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The Journal of Physical Chemistry. A|January 12, 2007
An ab initio study of the excited States, isomerization energy profiles and conical intersections of a chiral cyclohexylidene derivativeMarko Schreiber, Mario Barbatti, Shmuel Zilberg, et al.Expert Opinion on Therapeutic Targets|June 4, 2011
Ceramide formation as a target in beta-cell survival and functionFlorian Lang, Susanne Ullrich, Erich GulbinsThe Journal of Physical Chemistry Letters|March 7, 2019
Promoting Intersystem Crossing of a Fluorescent Molecule via Single Functional Group ModificationRan Liu, Xing Gao, Mario Barbatti, et al.Chemical Science|December 9, 2021
Choosing the right molecular machine learning potentialMax Pinheiro, Fuchun Ge, Nicolas Ferré, et al.The Journal of Chemical Physics|November 1, 2024
A simple approach to rotationally invariant machine learning of a vector quantityJakub Martinka, Marek Pederzoli, Mario Barbatti, et al.Chemistry (Weinheim an Der Bergstrasse, Germany)|February 4, 2026
Uncertainty Calibration in Molecular Machine Learning: Comparing Evidential and Ensemble ApproachesBidhan Chandra Garain, Max Pinheiro, Matheus de Oliveira Bispo, et al.Journal of Molecular Modeling|April 23, 2020
On the origin of the shift between vertical excitation and band maximum in molecular photoabsorptionShuming Bai, Ritam Mansour, Ljiljana Stojanović, et al.The Journal of Physical Chemistry. A|August 25, 2016
Insights on the Auxochromic Properties of the Guanidinium GroupIvana Antol, Zoran Glasovac, Davor Margetić, et al.The Journal of Physical Chemistry. A|October 14, 2014
Photochemical deactivation process of HCFC-133a (C2H2F3Cl): a nonadiabatic dynamics studyGessenildo Pereira Rodrigues, Elizete Ventura, Silmar Andrade do Monte, et al.Journal of Chemical Theory and Computation|November 22, 2015
Interfacial States in Donor-Acceptor Organic Heterojunctions: Computational Insights into Thiophene-Oligomer/Fullerene JunctionsKakali Sen, Rachel Crespo-Otero, Oliver Weingart, et al.Pageof 25