Master acid–base concepts, intermediates, and isomerism to make Organic Chemistry a high-scoring, logic-driven section in JEE ...
Computational analysis suggests that the anomeric effect arises from a combination of factors and is not limited to just ...
THE recent statement by Kreevoy and Eyring 1, based on theoretical considerations, that the hyperconjugation energy is approximately proportional to the number of α-hydrogen atoms, is supported by an ...
Barany, H. C., Braude, E. A., and Pianka, M., J. Chem. Soc., 1898 (1949). Braude, E. A., and Jones, E. R. H., J. Chem. Soc., 499 (1945). Brooker, L. G. S., and White ...
“Experimental Evidence for ‘Hyperaromaticity,’ ” on the contribution of hyperconjugation to aromaticity, lends itself to a convenient mnemonic device that I have used in an introductory organic ...
Department of Chemistry, The University of Texas at San Antonio, San Antonio, TX, United States Four methods of computational quantum chemistry are used in a study of hyperconjugation in protonated ...
Creative Commons (CC): This is a Creative Commons license. Attribution (BY): Credit must be given to the creator. Strategic perturbations on the graphene framework to inflict a tunable energy band gap ...
For many-body methods such as MCSCF and CASSCF, in which the number of one-electron orbitals is optimized and independent of the basis set used, there are no problems with using plane-wave basis sets.
Department of Physical and Quantum Chemistry, Institute of Chemistry, Academy of Sciences of Moldova, Kishinev, Republic of Moldova. As is known, many physicochemical properties of chemical compounds ...
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Due to a planned power outage on Friday, 1/14, between 8am-1pm PST, some services may be impacted. A line drawing of the Internet Archive headquarters building façade. An illustration of a magnifying ...