Light-Controlled Reversible Modulation of Frontier Molecular Orbital Energy Levels in Trifluoromethylated Diarylethenes

Frontier molecular orbital analysis of Cu – O reactivity n 2 *

Frontier molecular orbital (FMO) theory coupled with density functional calculations has been applied to investigate the chemical 2 2 22 reactivity of three key bioinorganic Cu –O complexes, the mononuclear end-on hydroperoxo-Cu(II), the side-on bridged m–h :h –O n 2 2 Cu(II) dimer and the bis-m-oxo Cu(III) dimer. Two acceptor orbitals (s* and p*) of each complex and two types of donating subst...

Reversible light induced conductance switching of asymmetric diarylethenes on gold: surface and electronic studies.

We report on the light-induced switching of conductance of a new generation of diarylethene switches embedded in an insulating matrix of dodecanethiol on Au(111), by using scanning tunneling microscopy (STM). The diarylethene switches we synthesize and study are modified diarylethenes where the thiophene unit at one side of the molecular backbone introduces an intrinsic asymmetry into the switc...

theoretical study on molecular orbital energy levels of h-2 blockers and correlation to their potency

Energy levels of light nuclei.

An evaluation of A = 11–12 was published in Nuclear Physics A336 (1980), p. 1. This version of A = 11 differs from the published version in that we have corrected some errors discovered after the article went to press. Figures and introductory tables have been omitted from this manuscript. Reference key numbers have been changed to the NNDC/TUNL format. (References closed July 1, 1979) The orig...

gradual erasure of subjectivity: a study of samuel beckett’s trilogy in the light of postmodernism

ساموئل بکت بیشتر از هر نویسنده دیگری در نیم? دوم قرن بیستم با گفتارش زمان? ما را به آستان? از هم پاشیدگی کشانده است، آستانه ای که در آن مدرنیته با سرانجام گریزان اما غیرقابل اجتناب خود مواجه می شود. در این تحقیق روی مفهوم فردیت و محو آن در دوران پسامدرن تاکید شده و در طی آن سعی شده است که فردیت مدرن و پسامدرن در رمان های سه گانه بکت بررسی گردد. تحقیق حاضر یک بررسی کتابخانه ای و کیفی بر روی سه ر...