velian, Niranjan Govind, Gerald Seidler

Version 1 posted 23 February 2022

345

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Inorganic Chemistry

Working Paper

The Evolution of Solvation Symmetry and Composition in Zn Halide Aqueous Solutions from Dilute to Extreme Concentrations

Gerald Seidler, Diwash Dhakal, Darren Driscoll, Niranjan Govind, Andrew Stack, Nikhil Rampal, Gregory Schenter, Christopher Mundy, Timothy Fister, John Fulton, Mahaling Balasubramanian

Version 1 posted 20 March 2023

399

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8 results in Niranjan Govind in Authors: Niranjan Govind

Femtosecond X-ray Spectroscopy Directly Quantifies Transient Excited State Mixed Valency and Subsequent Vibronic Dynamics

Conical Intersections Studied by the Configuration-Interaction-Corrected Tamm-Dancoff Method

Cavity Quantum Electrodynamics Complete Active Space Configuration Interaction Theory

Capturing Coupled Structural and Electronic Motions During Excited-State Intramolecular Proton Transfer via Computational Multi-edge Resonant Inelastic X-ray Scattering

Accelerating Instanton Theory with the Line Integral Nudged Elastic Band Method and Gaussian Process Regression

Unsupervised Machine Learning for Unbiased Chemical Classification in X-ray Absorption Spectroscopy and X-ray Emission Spectroscopy

Informed Chemical Classification of Organophosphorus Compounds via Unsupervised Machine Learning of X-ray Absorption Spectroscopy and X-ray Emission Spectroscopy

The Evolution of Solvation Symmetry and Composition in Zn Halide Aqueous Solutions from Dilute to Extreme Concentrations

8 results in Authors: Niranjan Govind