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Physical Chemistry Chemical Physics : PCCP|April 30, 2025
Structural transitions at the bilayer graphene-methanol interface from <i>ab initio</i> molecular dynamicsFlavio Siro Brigiano, Thomas Thévenet, Alexis Markovits, et al.The Journal of Physical Chemistry. A|February 11, 2020
New Way for Probing Bond StrengthJohanna Klein, Hassan Khartabil, Jean-Charles Boisson, et al.Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry|December 19, 2017
The Independent Gradient Model: A New Approach for Probing Strong and Weak Interactions in Molecules from Wave Function CalculationsCorentin Lefebvre, Hassan Khartabil, Jean-Charles Boisson, et al.Journal of Pharmaceutical Sciences|May 31, 2019
X-Ray Diffraction and Theoretical Calculation-Supported Formation of Polymorphic Cocrystals Discovered Through Thermal Methods: A Case StudyZhengzheng Zhou, Mónica Calatayud, Julia Contreras-García, et al.The Journal of Physical Chemistry. A|December 22, 2017
Bending Carbon Nanoforms for Supramolecular Recognition: A Topological Study on Hemifullerene-Based AggregatesJoaquín Calbo, Juan Aragó, Roberto A Boto, et al.Physical Chemistry Chemical Physics : PCCP|June 6, 2025
NCI orbital decomposition and critical comparison to local correlation schemesXaiza Aniban, Maxime Ferrer, M Merced Montero-Campillo, et al.The Journal of Physical Chemistry. B|August 31, 2017
Binding of Thioflavin T and Related Probes to Polymorphic Models of Amyloid-β FibrilsFrancesca Peccati, Stefano Pantaleone, Vanessa Riffet, et al.Journal of the American Chemical Society|April 17, 2010
Revealing noncovalent interactionsErin R Johnson, Shahar Keinan, Paula Mori-Sánchez, et al.Chemistry (Weinheim an Der Bergstrasse, Germany)|April 3, 2014
Understanding the fundamental role of π/π, σ/σ, and σ/π dispersion interactions in shaping carbon-based materialsMercedes Alonso, Tatiana Woller, Francisco J Martín-Martínez, et al.Journal of Chemical Theory and Computation|July 3, 2025
Effective Oxidation State Analysis for SolidsGerard Comas-Vilà, Leila Pujal, Alberto Otero-de-la-Roza, et al.Pageof 9