Showing results (1-10 of 40) with videos related to
Sort By:
Pageof 4
Molecules (Basel, Switzerland)|July 2, 2021
A Computational Protocol Combining DFT and Cheminformatics for Prediction of pH-Dependent Redox PotentialsRocco Peter Fornari, Piotr de SilvaSmall (Weinheim an Der Bergstrasse, Germany)|July 15, 2022
Gaining Insight into the Electrochemical Interface Dynamics in an Organic Redox Flow Battery with a Kinetic Monte Carlo ApproachJia Yu, Garima Shukla, Rocco Peter Fornari, et al.The Journal of Physical Chemistry Letters|September 5, 2019
Inverted Singlet-Triplet Gaps and Their Relevance to Thermally Activated Delayed FluorescencePiotr de SilvaThe Journal of Chemical Physics|September 24, 2015
Communication: A new class of non-empirical explicit density functionals on the third rung of Jacob's ladderPiotr de Silva, Clémence CorminboeufJournal of Chemical Theory and Computation|September 16, 2014
Simultaneous Visualization of Covalent and Noncovalent Interactions Using Regions of Density OverlapPiotr de Silva, Clémence CorminboeufJournal of Computational Chemistry|March 10, 2011
Energy partitioning scheme based on self-consistent method for subsystems: populational space approachPiotr De Silva, Jacek KorchowiecThe Journal of Chemical Physics|February 23, 2015
Local hybrid functionals with orbital-free mixing functions and balanced elimination of self-interaction errorPiotr de Silva, Clémence CorminboeufChemical Science|April 14, 2025
Computational framework for discovery of degradation mechanisms of organic flow battery electrolytesXiaotong Zhang, Piotr de SilvaChemistry (Weinheim an Der Bergstrasse, Germany)|September 12, 2019
Unexpectedly Large Couplings Between Orthogonal Units in Anthraquinone PolymersRocco P Fornari, Piotr de SilvaThe Journal of Chemical Physics|September 11, 2012
Exact non-additive kinetic potentials in realistic chemical systemsPiotr de Silva, Tomasz A WesolowskiPageof 4