Structures, energies, vibrational spectra, and electronic properties of water monomer to decamer

2000 ◽  
Vol 112 (22) ◽  
pp. 9759-9772 ◽  
Author(s):  
Han Myoung Lee ◽  
Seung Bum Suh ◽  
Jin Yong Lee ◽  
P. Tarakeshwar ◽  
Kwang S. Kim
Keyword(s):  
Electronic Properties ◽  
Vibrational Spectra

Erratum: “Structures, energies, vibrational spectra, and electronic properties of water monomer to decamer” [J. Chem. Phys. 112, 9759 (2000)]

2001 ◽  
Vol 114 (7) ◽  
pp. 3343-3343 ◽  
Author(s):  
Han Myoung Lee ◽  
Seung Bum Suh ◽  
Jin Young Lee ◽  
P. Tarakeshwar ◽  
Kwang S. Kim
Keyword(s):  
Electronic Properties ◽  
Vibrational Spectra ◽  
Chem Phys

Electronic properties and vibrational spectra of (NH4)2M″(SO4)2·6H2O (M = Ni, Cu) Tutton's salt: DFT and experimental study

2019 ◽  
Vol 218 ◽  
pp. 281-292 ◽  
Author(s):  
Santunu Ghosh ◽  
Saif Ullah ◽  
João P.A. de Mendonça ◽  
Luciano G. Moura ◽  
Marcos G. Menezes ◽  
...  
Keyword(s):  
Experimental Study ◽  
Electronic Properties ◽  
Vibrational Spectra

scholarly journals Probing the properties of size dependence and correlation for tantalum clusters: geometry, stability, vibrational spectra, magnetism, and electronic structure

RSC Advances ◽  
2019 ◽  
Vol 9 (2) ◽  
pp. 1015-1028 ◽  
Author(s):  
Xibo Li ◽  
Yuqi Chen ◽  
Pradip Basnet ◽  
Jiangshan Luo ◽  
Hongyan Wang
Keyword(s):  
Density Functional Theory ◽  
Electronic Structure ◽  
Electronic Properties ◽  
Vibrational Spectra ◽  
Relative Stability ◽  
Density Functional ◽  
Size Dependence ◽  
Equilibrium Geometry ◽  
Comprehensive Investigation ◽  
Functional Theory

A comprehensive investigation on the equilibrium geometry, relative stability, vibrational spectra, and magnetic and electronic properties of neutral tantalum clusters (Tan, n = 2–17) was performed using density functional theory (DFT).

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