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Célerse, F.
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Assessing the persistence of chalcogen bonds in solution with neural network potentials
by
Célerse
,
F
.
,
Corminboeuf, C.
,
Jurásková, V.
,
Laplaza, R.
Published 2022
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Related Subjects
Anions
Bonding patterns
Chalcogens
Chemical bonds
Computation theory
Condensed phase
Condensed phasis
Density functional theory
Design Principles
Design for testability
Electronic structure
Environment effects
Finite temperatures
Functional materials
Molecules
Neural Networks, Computer
Neural-networks
Non-covalent interaction
Noncovalent bonding
Solvents
Supramolecular chemistry
Tellurium compounds
anion
chemistry
solvent
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