Subject: Chemistry , Working Paper , Title: Explaining the entropy concept and entropy components , Authors: Marko Popovic Version 1 posted 25 September 2017 Show abstract Download 5,357 Downloads
Subject: Chemistry , Working Paper , Title: Coupled Anharmonic Thermochemistry from Stratified Monte-Carlo Integration , Authors: Gabriel Rath, Wassja Kopp, Kai Leonhard Version 1 posted 24 February 2021 Show abstract Download 629 Downloads
Subject: Chemistry , Working Paper , Title: Indirect Red and Near-Infrared Z-to-E Photoisomerization of ortho-Functionalized Azobenzenes via Triplet Energy Transfer , Authors: Jussi Isokuortti, Kim Kuntze, Matti Virkki, Zafar Ahmed, Elina Vuorimaa-Laukkanen, Mikhail A. Filatov, Andrey Turshatov, Timo Laaksonen, Arri Priimägi, Nikita A. Durandin Version 1 posted 02 March 2021 Show abstract Download 927 Downloads
Subject: Chemistry , Working Paper , Title: Understanding Conformational Entropy in Small Molecules , Authors: Lucian Chan, Garrett Morris, Geoffrey Hutchison Version 2 posted 01 March 2021 Show abstract Download 3,951 Downloads
Subject: Chemistry , Working Paper , Title: Transition Energy, Orientation Force and Work Done in Transitional Behavior Atoms: Formulating New Principles in Thermodynamics , Authors: Mubarak Ali Version 13 posted 14 March 2024 Show abstract Download 2,964 Downloads
Subject: Chemistry , Working Paper , Title: Protein-Ligand Binding Enthalpies from Near-Millisecond Simulations: Analysis of a Preorganization Paradox , Authors: Amanda Li, Michael Gilson Version 1 posted 05 February 2018 Show abstract Download 1,260 Downloads
Subject: Chemistry , Working Paper , Title: Calculation of Absolute Molecular Entropies and Heat Capacities Made Simple , Authors: Philipp Pracht, Stefan Grimme Version 1 posted 25 January 2021 Show abstract Download 1,889 Downloads
Subject: Chemistry , Working Paper , Title: On the Role of Enthalpic and Entropic Contributions on the Conformational Free Energy Landscape of MIL-101(Cr) Structural Building Units , Authors: Loukas Kollias, David Cantu, Vassiliki-Alexandra Glezakou, Roger Rousseau, Matteo Salvalaglio Version 4 posted 13 July 2020 Show abstract Download 1,453 Downloads
Subject: Chemistry , Working Paper , Title: Themis: A Software to Assess Association Free Energies via Direct Estimative of Partition Functions , Authors: Felippe Colombari, Asdrubal Lozada-Blanco, Kalil Bernardino, Weverson Gomes, André Farias de Moura Version 2 posted 29 September 2020 Show abstract Download 804 Downloads 2 Citations
Subject: Chemistry , Working Paper , Title: EPR, time, irreversibility and causality , Authors: Umberto Lucia, Giulia Grisolia Version 3 posted 22 March 2022 Show abstract Download 1,114 Downloads 1 Citations
