Theoretical chemistry and its applications

ISBN-13: 9786203835175 / Angielski / Miękka / 52 str.

Sameh Ayadi

Opis

The present manuscript aims at gathering the modeling calculation tools available in the GAUSSIAN software, which are essential for the understanding of quantum chemistry. Simple examples of molecules, reactions, reaction mechanisms have been treated in order to focus the practical work on the methods and techniques of calculations. All the data necessary to solve the problems of chemical reactivity, geometry of molecules, etc. have been presented in this book. Finally, I hope that this manuscript will be a serious addition to the learning and success of the students.

O autorze

Ayadi, Sameh AYADI Sameh: Lecturer at the National Institute of Sciences and Technologies of the Sea (INSTM) in Carthage, Tunisia. Author of 3 books, 32 publications, 3 plenary lectures, 45 oral communications and posters in the fields of: Quantum and theoretical chemistry, materials and analytical chemistry, green chemistry and its applications.