نتایج جستجو برای: Donor-acceptor interaction

تعداد نتایج: 637347  

پایان نامه :دانشگاه آزاد اسلامی - دانشگاه آزاد اسلامی واحد تهران مرکزی - دانشکده علوم پایه 1391

utrlizegauss newtonalgorithnfor determination of equilibrium constantin donor acceptor

Journal: :Journal of Materials Chemistry C 2021

Donor–donor?–acceptor molecules where the donor? bridges donor and acceptor have different possible interaction pathways for charge transfer.

Journal: :Angewandte Chemie 2021

A novel stable donor/acceptor-supported MnI-metallasilanone 3 was synthesized. The intramolecular silanone-MnI interaction induces a highly strained three-membered cyclic structure, leading to an exceptionally high reactivity of as donor/acceptor complex silanone. Indeed, metallasilanone readily reacts with various small molecules such H2 or ethylene gas in mild conditions.

Journal: :Chemical communications 2013
Amit Choudhary Charles G Fry Kimberli J Kamer Ronald T Raines

Carbonyl-carbonyl (C=O···C'=O') interactions are ubiquitous in both small and large molecular systems. This interaction involves delocalization of a lone pair (n) of a donor oxygen into the antibonding orbital (π*) of an acceptor carbonyl group. Analyses of high-resolution protein structures suggest that these carbonyl-carbonyl interactions prefer to occur in pairs, that is, one donor per accep...

2013
Robert W. Newberry Brett VanVeller Ilia A. Guzei Ronald T. Raines

Carbonyl-carbonyl interactions between adjacent backbone amides have been implicated in the conformational stability of proteins. By combining experimental and computational approaches, we show that relevant amidic carbonyl groups associate through an n→π* donor-acceptor interaction with an energy of at least 0.27 kcal/mol. The n→π* interaction between two thioamides is 3-fold stronger than bet...

Journal: :international journal of nano dimension 0
h. khajeh salehani young researchers club, damavand branch, islamic azad university, damavand, iran. kh. shakouri young researchers club, damavand branch, islamic azad university, damavand, iran. m. esmaeilzadeh department of physics, iran university of science and technology, tehran, iran. m. h. majlesara department of physics, tarbiat moallem university, tehran, iran.

in this paper, the electronic eigenstates and energy spectra of single and two-interacting electrons confined in a concentric double quantum rings with a perpendicular magnetic field in the presence of         on-center donor and acceptor impurities are calculated using the exact diagonalization method. for a single electron case, the binding energy of on-center donor and acceptor impurities ar...

Journal: :Journal of Synthetic Organic Chemistry, Japan 1969

2010
Arnd Vogler Horst Kunkely

The intermolecular (outer sphere, OS) interaction of a reducing and an oxidizing metal complex generates a new optical transition involving charge transfer (CT) from the electron donor to the acceptor. OS C T transitions are classified according to the redox site (metal or ligand). Generally, the interaction between donor and acceptor is facilitated by ion pairs consisting of an oxidizing compl...

Journal: :Acta Crystallographica Section A Foundations of Crystallography 1993

H. Khajeh Salehani, Kh. Shakouri M. Esmaeilzadeh M. H. Majlesara

In this paper, the electronic eigenstates and energy spectra of single and two-interacting electrons confined in a concentric double quantum rings with a perpendicular magnetic field in the presence of         on-center donor and acceptor impurities are calculated using the exact diagonalization method. For a single electron case, the binding energy of on-center donor and acceptor impurities ar...

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