Showing results (121-130 of 259) with videos related to
Sort By:
Pageof 26
Journal of Chemical Theory and Computation|November 24, 2015
Exploring Chemical Space with the Alchemical DerivativesRobert Balawender, Meressa A Welearegay, Michał Lesiuk, et al.The Journal of Organic Chemistry|March 7, 2013
Pushing the boundaries of intrinsically stable radicals: inverse design using the thiadiazinyl radical as a templateFreija De Vleeschouwer, Artiom Chankisjijev, Weitao Yang, et al.Physical Chemistry Chemical Physics : PCCP|September 12, 2013
Trans effect and trans influence: importance of metal mediated ligand-ligand repulsionBalazs Pinter, Veronique Van Speybroeck, Michel Waroquier, et al.Physical Chemistry Chemical Physics : PCCP|May 20, 2014
Evaluating and interpreting the chemical relevance of the linear response kernel for atoms II: open shellZino Boisdenghien, Stijn Fias, Christian Van Alsenoy, et al.Physical Chemistry Chemical Physics : PCCP|June 16, 2012
On the origin of the steric effectBalazs Pinter, Tim Fievez, F Matthias Bickelhaupt, et al.Journal of Chemical Theory and Computation|November 28, 2015
Dependence of Excited State Potential Energy Surfaces on the Spatial Overlap of the Kohn-Sham Orbitals and the Amount of Nonlocal Hartree-Fock Exchange in Time-Dependent Density Functional TheoryJürgen Plötner, David J Tozer, Andreas DreuwThe Journal of Physical Chemistry. A|September 14, 2012
Overcoming low orbital overlap and triplet instability problems in TDDFTMichael J G Peach, David J TozerDalton Transactions (Cambridge, England : 2003)|April 9, 2011
OCO and NCO chelated derivatives of heavier group 15 elements. Study on possibility of cyclization reaction via intramolecular ether bond cleavageLibor Dostál, Roman Jambor, Aleš Růžička, et al.Chemical Reviews|October 9, 2019
Do Diradicals Behave Like Radicals?Thijs Stuyver, Bo Chen, Tao Zeng, et al.JACS Au|March 7, 2022
Mechanistic Characterization of Zeolite-Catalyzed Aromatic Electrophilic Substitution at Realistic Operating ConditionsMassimo Bocus, Louis Vanduyfhuys, Frank De Proft, et al.Pageof 26