【摘 要】
:
Dehydrogenation and hydrogenation of N-heterocyclic compounds are useful for pharmaceutical and organic synthesis.
【机 构】
:
Department of Chemistry and Center of Excellence for Innovation in Chemistry,Faculty of Science,Mahi
【出 处】
:
The 15th ICQC International Congress of Quantum Chemistry(第1
论文部分内容阅读
Dehydrogenation and hydrogenation of N-heterocyclic compounds are useful for pharmaceutical and organic synthesis.
其他文献
The absorption spectra of organic light emitting diodes(OLED),1,4-Dibromo-2,5dibutoxybenzene,2,2′-[2,5-Bis(hexyloxy)-1,4-phenylene]dithiophene,3,5dibromo-2-[2,5-dibutoxy-4-(3,5-dibromothiophen-2-yl)ph
Very recently we have introduced a new formulation of response function theory [1] where the parametrization and optimization of the unperturbed state can differ from the parametrization and optimizat
The non-orthogonal localized molecular orbital(NOLMO) is the most localized representation of electronic degrees of freedom.As such,NOLMOs are thus potentially the most efficient for linear scaling ca
Structure and bonding in Lewis acid-base halogen complexes has long been a subject of much chemical interest.
Theoretical investigations were utilized to investigate the structural and electronic properties of three diruthenium and viologen complexes including 1) [Ru-V-Ru] [1],2) [Ru-V-RuCOOH] [2],and 3) [Ru-
Human Serum Albumin(HSA) fluorescence absorption originates from Trp,Tyr,and Phe residues but its fluorescence is an intrinsic attribute of the Trp214 residue alone,which plays a dominant role in form
The accurate protein-drug interaction evaluation is the foundation of computer-aid drug screening and rational drug design.
Within the framework of the F(o)rster theory,the electronic excitation energy transfer pathways in the cyanobacteria allophycocyanin(APC) trimer and hexamer were studied.
Dispersion-corrected density-functional(DFT) theory coupled with dispersioncorrected self-consistent reaction field(SCRF) methods for treating solvation are shown to adequately describe the free-energ
Monitoring[Zn2+]m in intact brain tissues is the key to understanding the physiology of Zn2+in the brain.However,due to the colorlessness and magnetic silence of Zn2+,it ]s difficult to accurately und