Density functional study of isoguanine tetrad and pentad sandwich complexes with alkali metal ions

Density functional study of ion hydration for the alkali metal ions (Li+,Na+,K+) and the halide ions (F−,Br−,Cl−)

The Journal of Chemical Physics ◽

10.1063/1.2218338 ◽

2006 ◽

Vol 125 (5) ◽

pp. 054305 ◽

Cited By ~ 43

Author(s):

Christian Krekeler ◽

Berk Hess ◽

Luigi Delle Site

Keyword(s):

Alkali Metal ◽

Metal Ions ◽

Density Functional ◽

Functional Study ◽

Alkali Metal Ions ◽

Halide Ions ◽

Ion Hydration ◽

Potential Energy Surfaces for the Gas-Phase Interaction between α-Alanine and Alkali Metal Ions (Li+, Na+, K+). A Density Functional Study

Inorganic Chemistry ◽

10.1021/ic010196j ◽

2001 ◽

Vol 40 (25) ◽

pp. 6439-6443 ◽

Cited By ~ 45

Author(s):

Tiziana Marino ◽

Nino Russo ◽

Marirosa Toscano

Keyword(s):

Alkali Metal ◽

Potential Energy ◽

Metal Ions ◽

Gas Phase ◽

Potential Energy Surfaces ◽

Density Functional ◽

Functional Study ◽

Alkali Metal Ions ◽

Phase Interaction ◽

Energy Surfaces

Guanine tetrad interacting with divalent metal ions (M=Fe2+, Co2+, Ni2+, Cu2+ and Zn2+): A density functional study

Journal of Molecular Structure THEOCHEM ◽

10.1016/j.theochem.2007.12.021 ◽

2008 ◽

Vol 854 (1-3) ◽

pp. 26-30 ◽

Cited By ~ 5

Author(s):

Fancui Meng ◽

Faping Wang ◽

Xian Zhao ◽

Abraham F. Jalbout

Keyword(s):

Metal Ions ◽

Density Functional ◽

Divalent Metal ◽

Functional Study ◽

Divalent Metal Ions ◽

Density Functional Study of Hydrogen Adsorption on Alkali Metal Doped Carbon Nanotube

Journal of Computational and Theoretical Nanoscience ◽

10.1166/jctn.2014.3498 ◽

2014 ◽

Vol 11 (5) ◽

pp. 1317-1322 ◽

Cited By ~ 8

Author(s):

S. Zeynali ◽

S. Ketabi ◽

H. R. Aghabozorg

Keyword(s):

Carbon Nanotube ◽

Alkali Metal ◽

Density Functional ◽

Hydrogen Adsorption ◽

Functional Study ◽

Metal Doped

The interaction of NOTA as a bifunctional chelator with competitive alkali metal ions: a DFT study

RSC Advances ◽

10.1039/c6ra20203a ◽

2016 ◽

Vol 6 (83) ◽

pp. 79485-79496 ◽

Cited By ~ 16

Author(s):

F. Y. Adeowo ◽

B. Honarparvar ◽

A. A. Skelton

Keyword(s):

Density Functional Theory ◽

Alkali Metal ◽

Metal Ions ◽

Density Functional ◽

Dft Study ◽

Alkali Metal Ions ◽

Functional Theory ◽

Bifunctional Chelator

This work investigates NOTA–alkali metal (Li+, Na+ and K+ and Rb+) complexation using density functional theory.

Alkali metal doped nickel oxide clusters: A density functional study

Computational and Theoretical Chemistry ◽

10.1016/j.comptc.2014.02.027 ◽

2014 ◽

Vol 1035 ◽

pp. 19-27 ◽

Cited By ~ 2

Author(s):

Sandip Kumavat ◽

Mrinalini Deshpande

Keyword(s):

Alkali Metal ◽

Nickel Oxide ◽

Density Functional ◽

Functional Study ◽

Metal Doped

Structures and relative stabilities of the novel sandwich complexes related to pentalene: a density functional study

Chemical Physics Letters ◽

10.1016/s0009-2614(98)01177-4 ◽

1998 ◽

Vol 298 (1-3) ◽

pp. 107-112 ◽

Cited By ~ 4

Author(s):

Ming-Der Su ◽

San-Yan Chu

Keyword(s):

Density Functional ◽

Functional Study ◽

The Novel ◽

Sandwich Complexes ◽

Relative Stabilities

The Explosive Sensitivity on the Complex Formation of 3-Nitro-1,2,4-Triazol-5-One and Metal Ions Based on Density Functional Study

Makara Journal of Science ◽

10.7454/mss.v20i2.5951 ◽

2016 ◽

Vol 20 (2) ◽

Cited By ~ 1

Author(s):

Saprizal Hadisaputra ◽

Niko Prasetyo

Keyword(s):

Complex Formation ◽

Metal Ions ◽

Density Functional ◽

Functional Study ◽

Explosive Sensitivity

Density functional study on zerovalent lanthanide bis(arene)-sandwich complexes

Theoretical Chemistry Accounts ◽

10.1007/s002140050481 ◽

1999 ◽

Vol 102 (1-6) ◽

pp. 121-126 ◽

Cited By ~ 12

Author(s):

Hai-gang Lu ◽

Le-min Li

Keyword(s):

Density Functional ◽

Functional Study ◽

Sandwich Complexes ◽

Density functional study of ferromagnetism in alkali metal thin films

Pramana ◽

10.1007/s12043-010-0057-0 ◽

2010 ◽

Vol 74 (4) ◽

pp. 653-659 ◽

Cited By ~ 2

Author(s):

Prasenjit Sen

Keyword(s):

Thin Films ◽

Alkali Metal ◽

Density Functional ◽

Functional Study ◽

Metal Thin Films