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ACS Earth & Space Chemistry|May 21, 2025
Gas-Phase Reactions of H<sub>2</sub>CS and H<sub>2</sub>CO with CN: Similarities and Differences from a Computational StudySilvia Alessandrini, Hexu Ye, Cristina PuzzariniJournal of Computational Chemistry|December 20, 2023
Isomerism of <math> </math> : Accurate structural, energetic, and spectroscopic characterizationCristina Puzzarini, Hexu Ye, Silvia AlessandriniThe Journal of Physical Chemistry. A|November 9, 2021
Structural and Energetic Properties of Amino Acids and Peptides Benchmarked by Accurate Theoretical and Experimental DataPing Wang, Chong Shu, Hexu Ye, et al.Physical Chemistry Chemical Physics : PCCP|September 23, 2022
Exploiting the "Lego brick" approach to predict accurate molecular structures of PAHs and PANHsHexu Ye, Silvia Alessandrini, Mattia Melosso, et al.The Journal of Physical Chemistry. A|February 3, 2026
Computational Study of the Reaction between Ethylene Glycol and the CH Radical: Competition between Carbon Addition and DehydrogenationSilvia Alessandrini, Hexu Ye, Mattia Melosso, et al.The Journal of Physical Chemistry. A|October 18, 2024
Describing the Disulfide Bond: From the Density Functional Theory and Back through the "Lego Brick" ApproachSilvia Alessandrini, Hexu Ye, Malgorzata Biczysko, et al.The Journal of Physical Chemistry. A|November 26, 2019
Conformational Equilibria and Molecular Structures of Model Sulfur-Sulfur Bridge Systems: Diisopropyl DisulfideJiaqi Zhang, Hexu Ye, Yan Jin, et al.Pageof 1