Kenichi Fukui, Frontier Molecular Orbital Theory, and the Woodward-Hoffmann Rules. Part II. A Sleeping Beauty in Chemistry†.
Sign Up to like & getrecommendations! Published in 2022 at "Chemical record"
DOI: 10.1002/tcr.202100300
Abstract: In 1964, Kenichi Fukui published a chapter in a book honoring the career of Robert S. Mulliken. While most of that chapter is a review of Fukui's previously published research dealing with frontier molecular orbital… read more here.
Keywords: chemistry; kenichi fukui; molecular orbital; woodward hoffmann ... See more keywords
Halogen Bonds in Ligand–Protein Systems: Molecular Orbital Theory for Drug Design
Sign Up to like & getrecommendations! Published in 2020 at "Journal of Chemical Information and Modeling"
DOI: 10.1021/acs.jcim.9b00946
Abstract: Halogen bonds are highly important in medicinal chemistry as halogenation of drugs, generally, improves both selectivity and efficacy toward protein active sites. However, accurate modeling of halogen bond interactions remains a challenge, since a thorough… read more here.
Keywords: ligand protein; drug; halogen; molecular orbital ... See more keywords
On the ill-defined notion of the Milankovitch Theory and its influence on the development of the orbital theory of the paleoclimate
Sign Up to like & getrecommendations! Published in 2017 at "Herald of the Russian Academy of Sciences"
DOI: 10.1134/s1019331617040025
Abstract: The unique situation around the best-known and universally recognized version of the orbital theory of the paleoclimate (OTP), the Milankovitch theory, is analyzed. The problem lies in the extreme diversity in how the essence of… read more here.
Keywords: milankovitch; theory; theory paleoclimate; milankovitch theory ... See more keywords
Valence Bond Theory—Its Birth, Struggles with Molecular Orbital Theory, Its Present State and Future Prospects
Sign Up to like & getrecommendations! Published in 2021 at "Molecules"
DOI: 10.3390/molecules26061624
Abstract: This essay describes the successive births of valence bond (VB) theory during 1916–1931. The alternative molecular orbital (MO) theory was born in the late 1920s. The presence of two seemingly different descriptions of molecules by… read more here.
Keywords: bond theory; theory; valence bond; molecular orbital ... See more keywords