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13 results in Keywords: internal conversion

Physical Chemistry

Working Paper

Toward Prediction of Nonradiative Decay Pathways in Organic Compounds II: Two Internal Conversion Channels in BODIPYs

Zhou Lin, Alexander Kohn, Troy Van Voorhis

Version 1 posted 03 September 2019

872

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Theoretical and Computational Chemistry

Working Paper

Towards Prediction of Non-Radiative Decay Pathways in Organic Compounds I: The Case of Naphthalene Quantum Yields

Alexander Kohn, Zhou Lin, Troy Van Voorhis

Version 1 posted 08 February 2019

867

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Theoretical and Computational Chemistry

Working Paper

Using diketopyrrolopyrroles to stabilize double excitation and control internal conversion

Mariana T. do Casal, Josene M. Toldo, Felix Plasser, Mario Barbatti

Version 1 posted 23 May 2022

211

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Theoretical and Computational Chemistry

Working Paper

Theoretical insight into adenine-uracil and adenine-thymine photodeactivation mechanisms.

Kinga Szkaradek, Robert Góra

Version 1 posted 16 July 2024

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Theoretical and Computational Chemistry

Working Paper

Nonadiabatic photodynamics of amantadine and cyanoadamantane cations: Departure from the energy gap law?

Bonasree Roy, Evgenii Titov, Peter Saalfrank

Version 1 posted 25 March 2024

157

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Theoretical and Computational Chemistry

Working Paper

Modelling the Fluorescence Quantum Yields of Aromatic Compounds: Benchmarking the Machinery to Compute Intersystem Crossing Rates

Koen Veys, Manon H. E. Bousquet, Denis Jacquemin, Daniel Escudero

Version 1 posted 28 June 2023

752

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Citations

Physical Chemistry

Working Paper

Theoretical Determination of Rate Constants from Excited-States: Application to Benzophenone

Katsuyuki Shizu, Hironori Kaji

Version 1 posted 24 May 2021

1,451

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Theoretical and Computational Chemistry

Working Paper

Serendipitous Triplet Harvesting in Donor-acceptor Dyads with Low Spin-orbit Coupling

Pijush Karak, Torsha Moitra, Ambar Banerjee, Kenneth Ruud, Swapan Chakrabarti

Version 2 posted 19 June 2023

371

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Theoretical and Computational Chemistry

Working Paper

Evaluating the Anharmonicity Contributions to the Molecular Excited State Internal Conversion Rates with Finite Temperature TD-DMRG

Yuanheng Wang, Jiajun Ren, Zhigang Shuai

Version 2 posted 28 May 2021

435

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Physical Chemistry

Working Paper

Deciphering methylation effects on S2(pp*) internal conversion in the simplest linear alpha,beta-unsaturated carbonyl

Pratip Chakraborty, Rafael Couto, Nanna Holmgaard List

Version 1 posted 18 April 2023

142

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13 results in internal conversion in Keywords: internal conversion

Toward Prediction of Nonradiative Decay Pathways in Organic Compounds II: Two Internal Conversion Channels in BODIPYs

Towards Prediction of Non-Radiative Decay Pathways in Organic Compounds I: The Case of Naphthalene Quantum Yields

Using diketopyrrolopyrroles to stabilize double excitation and control internal conversion

Theoretical insight into adenine-uracil and adenine-thymine photodeactivation mechanisms.

Nonadiabatic photodynamics of amantadine and cyanoadamantane cations: Departure from the energy gap law?

Modelling the Fluorescence Quantum Yields of Aromatic Compounds: Benchmarking the Machinery to Compute Intersystem Crossing Rates

Theoretical Determination of Rate Constants from Excited-States: Application to Benzophenone

Serendipitous Triplet Harvesting in Donor-acceptor Dyads with Low Spin-orbit Coupling

Evaluating the Anharmonicity Contributions to the Molecular Excited State Internal Conversion Rates with Finite Temperature TD-DMRG

Deciphering methylation effects on S2(pp*) internal conversion in the simplest linear alpha,beta-unsaturated carbonyl

13 results in Keywords: internal conversion