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It was established in 1985 as Journal of Molecular Structure: THEOCHEM, a spin-off of the Journal of Molecular Structure. It obtained its current name in 2011 and covers molecular structure in theoretical chemistry.
Journal of Molecular Structure is a scientific journal published by Elsevier through ScienceDirect since 1968. It specializes in research on the structural properties of molecules, emphasizing experimental and computational studies in fields like chemistry , physics , and materials science .
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Journal of Molecular Structure; Journal of Molecular Structure: THEOCHEM; Journal of Natural Products; Journal of Organic Chemistry; Journal of Organometallic Chemistry; Journal of Physical Chemistry A; Journal of Physical Chemistry B; Journal of Physical Chemistry C; Journal of Physical Chemistry Letters; Journal of Polymer Science Part A ...
Clemens C. J. Roothaan (August 29, 1918 – June 17, 2019) was a Dutch physicist and chemist known for his development of the self-consistent field theory of molecular structure. Biography [ edit ]
Ethylene dione or ethylenedione, also called dicarbon dioxide, Carbon peroxide, ethenedione, or ethene-1,2-dione, is a chemical compound with the formula C 2 O 2 or O=C=C=O.It is an oxide of carbon (an oxocarbon), and can be described as the carbon-carbon covalent dimer of carbon monoxide. [1]
One structural consequence of acyclic systems due to the stereoelectronic effect is the gauche effect. [8] In 1,2-difluoroethane , despite the steric clash, the preferred conformation is the gauche one because σ(C–H) is a good donor and σ*(C–F) is a good acceptor and the stereoelectronic effect (σ(C–H) → σ*(C–F)) requires the ...
Lauryldimethylamine oxide (LDAO), also known as dodecyldimethylamine oxide (DDAO), is an amine oxide–based zwitterionic surfactant, with a C 12 (dodecyl) alkyl tail. It is one of the most frequently-used surfactants of this type. [4]