Interactive 3D chemistry animations of reaction mechanisms and 3D models of chemical structures for students studying University courses and advanced school chemistry hosted by University of Liverpool
Interactive 3D chemistry animations of reaction mechanisms and 3D models of chemical structures for students studying University courses and advanced school chemistry hosted by University of Liverpool
Structures, frontier molecular orbitals and UV–vis spectra of RuX(PPh 3 )(NHCPh 2 )L (X=Tp and Cp*; L=Cl and N 3 ): A DFT studydoi:10.1016/j.jorganchem.2014.02.002Geometries of RuX(PPh3)(NHCPh2)(L) (X=hydridotris(pyrazolyl)borate (Tp) and pentamethylcyclopentadiene (Cp*); L...
We are aware of only two related reports on the effect of heteroaromaticity on single-molecule conductance. Venkataraman, Breslow and co-workers studied three amine-terminated molecules comprising thiophene, furan and dimethylcyclopentadiene cores (11–13, Fig.2). Based on STM–BJ measurements the ...
Structures, frontier molecular orbitals and UV–vis spectra of RuX(PPh 3 )(NHCPh 2 )L (X = Tp and Cp*; L = Cl and N 3 ): A DFT study[J] . Tsang-Hsiu Wang,I-Teng Wang,Shi-Hsin Lin,Li-Yu Huang,Shu-Kai Chen.Journal of Organometallic Chemistry . 2014...
Modeling reactions involving singlet molecular oxygen (O-2 [(1)Delta(g)]) is challenging because the degeneracy of the highest occupied molecular orbital and lowest unoccupied molecular orbital (HOMO and LUMO) orbitals of oxygen causes a significant multireference character. Within the limit that ...
Interactive 3D chemistry animations of reaction mechanisms and 3D models of chemical structures for students studying University courses and advanced school chemistry hosted by University of Liverpool
Explore bonding orbitals in other small molecules Hydrogen|Fluorine|Nitrogen|Hydrogen Fluoride|Carbon Monoxide|Methane|Ammonia|Ethylene|Acetylene|Allene|Formaldehyde|Benzene How useful was this page? Click on a star to rate it! Submit Rating Average rating4.7/ 5. Vote count:27 ...
Exploring the electronic structure of 2,6-stelladione from momentum space I: the p-dominant molecular orbitals in the outer valence shelltrimerisation1-hexenechromium cyclopentadiene-based catalystalkyl aluminiumcyclopentadieneoligomerisationThe p-electron dominant contributions to the outer valence shell of...
The conductance of molecular junctions containing one of five-atom cyclic unit cyclopentadiene, furan, and thiophene sandwiched between two gold electrodes is theoretically investigated. It shows that when the molecules are adsorbed on pyramidal protruding or single atom protruding electrode surfaces, the ...