- Title
- Coupling density functional based tight binding with class 1 force fields in a hybrid QM/MM scheme
- Creators - without role
- Maysá Yusef Buey - Laboratoire de Chimie et Physique QuantiquesTzonka Mineva - Université de Montpellier, Institut Charles Gerhardt Montpellier - ICGMMathias Rapacioli - Université Toulouse III - Paul Sabatier
- Publication Details
- Theoretical Chemistry Accounts: Theory, Computation, and Modeling, Vol.141(3)
- Identifiers
- 9945994809311
- Academic Unit
- Institut Charles Gerhardt Montpellier - ICGM
- Language
- English
- Resource Type
- Journal article
- Local Fields
- hal-03628398
Journal article
Coupling density functional based tight binding with class 1 force fields in a hybrid QM/MM scheme
Theoretical Chemistry Accounts: Theory, Computation, and Modeling, Vol.141(3)
12/03/2022
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