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Physical Chemistry

Working Paper

Time-Resolved Dynamics in Iodide-Uracil-Water Clusters upon Excitation of the Nucleobase

Alice Kunin, Valerie S. McGraw, Katharine G. Lunny, Daniel Neumark

Version 2 posted 17 September 2019

639

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Materials Science

Working Paper

Topology Effects in Molecular Organic Electronic Materials: Pyrene and Azupyrene

Benedikt P. Klein, Lukas Ruppenthal, Samuel J. Hall, Lars E. Sattler, Sebastian M. Weber, Jan Herritsch, Andrea Jaegermann, Reinhard Maurer, Gerhard Hilt, Michael Gottfried

Version 1 posted 11 January 2021

586

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Physical Chemistry

Working Paper

Probing the Electronic Structure of Bulk Water at the Molecular Lengthscale with Angle-Resolved Photoelectron Spectroscopy

Samer Gozem, Robert Seidel, Uwe Hergenhahn, Evgeny Lugovoy, Bernd Abel, Bernd Winter, Anna I. Krylov, Stephen E. Bradforth

Version 2 posted 20 May 2020

920

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Physical Chemistry

Working Paper

Photoelectron Spectra of Gd2O2− and Non-Monotonic Photon-Energy Dependent Variations in Populations of Close-Lying Neutral States

Jarrett L. Mason, Hassan Harb, Ali Abou Taka, Abbey McMahon, Caleb D. Huizenga, Hector H. Corzo, Hrant Hratchian, Caroline Chick Jarrold

Version 1 posted 16 November 2020

281

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Physical Chemistry

Working Paper

Unveiling the Coexistence of Cis and Trans Isomers in the Hydrolysis of ZrO2: A Coupled DFT and High-Resolution Photoelectron Spectroscopy Study

Ali Abou Taka, Mark Babin, Xianghai Sheng, Jessalyn DeVine, Daniel Neumark, Hrant Hratchian

Version 2 posted 04 December 2020

725

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Theoretical and Computational Chemistry

Working Paper

Rapid flipping between electrolyte and metallic states in ammonia solutions of alkali metals

Marco Vitek, Igor Rončević, Ondrej Marsalek, H. Christian Schewe, Pavel Jungwirth

Version 1 posted 07 June 2024

117

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1

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Materials Science

Working Paper

Electronic structure characterization by photoelectron spectroscopy of BaZrS3 perovskite powder and thin film

Stefania Riva, Soham Mukherjee, Sergei M. Butorin, Abdel R. Allan, Corrado Comparotto, Garima Aggarwal, Evelyn Johannesson, Mahmoud Abdel-Hafiez, Jonathan Scragg, Håkan Rensmo

Version 1 posted 18 January 2024

446

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Theoretical and Computational Chemistry

Working Paper

The Quest to Uncover the Nature of Benzonitrile Anion

Sahil Gulania, Thomas-C. Jagau, Andrei Sanov, Anna I. Krylov

Version 1 posted 06 December 2019

407

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Theoretical and Computational Chemistry

Working Paper

Photoemission Spectroscopy of Organic Molecules Using Plane-Wave/Pseudopoential Density Functional Theory: A Comprehensive Computational Protocol for Isolated Molecules, Molecular Aggregates and Periodic Systems

Francesco Porcelli, Emanuela Colasante, Francesco Filippone, Giuseppe Mattioli

Version 2 posted 30 October 2024

98

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Organometallic Chemistry

Working Paper

Direct Spectroscopic Identification of BN-Arynes and Subtle Steric Effects on Nitrogen Fixation

Divanshu Gupta, Constanze Keck, Christina Tönshoff, Virinder Bhagat, Raphael Strobel, Manuel Eder, Patrick Baylère, Stéphane Labat, Anna Chrostowska, Holger F. Bettinger

Version 1 posted 25 July 2023

266

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26 results in Photoelectron spectroscopy in Keywords: Photoelectron spectroscopy

Time-Resolved Dynamics in Iodide-Uracil-Water Clusters upon Excitation of the Nucleobase

Topology Effects in Molecular Organic Electronic Materials: Pyrene and Azupyrene

Probing the Electronic Structure of Bulk Water at the Molecular Lengthscale with Angle-Resolved Photoelectron Spectroscopy

Photoelectron Spectra of Gd2O2− and Non-Monotonic Photon-Energy Dependent Variations in Populations of Close-Lying Neutral States

Unveiling the Coexistence of Cis and Trans Isomers in the Hydrolysis of ZrO2: A Coupled DFT and High-Resolution Photoelectron Spectroscopy Study

Rapid flipping between electrolyte and metallic states in ammonia solutions of alkali metals

Electronic structure characterization by photoelectron spectroscopy of BaZrS3 perovskite powder and thin film

The Quest to Uncover the Nature of Benzonitrile Anion

Photoemission Spectroscopy of Organic Molecules Using Plane-Wave/Pseudopoential Density Functional Theory: A Comprehensive Computational Protocol for Isolated Molecules, Molecular Aggregates and Periodic Systems

Direct Spectroscopic Identification of BN-Arynes and Subtle Steric Effects on Nitrogen Fixation

26 results in Keywords: Photoelectron spectroscopy