Handbook of Computational Chemistry

• Συγγραφή απο Οργανισμό/Αρχή: SpringerLink (Online service)
• Άλλοι συγγραφείς: Leszczynski, Jerzy (Επιμελητής έκδοσης), Kaczmarek-Kedziera, Anna (Επιμελητής έκδοσης), Puzyn, Tomasz (Επιμελητής έκδοσης), G. Papadopoulos, Manthos (Επιμελητής έκδοσης), Reis, Heribert (Επιμελητής έκδοσης), K. Shukla, Manoj (Επιμελητής έκδοσης)
• Μορφή: Ηλεκτρονική πηγή Ηλ. βιβλίο
• Γλώσσα: English
• Έκδοση: Cham : Springer International Publishing : Imprint: Springer, 2017.
• Έκδοση: 2nd ed. 2017.
• Θέματα: Chemistry.; Chemistry, Physical and theoretical.; Bioinformatics.; Computational biology.; Mathematical physics.; Nanotechnology.; Theoretical and Computational Chemistry.; Computational Biology/Bioinformatics.; Mathematical Applications in the Physical Sciences.; Computer Appl. in Life Sciences.

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...

Πίνακας περιεχομένων:

• From the Contents: From Quantum Theory to Computational Chemistry
• Exceptional status of chemistry
• The Position of the Clamped Nuclei Electronic Hamiltonian in Quantum Mechanics
• Remarks on Wave Function Theory and Methods.