Open AccessA DFT/ECP-Small Basis Set Modelling of Cisplatin: Molecular Structure and Vibrational Spectrum
Author(s) -
Nicolay I. Dodoff
Publication year - 2012
Publication title -
computational molecular bioscience
Language(s) - English
Resource type - Journals
eISSN - 2165-3453
pISSN - 2165-3445
DOI - 10.4236/cmb.2012.22004
Subject(s) - basis set , chemistry , molecule , atom (system on chip) , vibrational spectrum , molecular vibration , basis (linear algebra) , symmetry (geometry) , computational chemistry , density functional theory , bond length , atomic physics , molecular physics , physics , mathematics , geometry , computer science , organic chemistry , embedded system