Justo González; Pablo A Jiménez; Awilda González; Nohemi Pagán; Raúl Zaldivar; Juan S Rodriguez; Geritza Olivella Santana Editorial Unilit (2022) Pehmeäkantinen kirja
Lorna Uden; Emilio S. Corchado Rodríguez; Juan F. De Paz Santana; Fernando De la Prieta Springer-Verlag Berlin and Heidelberg GmbH & Co. KG (2012) Pehmeäkantinen kirja
Lorna Uden (ed.); Leon S.L. Wang (ed.); Juan Manuel Corchado Rodríguez (ed.); Hsin-Chang Yang (ed.); I-Hsien Ting (ed.) Springer (2013) Kovakantinen kirja
Advances in Quantum Chemical Topology Beyond QTAIM provides a complete overview of the field, starting with traditional methods and then covering key steps to the latest state-of-the-art extensions of QTAIM. The book supports researchers by compiling and reviewing key methods, comparing different algorithms, and providing computational results to show the efficacy of the approaches. Beginning with an introduction to quantum chemistry, QTAIM and key extensions, the book goes on to discuss interacting quantum atoms and related energy properties, explores partitioning methods, and compares algorithms for QTAIM. Partitioning schemes are them compared in more detail before applications are explored and future developments discussed.
Drawing together the knowledge of key authorities in the area, this book provides a comprehensive, pedogeological guide to this insightful theory for all those interested in modelling, exploring and understanding molecular properties.
