Extracting Quantitative Information at Quantum Mechanical Level from Noncovalent Interaction Index Analyses - Université de Lorraine
Journal Articles Journal of Chemical Theory and Computation Year : 2023

Extracting Quantitative Information at Quantum Mechanical Level from Noncovalent Interaction Index Analyses

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Chemical Sciences
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https://hal.univ-lorraine.fr/hal-03951285

Submitted on : Monday, January 23, 2023-8:21:17 AM

Last modification on : Friday, May 31, 2024-12:52:15 PM

Long-term archiving on : Monday, April 24, 2023-6:28:59 PM

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hal-03951285 , version 1 (23-01-2023)

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Erna Wieduwilt, Roberto Boto, Giovanni Macetti, Rubén Laplaza, Julia Contreras-García, et al.. Extracting Quantitative Information at Quantum Mechanical Level from Noncovalent Interaction Index Analyses. Journal of Chemical Theory and Computation, 2023, ⟨10.1021/acs.jctc.2c01092⟩. ⟨hal-03951285⟩

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CNRS LCT UNIV-LORRAINE INC-CNRS LPCT-UL SORBONNE-UNIVERSITE SU-SCIENCES EXPLOR ANR CHIMIE-SU
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