Synthesis, characterization and quantum chemical investigation of molecular structure and vibrational spectra of 2,5-dichloro-3,6-bis-(methylamino)1,4-benzoquinone

Quantum chemical investigation on molecular structure, vibrational, photophysical and nonlinear optical properties of l-threoninium picrate: an admirable contender for nonlinear applications

Journal of Computational Electronics ◽

10.1007/s10825-018-1230-9 ◽

2018 ◽

Vol 17 (4) ◽

pp. 1421-1433 ◽

Cited By ~ 9

Author(s):

S. AlFaify ◽

Mohd. Shkir ◽

M. Arora ◽

Ahmad Irfan ◽

H. Algarni ◽

...

Keyword(s):

Molecular Structure ◽

Optical Properties ◽

Quantum Chemical ◽

Nonlinear Optical ◽

Nonlinear Optical Properties ◽

Chemical Investigation ◽

Quantum Chemical Investigation of Structures, Rotational Barriers, and Vibrational Spectra of the Rotamers of Ethyl Nitrite (CH3CH2ONO)

The Journal of Physical Chemistry A ◽

10.1021/jp9706590 ◽

1997 ◽

Vol 101 (30) ◽

pp. 5580-5586 ◽

Cited By ~ 10

Author(s):

H. U. Suter ◽

M. Nonella

Keyword(s):

Vibrational Spectra ◽

Quantum Chemical ◽

Chemical Investigation ◽

Rotational Barriers ◽

Ethyl Nitrite

A gas-phase electron diffraction and quantum chemical investigation of the molecular structure of 1-bromosilacyclobutane

Journal of Molecular Structure ◽

10.1016/j.molstruc.2010.01.066 ◽

2010 ◽

Vol 978 (1-3) ◽

pp. 234-245 ◽

Cited By ~ 1

Author(s):

M. Dakkouri ◽

V.P. Novikov ◽

L.V. Vilkov

Keyword(s):

Molecular Structure ◽

Electron Diffraction ◽

Gas Phase ◽

Quantum Chemical ◽

Chemical Investigation ◽

Gas Phase Electron Diffraction

Quantum chemical investigation of epoxide and ether groups in graphene oxide and their vibrational spectra

Physical Chemistry Chemical Physics ◽

10.1039/c3cp00094j ◽

2013 ◽

Vol 15 (11) ◽

pp. 3725 ◽

Cited By ~ 28

Author(s):

Alister J. Page ◽

Chien-Pin Chou ◽

Buu Q. Pham ◽

Henryk A. Witek ◽

Stephan Irle ◽

...

Keyword(s):

Graphene Oxide ◽

Vibrational Spectra ◽

Quantum Chemical ◽

Chemical Investigation ◽

Conformational equilibrium, IR and Raman vibrational spectra of the quercetin molecule in different solvents: A comprehensive quantum-chemical investigation

Chemical Physics Impact ◽

10.1016/j.chphi.2021.100033 ◽

2021 ◽

pp. 100033

Author(s):

Ol'ha O. Brovarets ◽

Dmytro M. Hovorun

Keyword(s):

Vibrational Spectra ◽

Quantum Chemical ◽

Conformational Equilibrium ◽

Chemical Investigation ◽

Ir And Raman

Molecular structure, the quantum chemical investigation and the thermal behavior of the dimethylamine salt of 3-nitro-1,2,4-triazol-5-one, (CH3)2NH2+C2N4O3H−

Journal of Molecular Structure THEOCHEM ◽

10.1016/j.theochem.2004.03.018 ◽

2004 ◽

Vol 678 (1-3) ◽

pp. 217-222 ◽

Cited By ~ 14

Author(s):

Haixia Ma ◽

Jirong Song ◽

Rongzu Hu ◽

Gaohong Zhai ◽

Kangzhen Xu ◽

...

Keyword(s):

Molecular Structure ◽

Thermal Behavior ◽

Quantum Chemical ◽

Chemical Investigation ◽

Molecular structure, quantum chemical investigation, and thermal behavior of (DNAZ-CO)2

Journal of Structural Chemistry ◽

10.1134/s0022476612030171 ◽

2012 ◽

Vol 53 (3) ◽

pp. 534-541 ◽

Cited By ~ 4

Author(s):

H. X. Ma ◽

N. N. Zhao ◽

B. Yan ◽

Y. L. Guan ◽

J. F. Li ◽

...

Keyword(s):

Molecular Structure ◽

Thermal Behavior ◽

Quantum Chemical ◽

Chemical Investigation ◽

An integrated experimental and quantum-chemical investigation on the vibrational spectra of chlorofluoromethane

The Journal of Chemical Physics ◽

10.1063/1.4825380 ◽

2013 ◽

Vol 139 (16) ◽

pp. 164302 ◽

Cited By ~ 29

Author(s):

Andrea Pietropolli Charmet ◽

Paolo Stoppa ◽

Nicola Tasinato ◽

Santi Giorgianni ◽

Vincenzo Barone ◽

...

Keyword(s):

Vibrational Spectra ◽

Quantum Chemical ◽

Chemical Investigation ◽

Quantum Chemical Investigation of the Relationship Between Molecular Structure and Corrosion Inhibition Efficiency of Benzotriazole and its Alkyl-Derivatives on Iron

Protection of Metals and Physical Chemistry of Surfaces ◽

10.1134/s2070205118010215 ◽

2017 ◽

Vol 53 (6) ◽

pp. 1139-1149 ◽

Cited By ~ 4

Author(s):

Kürşat Efil ◽

I. B. Obot

Keyword(s):

Molecular Structure ◽

Corrosion Inhibition ◽

Quantum Chemical ◽

Inhibition Efficiency ◽

Chemical Investigation ◽

Alkyl Derivatives ◽

Corrosion Inhibition Efficiency ◽

The Relationship

Quantum-Chemical Investigation of Molecular Structure and Thermodynamic Properties of Spiropyran Molecules

ECS Meeting Abstracts ◽

10.1149/ma2018-01/36/2108 ◽

2018 ◽

Keyword(s):

Molecular Structure ◽

Thermodynamic Properties ◽

Quantum Chemical ◽

Chemical Investigation ◽