The solvent (water) and metal effects on HOMO-LUMO gaps of guanine base pair: A computational study

Title
The solvent (water) and metal effects on HOMO-LUMO gaps of guanine base pair: A computational study
Authors
Keywords
Guanine dimer, Metal-DNA, Energy gap, NBO analysis, DFT
Journal
JOURNAL OF MOLECULAR GRAPHICS & MODELLING
Volume 74, Issue -, Pages 265-272
Publisher
Elsevier BV
Online
2017-04-19
DOI
10.1016/j.jmgm.2017.04.015

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