Calculated geometries, vibrational spectra, energetics and electronic properties of fluorinated methanes and silanes

David A. Dixon

doi:10.1021/j100312a021

Calculated geometries, vibrational spectra, energetics and electronic properties of fluorinated methanes and silanes

The Journal of Physical Chemistry ◽

10.1021/j100312a021 ◽

1988 ◽

Vol 92 (1) ◽

pp. 86-91 ◽

Cited By ~ 45

Author(s):

David A. Dixon

Keyword(s):

Electronic Properties ◽

Vibrational Spectra

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

The Journal of Chemical Physics ◽

10.1063/1.1343077 ◽

2001 ◽

Vol 114 (7) ◽

pp. 3343-3343 ◽

Cited By ~ 17

Author(s):

Han Myoung Lee ◽

Seung Bum Suh ◽

Jin Young Lee ◽

P. Tarakeshwar ◽

Kwang S. Kim

Keyword(s):

Electronic Properties ◽

Vibrational Spectra ◽

Chem Phys

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

Spectrochimica Acta Part A Molecular and Biomolecular Spectroscopy ◽

10.1016/j.saa.2019.04.023 ◽

2019 ◽

Vol 218 ◽

pp. 281-292 ◽

Cited By ~ 6

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

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

The Journal of Chemical Physics ◽

10.1063/1.481613 ◽

2000 ◽

Vol 112 (22) ◽

pp. 9759-9772 ◽

Cited By ~ 200

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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Density functional theory studies on molecular structure, vibrational spectra and electronic properties of cyanuric acid

Spectrochimica Acta Part A Molecular and Biomolecular Spectroscopy ◽

10.1016/j.saa.2014.11.037 ◽

2015 ◽

Vol 138 ◽

pp. 711-722 ◽

Cited By ~ 10

Author(s):

M. Prabhaharan ◽

A.R. Prabakaran ◽

S. Srinivasan ◽

S. Gunasekaran

Keyword(s):

Molecular Structure ◽

Density Functional Theory ◽

Electronic Properties ◽

Vibrational Spectra ◽

Density Functional ◽

Cyanuric Acid ◽

Functional Theory

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Chain flexibility in polyheteroaromatic polymers part I. Electronic properties, structure and vibrational spectra of oligomers as models of polypyrrole and polythiophene

Synthetic Metals ◽

10.1016/0379-6779(90)90083-w ◽

1990 ◽

Vol 38 (3) ◽

pp. 299-312 ◽

Cited By ~ 46

Author(s):

J.T. Lopez Navarrete ◽

B. Tian ◽

G. Zerbi

Keyword(s):

Electronic Properties ◽

Vibrational Spectra ◽

Chain Flexibility

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Vibrational spectra, electronic properties and effect of alkyl chain length on chemical stability of nematogens – A comparision using DFT and HF methods

Molecular Crystals and Liquid Crystals ◽

10.1080/15421406.2017.1415656 ◽

2017 ◽

Vol 658 (1) ◽

pp. 69-80 ◽

Cited By ~ 1

Author(s):

Seema Prasad ◽

Durga P. Ojha

Keyword(s):

Electronic Properties ◽

Chain Length ◽

Chemical Stability ◽

Vibrational Spectra ◽

Alkyl Chain ◽

Alkyl Chain Length

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Structure, electronic properties and vibrational spectra of (MgF2)nclusters through a combination of genetic algorithm and DFT-based approach

Molecular Physics ◽

10.1080/00268976.2015.1059508 ◽

2015 ◽

Vol 113 (23) ◽

pp. 3729-3739 ◽

Cited By ~ 8

Author(s):

Soumya Ganguly Neogi ◽

Pinaki Chaudhury

Keyword(s):

Genetic Algorithm ◽

Electronic Properties ◽

Vibrational Spectra

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Molecular Structures, Vibrational Spectra, Electronic Properties, and Molecular Docking of Two Pyrazoline Derivatives Containing 1-Carboxamide and 1-Carbothioamide: A Comparative Study

Polycyclic Aromatic Compounds ◽

10.1080/10406638.2015.1099553 ◽

2016 ◽

Vol 37 (4) ◽

pp. 267-279 ◽

Cited By ~ 3

Author(s):

Abhishek Kumar ◽

Apoorva Dwivedi ◽

Ambrish Kumar Srivastava ◽

Neeraj Misra ◽

B. Narayana ◽

...

Keyword(s):

Molecular Docking ◽

Comparative Study ◽

Electronic Properties ◽

Vibrational Spectra ◽

Molecular Structures

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

RSC Advances ◽

10.1039/c8ra09240k ◽

2019 ◽

Vol 9 (2) ◽

pp. 1015-1028 ◽

Cited By ~ 1

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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Monomeric and dimeric structures, electronic properties and vibrational spectra of azelaic acid by HF and B3LYP methods

Journal of Molecular Structure ◽

10.1016/j.molstruc.2012.04.089 ◽

2012 ◽

Vol 1022 ◽

pp. 81-88 ◽

Cited By ~ 6

Author(s):

Amarendra Kumar ◽

Vijay Narayan ◽

Onkar Prasad ◽

Leena Sinha

Keyword(s):

Electronic Properties ◽

Azelaic Acid ◽

Vibrational Spectra

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Calculated geometries, vibrational spectra, energetics and electronic properties of fluorinated methanes and silanes

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

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

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

Density functional theory studies on molecular structure, vibrational spectra and electronic properties of cyanuric acid

Chain flexibility in polyheteroaromatic polymers part I. Electronic properties, structure and vibrational spectra of oligomers as models of polypyrrole and polythiophene

Vibrational spectra, electronic properties and effect of alkyl chain length on chemical stability of nematogens – A comparision using DFT and HF methods

Structure, electronic properties and vibrational spectra of (MgF2)nclusters through a combination of genetic algorithm and DFT-based approach

Molecular Structures, Vibrational Spectra, Electronic Properties, and Molecular Docking of Two Pyrazoline Derivatives Containing 1-Carboxamide and 1-Carbothioamide: A Comparative Study

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

Monomeric and dimeric structures, electronic properties and vibrational spectra of azelaic acid by HF and B3LYP methods

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