Theoretical Modeling of Large Molecular Systems. Advances in the Local Self Consistent Field Method for Mixed Quantum Mechanics/Molecular Mechanics Calculations

Antonio Monari; Jean-Louis Rivail; Xavier Assfeld

doi:10.1021/ar300278j

Journal articles

Theoretical Modeling of Large Molecular Systems. Advances in the Local Self Consistent Field Method for Mixed Quantum Mechanics/Molecular Mechanics Calculations

Antonio Monari ^{1, 2} Jean-Louis Rivail ² Xavier Assfeld ^{1, 2, *}

* Corresponding author

1 LPCT - Laboratoire de Physique et Chimie Théoriques

2 SRSMC - Structure et Réactivité des Systèmes Moléculaires Complexes

Document type :

Journal articles

Domain :

Chemical Sciences

Complete list of metadatas

https://hal.univ-lorraine.fr/hal-02189224
Contributor : Antonio Monari <>
Submitted on : Friday, July 19, 2019 - 11:21:49 AM
Last modification on : Friday, November 13, 2020 - 8:20:06 AM

Theoretical Modeling of Large Molecular Systems. Advances in the Local Self Consistent Field Method for Mixed Quantum Mechanics/Molecular Mechanics Calculations

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Theoretical Modeling of Large Molecular Systems. Advances in the Local Self Consistent Field Method for Mixed Quantum Mechanics/Molecular Mechanics Calculations

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