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Theoretical and Computational Chemistry

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geometry optimization

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2 results in Keywords: geometry optimization

Theoretical and Computational Chemistry

Calculating Absorption and Fluorescence Spectra for Chromophores in Solution with Ensemble Franck-Condon Methods

Ajay Khanna, Sapana Shedge, Tim Zuehlsdorff, Christine Isborn

Version 2 posted 01 July 2024

300

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Theoretical and Computational Chemistry

Exploration of the Global Minimum and Conical Intersection with Bayesian Optimization

Riho Somaki, Taichi Inagaki, Miho Hatanaka

Version 2 posted 12 August 2024

186

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