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Physical Chemistry

Working Paper

On the Role of the Electron-Dipole Interaction in Photodetachment Angular Distributions

C. Annie Hart, Justin Lyle, Joseph Spellberg, Anna I. Krylov, Richard Mabbs

Version 1 posted 16 September 2021

277

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Theoretical and Computational Chemistry

Working Paper

Molecular-Orbital Framework of Two-Electron Processes: Application to Auger and Intermolecular Coulomb Decay.

Nayanthara Karippara Jayadev, Wojciech Skomorowski, Anna. I. Krylov

Version 1 posted 18 July 2023

215

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Physical Chemistry

Working Paper

Photoswitching molecules functionalized with optical cycling centers provide a novel platform for studying chemical transformations in ultracold molecules

Paweł Wójcik, Taras Khvorost, Guanming Lao, Guozhu Zhu, Antonio Macias Jr, Justin Caram, Wesley Campbell, Miguel García-Garibay, Eric Hudson, Anastassia Alexandrova, Anna Krylov

Version 1 posted 19 September 2024

132

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Theoretical and Computational Chemistry

Working Paper

Cherry-picking resolvents: Recovering the valence contribution in X-ray two-photon absorption within the core--valence-separated equation-of-motion coupled-cluster response theory

Josefine Andersen, Kaushik Nanda, Anna Krylov, Sonia Coriani

Version 1 posted 30 May 2022

153

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Theoretical and Computational Chemistry

Working Paper

Revisiting the benzene excimer using [2,2] paracyclophane model system: Experiment and theory

Omer S. Haggag, Roi Baer, Sanford Ruhman, Anna I. Krylov

Version 1 posted 25 January 2024

181

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Physical Chemistry

Working Paper

Vibronic Coupling Effects in the Photoelectron Spectrum of Ozone: A Coupled-Cluster Approach

Paweł Wójcik, Hanna Reisler, Péter Szalay, Anna Krylov, John Stanton

Version 2 posted 05 November 2024

141

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Theoretical and Computational Chemistry

Working Paper

Two- and one-photon absorption spectra of aqueous thiocyanate anion highlight the role of symmetry in condensed phase

Ronit Sarangi, Kaushik Nanda, Anna I. Krylov

Version 1 posted 27 September 2023

147

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Theoretical and Computational Chemistry

Working Paper

Spin–orbit couplings within spin-conserving and spin-flipping time-dependent density functional theory: Implementation and benchmark calculations

Saikiran Kotaru, Pavel Pokhilko, Anna Krylov

Version 1 posted 17 October 2022

338

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Theoretical and Computational Chemistry

Working Paper

Resonant Auger Decay in Benzene

Nayanthara Karippara Jayadev, Thomas-C Jagau, Anna I. Krylov

Version 1 posted 30 October 2024

109

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Physical Chemistry

Working Paper

Spin-Forbidden Channels in Reactions of Unsaturated Hydrocarbons with O(3P)

Pavel Pokhilko, Robin Shannon, David Glowacki, Hai Wang, Anna I. Krylov

Version 1 posted 22 October 2018

553

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62 results in Anna Krylov in Authors: Anna Krylov

On the Role of the Electron-Dipole Interaction in Photodetachment Angular Distributions

Molecular-Orbital Framework of Two-Electron Processes: Application to Auger and Intermolecular Coulomb Decay.

Photoswitching molecules functionalized with optical cycling centers provide a novel platform for studying chemical transformations in ultracold molecules

Cherry-picking resolvents: Recovering the valence contribution in X-ray two-photon absorption within the core--valence-separated equation-of-motion coupled-cluster response theory

Revisiting the benzene excimer using [2,2] paracyclophane model system: Experiment and theory

Vibronic Coupling Effects in the Photoelectron Spectrum of Ozone: A Coupled-Cluster Approach

Two- and one-photon absorption spectra of aqueous thiocyanate anion highlight the role of symmetry in condensed phase

Spin–orbit couplings within spin-conserving and spin-flipping time-dependent density functional theory: Implementation and benchmark calculations

Resonant Auger Decay in Benzene

Spin-Forbidden Channels in Reactions of Unsaturated Hydrocarbons with O(3P)

62 results in Authors: Anna Krylov