Electronic processes in supramolecular systemsa multiscale strategy combing quantum chemistry and po

来源 :The 15th ICQC International Congress of Quantum Chemistry(第1 | 被引量 : 0次 | 上传用户：jianghulong007

【摘要】

：

Excited state processes are of capital importance in many natural and artificial supramolecular systems.However the detailed understanding of the mechanisms bey

【作者】

：

Benedetta Mennucci

【机构】

：

DepartmentofChemistry,UniversityofPisa,viaG.Moruzzi3,56124PisaItaly

【出处】

：

The 15th ICQC International Congress of Quantum Chemistry(第1

【发表日期】

：

2015年6期

下载到本地 , 更方便阅读

下载此文赞助VIP

声明 : 本文档内容版权归属内容提供方 , 如果您对本文有版权争议 , 可与客服联系进行内容授权或下架

论文部分内容阅读

Excited state processes are of capital importance in many natural and artificial supramolecular systems.However the detailed understanding of the mechanisms beyond them is still an open problem due to the complex network of interactions and the various time and length scales involved which prevent the application of accurate quantum mechanical methods.

其他文献

Study Of Microvias Fabrication On AlN Substrates By Using A Femtosecond Laser

　　High thermal conductivity and high electrical resistivity of ceramics make them ideal interposer materials for three-dimensional integrated circuits.

会议

aluminum nitride substratefemtosecond lasermicrovias

A single theory for some quasi-static,supersonic,atomic,and tectonic scale applications of dislocati

We describe a model based in continuum mechanics that reduces the study of a significant class of problems of discrete dislocation dynamics to questions of the

会议

Antisymmetric products of nonorthogonal geminalsa new twist on an old approach to strong electron co

The correlation between different electrons motions is mostly local(electrons that are far from each other tend to move independently) and it is dominated by th

会议

Avoiding the Born-Oppenheimer separation between electrons and protonsexplicitly correlated wavefunc

Recent advances in the development of the nuclear-electronic orbital(NEO) approach will be presented.In this approach,selected nuclei are treated quantum mechan

会议

Modelling absorption and emission spectra of organic dyes

During this lecture,I will illustrate how Time-Dependent Density Functional Theory(TD-DFT) can be sucessfully used to simulate the properties of electronically

会议

Singlet fissiontoward design rules for sensitizers

Singlet fission is a photophysical process in which a singlet excited molecule shares some of its energy with a nearby ground state molecule to produce two trip

会议

Getting around density functional approximations using concepts from density functional theory

The adiabatic connection in density functional theory provides a series of model Hamiltonians.Could such Hamiltonians be used for providing physically reasonabl

会议

Ab-initio semiclassical dynamics

Quantum dynamics is ubiquitous in chemistry;it underlies photochemistry,electron transfer processes,nonradiative transitions,spectroscopy and much more.Yet quan

会议

Electron correlation and relativity for functional materials

The inclusion of the effects of clcctron correlation and relativity may complicate accurate quantum chemical study of molecules and materials,on the other hand

会议

Spectroscopy and magnetism of lanthanide complexes from multireference methods and ab initio Ligand

Applications in optical and magnetic dewices have renewed the interest for the rationalization of spectroscopic and magnetic properties of lanthanide complexes

会议

Electronic processes in supramolecular systemsa multiscale strategy combing quantum chemistry and po

其他学术论文