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Theoretical and Computational Chemistry

Working Paper

∆SCF Dyson Orbitals and Pole Strengths from Natural Ionization Orbitals

Hassan Harb, Hrant Hratchian

Version 1 posted 14 December 2020

422

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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

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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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

High Resolution Photoelectron Spectroscopy of the Acetyl Anion

Marty DeWitt, Mark Babin, Jascha Lau, Tonia Solomis, Daniel Neumark

Version 1 posted 01 September 2022

182

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Inorganic Chemistry

Working Paper

Theoretical Photoelectron Spectroscopy of Metal-Metal Quintuple Bonds: Relativity-Driven Reordering of Frontier Orbitals

Abhik Ghosh, Jeanet Conradie

Version 1 posted 09 January 2024

126

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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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Physical Chemistry

Working Paper

Extreme Ultraviolet Time-Resolved Photoelectron Spectroscopy of Adenine, Adenosine and Adenosine Monophosphate in a Liquid Flat Jet

Masafumi Koga, Do Hyung Kang, Zachary N. Heim, Philipp Meyer, Blake A. Erickson, Neal Haldar, Negar Baradaran, Martina Havenith, Daniel M. Neumark

Version 2 posted 19 March 2024

411

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Theoretical and Computational Chemistry

Working Paper

Theoretical Photoelectron Spectroscopy of Quadruple-Bonded Dimolybdenum(II) and Ditungsten(II) Paddlewheel Complexes: Performance of Common Density Functional Theory Methods

Abhik Ghosh, Jeanet Conradie

Version 1 posted 05 January 2024

110

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1

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Refine Search

26 results in Photoelectron Spectroscopy in Keywords: Photoelectron Spectroscopy

∆SCF Dyson Orbitals and Pole Strengths from Natural Ionization Orbitals

Topology Effects in Molecular Organic Electronic Materials: Pyrene and Azupyrene

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

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

High Resolution Photoelectron Spectroscopy of the Acetyl Anion

Theoretical Photoelectron Spectroscopy of Metal-Metal Quintuple Bonds: Relativity-Driven Reordering of Frontier Orbitals

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

Extreme Ultraviolet Time-Resolved Photoelectron Spectroscopy of Adenine, Adenosine and Adenosine Monophosphate in a Liquid Flat Jet

Theoretical Photoelectron Spectroscopy of Quadruple-Bonded Dimolybdenum(II) and Ditungsten(II) Paddlewheel Complexes: Performance of Common Density Functional Theory Methods

26 results in Keywords: Photoelectron Spectroscopy