Open AccessA Simple Strategy That Uses Molecular Dynamics and Semiempirical Methods for the Conformational Searching of isomers of the Macrocycle Complex Na[Gd(DOTA)·H2O]
Author(s) -
Maria Weruska P. Oliveira,
Waldene Alexandre V. Farias,
Sidney R. Santana,
Gerd B. Rocha
Publication year - 2017
Publication title -
revista virtual de química
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.209
H-Index - 14
ISSN - 1984-6835
DOI - 10.21577/1984-6835.20170038
Subject(s) - simple (philosophy) , dota , molecular dynamics , chemistry , dynamics (music) , computational chemistry , crystallography , physics , chelation , organic chemistry , philosophy , epistemology , acoustics