Quantum, classical, and hybrid QM/MM calculations in solution: General implementation of the ddCOSMO linear scaling strategy - Archive ouverte HAL
Journal Articles The Journal of Chemical Physics Year : 2014

Quantum, classical, and hybrid QM/MM calculations in solution: General implementation of the ddCOSMO linear scaling strategy

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Chemical Sciences Theoretical and/or physical chemistry

Benjamin Stamm  : Connect in order to contact the contributor

https://hal.science/hal-01090954

Submitted on : Thursday, December 4, 2014-2:00:09 PM

Last modification on : Thursday, December 19, 2024-4:50:03 PM

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hal-01090954 , version 1 (04-12-2014)

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Filippo Lipparini, Giovanni Scalmani, Louis Lagardère, Benjamin Stamm, Eric Cancès, et al.. Quantum, classical, and hybrid QM/MM calculations in solution: General implementation of the ddCOSMO linear scaling strategy. The Journal of Chemical Physics, 2014, 141 (18), pp.184108. ⟨10.1063/1.4901304⟩. ⟨hal-01090954⟩

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