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

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

Experimental study of partial vibrational spectra in amorphous alloys

1997 ◽  
Vol 234-236 ◽  
pp. 450-451 ◽  
Author(s):  
G.F. Syrykh ◽  
M.G. Zemlyanov ◽  
S.N. Ishmaev
Keyword(s):  
Experimental Study ◽  
Vibrational Spectra ◽  
Amorphous Alloys

scholarly journals Photocatalytic H2 generation over In2TiO5, Ni substituted In2TiO5 and NiTiO3 – a combined theoretical and experimental study

RSC Advances ◽  
2015 ◽  
Vol 5 (75) ◽  
pp. 61218-61229 ◽  
Author(s):  
A. M. Banerjee ◽  
M. R. Pai ◽  
A. Arya ◽  
S. R. Bharadwaj
Keyword(s):  
Crystal Structure ◽  
Experimental Study ◽  
Optical Absorption ◽  
Electronic Properties ◽  
Absorption Properties ◽  
H2 Generation ◽  
Ni Substitution ◽  
Consequent Effect ◽  
Photocatalytic H2 Generation

Role of Ni substitution in modifying the crystal structure, optical absorption properties and electronic properties of indium titanate, In2(1−x)Ni2xTiO5−δ (0.0 ≤ 2x ≤ 0.4) and its consequent effect on the photocatalytic properties for H2 generation.

Metal defects in HKUST-1 MOF revealed by vibrational spectroscopy: a combined quantum mechanical and experimental study

2020 ◽  
Vol 8 (21) ◽  
pp. 10796-10812 ◽  
Author(s):  
Francesco Silvio Gentile ◽  
Marianna Pannico ◽  
Mauro Causà ◽  
Giuseppe Mensitieri ◽  
Giulio Di Palma ◽  
...  
Keyword(s):  
Experimental Study ◽  
Theoretical Analysis ◽  
Ab Initio ◽  
Raman Spectra ◽  
Vibrational Spectroscopy ◽  
Vibrational Spectra ◽  
Quantum Mechanical

This paper reports an interpretation of the FTIR and Raman spectra of the HKUST-1 MOF in light of an ab initio theoretical analysis of the vibrational spectra of the framework.

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
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