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4 results in Authors: Christof Hattig

Theoretical and Computational Chemistry

Magnetic Circular Dichroism of Naphthalene Derivatives: A Coupled Cluster Singles and Approximate Doubles and Time-Dependent Density Functional Theory Study

Simone Ghidinelli, Giovanna Longhi, Sergio Abbate, Christof Hättig, Sonia Coriani

Version 1 posted 28 October 2020

312

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Theoretical and Computational Chemistry

An efficient protocol for computing MCD spectra in a broad frequency range combining resonant and damped CC2 quadratic response theory

Josefine H. Andersen, Sonia Coriani, Christof Hättig

Version 1 posted 24 May 2023

192

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1

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Theoretical and Computational Chemistry

Insights into localization, energy ordering, and substituent effect in excited states of azobenzenes from coupled cluster calculations of nuclear spin-induced circular dichroism

Josefine Hvarregaard Andersen, Christof Hättig, Sonia Coriani, Petr Stepanek

Version 1 posted 31 May 2023

137

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Theoretical and Computational Chemistry

Gradients of ground and excited states for CC2 and ADC(2) in polarizable continuum and atomistic embeddings within a generalized PTED coupling scheme

Christof Hattig, Ansgar Pausch

Version 1 posted 29 April 2025

25

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