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Computers & Chemical Engineering|October 25, 2011
Equivalence of on-Lattice Stochastic Chemical Kinetics with the Well-Mixed Chemical Master Equation in the Limit of Fast DiffusionMichail Stamatakis, Dionisios G VlachosJournal of Chemical Information and Modeling|September 23, 2020
Thermochemical Data Fusion Using Graph Representation LearningHimaghna Bhattacharjee, Dionisios G VlachosChemical Science|May 1, 2023
Reconciling experimental catalytic data stemming from structure sensitivityXue Zong, Dionisios G VlachosJournal of the American Chemical Society|June 10, 2016
Conjugation-Driven "Reverse Mars-van Krevelen"-Type Radical Mechanism for Low-Temperature C-O Bond ActivationAlexander V Mironenko, Dionisios G VlachosACS Nano|August 9, 2011
Nanoscale surface pattern evolution in heteroepitaxial bimetallic filmsNasser Mohieddin Abukhdeir, Dionisios G VlachosPhysical Chemistry Chemical Physics : PCCP|March 13, 2023
Transition-state correlations for predicting thermochemistry of adsorbates and surface reactionsSophia J Kurdziel, Dionisios G VlachosThe Journal of Physical Chemistry. B|February 24, 2006
Silica nanoparticle formation in the TPAOH-TEOS-H2O system: a population balance modelJohn L Provis, Dionisios G VlachosACS Nano|November 16, 2020
Spectroscopic Probe Molecule Selection Using Quantum Theory, First-Principles Calculations, and Machine LearningJoshua L Lansford, Dionisios G VlachosNature Communications|April 7, 2020
Infrared spectroscopy data- and physics-driven machine learning for characterizing surface microstructure of complex materialsJoshua L Lansford, Dionisios G VlachosJournal of Chemical Information and Modeling|June 23, 2025
Distance-Aware Molecular Property Prediction in Nonlinear Structure-Property SpaceJae Young Kim, Dionisios G VlachosPageof 28