Handbook of Computational Chemistry

• Corporate Author: SpringerLink (Online service)
• Other Authors: Leszczynski, Jerzy (Editor), Kaczmarek-Kedziera, Anna (Editor), Puzyn, Tomasz (Editor), G. Papadopoulos, Manthos (Editor), Reis, Heribert (Editor), K. Shukla, Manoj (Editor)
• Format: Electronic eBook
• Language: English
• Published: Cham : Springer International Publishing : Imprint: Springer, 2017.
• Edition: 2nd ed. 2017.
• Subjects: kvantová chemie; zpracování dat; chemoinformatika; quantum chemistry; data processing; cheminformatics; elektronické knihy; sborníky; příručky; electronic books; papers of several authors; handbooks and manuals

The first part briefly describes different methods used in computational chemistry without going into exhaustive details of theory. Basic assumptions common to the majority of computational methods based on either quantum or statistical mechanics are outlined. Particular attention is paid to the lim...