المصدر: كتاب : Discovering Chemistry With Natural Bond Orbitals في منتدى : قسم الكيمياء Discovering Chemistry With Natural Bond Orbitals Discovering Chemistry With Natural Bond Orbitals By Frank Weinhold 2012 | 336 Pages | ISBN: 1118119967 | PDF | 7 MB This book explores chemical bonds, their intrinsic energies, and the corresponding dissociation energies which are relevant in reactivity problems. It offers the first book on conceptual quantum chemistry, a key area for understanding chemical principles and predicting chemical properties. It presents NBO mathematical algorithms embedded in a well-tested and widely used computer program (currently, NBO 5.9). While encouraging a "look under the hood" (Appendix A), this book mainly enables students to gain proficiency in using the NBO program to re-express complex wavefunctions in terms of intuitive chemical concepts and orbital imagery. link هذا المحتوى يظهر للاعضاء المسجلين فقط: هذا المحتوى يظهر للاعضاء المسجلين فقط:
