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Physical Chemistry

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Theoretical and Computational Chemistry

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QM/QM’ strategies

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3 results in Keywords: QM/QM’ strategies

Theoretical and Computational Chemistry

Quantum Mechanics / Extremely Localized Molecular Orbital Embedding Strategy for Excited-States. 2. Coupling to the Equation-of-Motion Coupled Cluster Method

Giovanni Macetti, Alessandro Genoni

Version 1 posted 16 September 2020

494

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Physical Chemistry

The Structural Changes in the Signaling Mechanism of Bacteriophytochromes in Solution Revealed by a Multiscale Computational Investigation

Veronica Macaluso, Giacomo Salvadori, Lorenzo Cupellini, Benedetta Mennucci

Version 1 posted 18 January 2021

328

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Theoretical and Computational Chemistry

Quantum Mechanics / Extremely Localized Molecular Orbital Embedding Strategy for Excited-States. 1. Coupling to Time-Dependent Density Functional Theory

Giovanni Macetti, Alessandro Genoni

Version 1 posted 16 September 2020

306

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