Next generation quantum theory of atoms in molecules : from stereochemistry to photochemistry and molecular devices / Samantha Jenkins, Steven Robert Kirk.
This book begins by providing a simplified version of the computational quantum chemistry sufficient to calculate the wavefunctions that are the basic input of NG-QTAIM. Enough basic (scalar) QTAIM theory is provided to understand the later chapters. In addition, our developments of scalar QTAIM are...
Full description
Saved in: