论文部分内容阅读
The nature of a B…N coordinate bond and its critical role in drug function
【机 构】
:
Kuang Yaming Honors School,Nanjing University,P.R.China
【出 处】
:
The 15th ICQC International Congress of Quantum Chemistry(第1
【发表日期】
:
2015年期
其他文献
The anisotropic effects and short-range quantum effects are essential characters in the formation of halogen bond and pnicogen bond.
会议
会议
Charge transfer processes are the driving force for many chemical phenomena.This motivates analysis of how molecular properties depend on the number of electron
会议
Ultrafast intersystem crossing(ISC) processes play a central role in the photophysics and photochemistry of a wide range of transition metal complexes.These phe
会议
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