Atmospheric reactions of glyoxal with NO2 and NH2 radicals: Hydrogen abstraction mechanism and natural bond orbital analysis

Supplement of Instrument inter-comparison of glyoxal, methyl glyoxal and NO2 under simulated atmospheric conditions

Atmospheric condensed-phase reactions of glyoxal with methylamine

[1] Glyoxal reacts withmethylamine in drying cloud droplet/ aerosol surrogates to form high molecular mass oligomers along with smaller amounts of 1,3-dimethylimidazole and light-absorbing compounds. The patterns observed by highresolution time-of-flight aerosol mass spectrometry indicate that oligomers form from repeated imine units. The reactions are 1st order in each reactant: rate-limiting ...

Natural Bond Orbital (NBO) Population Analysis of Iridabenzene (C5H5Ir)(PH3)3

The molecular structure of iridabenzene (C5 H5 Ir)(PH3 )3 was calculated by the B3LYP density functional model using LANL2DZ basis set for Ir and 6-31G(d) for other atoms. The results from natural bond orbital (NBO) analysis have provided new insights into Ir–ligand bonding, the hybridization of atoms and the electronic structure of the title molecule. The NBO calculations show that σ(Ir-C2) bo...

Quantum Mechanic Studies of Natural Bond Orbital & Stabilities of [CuCH2SiMe3]4Complexes With Different Halogens

The asymmetric unit of the title compound,  Contains two independent molecules. The Cu atoms are four coordinated in distorted tetrahedral configuration by two atoms from 5,5`-dimethyl-2,2`- bipyridine and two terminal atoms. In the Cuystal structure, inter molecular hydrogen bonds link the molecules. The are  contacts between the methyl groups and the pyridine and five member rings containing ...

a comparison of teachers and supervisors, with respect to teacher efficacy and reflection

supervisors play an undeniable role in training teachers, before starting their professional experience by preparing them, at the initial years of their teaching by checking their work within the proper framework, and later on during their teaching by assessing their progress. but surprisingly, exploring their attributes, professional demands, and qualifications has remained a neglected theme i...