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The Journal of Physical Chemistry. A|June 16, 2009
Reversibility from DFT-based reactivity indices: intramolecular side reactions in the polymerization of poly(vinyl chloride)Freija De Vleeschouwer, Alejandro Toro-Labbé, Soledad Gutiérrez-Oliva, et al.
Organic Letters|July 10, 2014
Synthesis of fused 3-aminoazepinones via trapping of a new class of cyclic seven-membered allenamides with furanBen Schurgers, Ben Brigou, Zofia Urbanczyk-Lipkowska, et al.
The Journal of Physical Chemistry. A|February 26, 2020
Performance of Electronic Structure Methods for the Description of Hückel-Möbius Interconversions in Extended π-SystemsTatiana Woller, Ambar Banerjee, Nitai Sylvetsky, et al.
The Journal of Chemical Physics|August 22, 2008
Adiabatic connection forms in density functional theory: H2 and the He isoelectronic seriesMichael J G Peach, Adam M Miller, Andrew M Teale, et al.
The Journal of Chemical Physics|November 30, 2019
Photoelectron spectroscopy of para-benzoquinone cluster anionsGolda Mensa-Bonsu, Mark R Wilson, David J Tozer, et al.
Journal of the American Chemical Society|June 14, 2024
Enantioselective, Bro̷nsted Acid-Catalyzed Anti-selective Hydroamination of AlkenesSudip Guria, Alexander N Volkov, Raffi Khudaverdyan, et al.
Nanoscale Advances|September 22, 2022
Correction: Water distribution at the electrified interface of deep eutectic solventsMesfin Haile Mamme, Samuel L C Moors, El Amine Mernissi Cherigui, et al.
The Journal of Physical Chemistry. A|June 10, 2010
Shielding constants and chemical shifts in DFT: influence of optimized effective potential and Coulomb-attenuationMichael J G Peach, John A Kattirtzi, Andrew M Teale, et al.
The Journal of Chemical Physics|January 17, 2013
Benchmarking density-functional theory calculations of NMR shielding constants and spin-rotation constants using accurate coupled-cluster calculationsAndrew M Teale, Ola B Lutnæs, Trygve Helgaker, et al.
The Journal of Organic Chemistry|January 23, 2016
Influence of Solvation and Dynamics on the Mechanism and Kinetics of Nucleophilic Aromatic Substitution Reactions in Liquid AmmoniaSamuel L C Moors, Ben Brigou, Dietmar Hertsen, et al.
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