.IntroductionSince the early work of Mulliken, 1 when one desires tocharacterize the chemical structure of a certain molecule, thefirst attempts usually point toward density-based descriptors.Most popular indicators of electron distribution in a moleculeare the electron population and the bond order. ...
Bondorder is an important concept for understanding the natureof a chemical bond. In this work, we propose a novel definition ofbond order, called the Laplacian bond order (LBO), which is definedas a scaled integral of negative parts of the Laplacian of electrondensity in fuzzy overlap space...
aThis order is for new city town construction project. 这顺序是为新的城市镇建造计划。[translate] aI Said it's no matter,i don't mind! 我说它是没有问题,我不介意![translate] aLet the storm more intense! 让风暴更加强烈![translate] ...
aIn the free ylide, the lone pair on C atom could share with S in a pp–dp interaction and produces a bond order greater than 1 for S–C. But in S1, S2, and S3 complexes these lone has been involved in the HC interaction and less could share with the S atom in the pp–dp int...
Bondorderisanimportantconceptforunderstandingthenatureofa chemicalbond.Inthiswork,weproposeanoveldefinitionofbondorder,calledthe Laplacianbondorder(LBO),whichisdefinedasascaledintegralofnegativepartsof theLaplacianofelectrondensityinfuzzyoverlapspace.Manyremarkablefeaturesof LBOareexemplifiedbynumerous...