论文部分内容阅读
Theoretical study of the dehydration and deamination reactions of adducts of hydroxyl radical induce
【机 构】
:
Department of Chemistry,University of the Fraser Valley,Canada
【出 处】
:
The 15th ICQC International Congress of Quantum Chemistry(第1
【发表日期】
:
2015年期
其他文献
Vibrational spectra of molecular crystals from a periodic boundary condition generalized energy-base
会议
General implementation of the resolution-of-the-identity and Cholesky representations of electron re
会议
In this presentation,we report the two-component relativistic density functional theory(DFT) calculations within the exact two-component(X2C) frameworks for the
会议
Bonding is a glue of chemical matter.Despite the fact that electron pairing remains the bonding mechanism in the great majority of molecules,in the past few dec
会议
会议
Role of encapsulated metal cation in the reactivity and regioselectivity of the C60 Diels-Alder reac
会议
Heavy-atom tunneling in automerization of cyclobutadiene:variation transition state theory and high-
会议
The 1,3∑-g,u manifolds of the H2 molecule are in an energy region delimited by the 2∑+u(2pσu) and the 2πu(2pπu)ionization thresholds of the H2+ion,an energ
会议