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Structures, Spectra, and Electronic Properties of Halide-Water Pentamers and Hexamers, X−(H2O)5,6 (X=F,Cl,Br,I): Ab Initio Study

Journal of Chemical Physics - United States

doi 10.1063/1.1453960

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Abstract

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Date

April 1, 2002

Authors

Han Myoung Lee

Dongwook Kim

Kwang S. Kim

Publisher

AIP Publishing

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Structures, Spectra, and Electronic Properties of Halide-Water Pentamers and Hexamers, X−(H2O)5,6 (X=F,Cl,Br,I): Ab Initio Study

Journal of Chemical Physics - United States

doi 10.1063/1.1453960

Full Text

Abstract

Categories

Date

Authors

Publisher

Related search

Spin-Orbit Density Functional and Ab Initio Study of HgXn (X=F, Cl, Br, and I; N=1, 2, and 4)

Dominance of Linear 2-Coordination in Mercury Chemistry: Quasirelativistic and Nonrelativistic Ab Initio Pseudopotential Study of (HgX2)2 (X = F, Cl, Br, I, H)

Structures, Electronic Properties, Spectroscopies, and Hexagonal Monolayer Phase of a Family of Unconventional Fullerenes C64X4 (X = H, F, Cl, Br)

The Study of Structural, Elastic, Electronic and Optical Properties of CsYx I(1 − X)(Y = F, Cl, Br) Using Density Functional Theory

Supramolecular Assembly of Hetero-Halogen (F...X) or Homo-Halogen (X...X,X= F, Cl, Br, and I) Interactions in Substituted Benzanilides

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Nuclear Magnetic Shielding Constants of Halogens in X- And XO4-(X = F, Cl, Br, I) &Ndash; Relativistic and Electron-Correlation Effects &Ndash;

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