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Theoretical and Computational Chemistry

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composite methods

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3 results in Keywords: composite methods

Theoretical and Computational Chemistry

All Hands on Deck: Accelerating Ab Initio Thermochemistry via Wavefunction Approximations

Sambit Kumar Das, Salini Senthil, Sabyasachi Chakraborty, Raghunathan Ramakrishnan

Version 1 posted 03 May 2021

400

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Theoretical and Computational Chemistry

Is ADC(3) as Accurate as CC3 for Valence and Rydberg Transition Energies?

Pierre-Francois Loos, Denis Jacquemin

Version 1 posted 20 December 2019

339

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Theoretical and Computational Chemistry

Reliable Gas Phase Reaction Rates at Affordable Cost by Means of the Parameter-Free junChS-F12 Model Chemistry

Vincenzo Barone, Jacopo Lupi, Zoi Salta, Nicola Tasinato

Version 1 posted 08 May 2023

165

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