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

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

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

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

Spectrochimica Acta Part A Molecular and Biomolecular Spectroscopy ◽

10.1016/j.saa.2014.02.082 ◽

2014 ◽

Vol 129 ◽

pp. 241-254 ◽

Cited By ~ 11

Author(s):

Bhanu Pratap Singh Gautam ◽

Mayuri Srivastava ◽

R.L. Prasad ◽

R.A. Yadav

Keyword(s):

Molecular Structure ◽

Vibrational Spectra ◽

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 ◽

Conversion of CO2 and C2H6 to Propanoic Acid on an Iridium-Modified Graphene Oxide Surface: Quantum-Chemical Investigation

Industrial & Engineering Chemistry Research ◽

10.1021/ie503982t ◽

2015 ◽

Vol 54 (5) ◽

pp. 1539-1546 ◽

Cited By ~ 4

Author(s):

Chih-Chun Chen ◽

Chen-Hao Yeh ◽

Chun-Chih Chang ◽

Jia-Jen Ho

Keyword(s):

Graphene Oxide ◽

Quantum Chemical ◽

Chemical Investigation ◽

Oxide Surface ◽

Propanoic Acid ◽

Modified Graphene Oxide ◽

Modified Graphene

QUANTUM-CHEMICAL INVESTIGATION OF THE COMPLEXATION OF TITANOCENE DICHLORIDE WITH C20 AND M+@C20 (M+ = Li, Na, K) CAGES

Journal of Structural Chemistry ◽

10.1134/s0022476620110025 ◽

2020 ◽

Vol 61 (11) ◽

pp. 1681-1690

Author(s):

R. Ghiasi ◽

M. Rahimi ◽

R. Ahmadi

Keyword(s):

Quantum Chemical ◽

Chemical Investigation ◽

Titanocene Dichloride ◽

Raman spectroscopic and quantum chemical investigation of the effects of trimethylamine N‐oxide on hydrated guanidinium and hydrogen‐bonded water networks

Journal of Raman Spectroscopy ◽

10.1002/jrs.6061 ◽

2021 ◽

Author(s):

Genevieve A. Verville ◽

Mary Hannah Byrd ◽

Andrew Kamischke ◽

Shelly A. Smith ◽

David H. Magers ◽

...

Keyword(s):

Quantum Chemical ◽

Chemical Investigation ◽

Water Networks ◽

Raman Spectroscopic ◽

Hydrogen Bonded

Photo-redox coupled Co-pincer complexes for efficient decarbonylation of aryl carbonyls: A quantum chemical investigation

Molecular Catalysis ◽

10.1016/j.mcat.2021.111553 ◽

2021 ◽

Vol 507 ◽

pp. 111553

Author(s):

Animesh Chowdhury ◽

Santu Biswas ◽

Sourav Ghoshal ◽

Anup Pramanik ◽

Pranab Sarkar

Keyword(s):

Quantum Chemical ◽

Chemical Investigation ◽

Pincer Complexes ◽

Quantum Chemical Investigation of Perchloric Acid Decomposition Releasing Oxygen

The Journal of Physical Chemistry A ◽

10.1021/acs.jpca.1c04433 ◽

2021 ◽

Author(s):

Tanusree Chatterjee ◽

Stefan T. Thynell

Keyword(s):

Perchloric Acid ◽

Quantum Chemical ◽

Chemical Investigation ◽

Acid Decomposition ◽

Quantum-chemical investigation of the mechanisms of oxidation of dimethyl sulfide by hydrogen peroxide and peroxoborates

Theoretical and Experimental Chemistry ◽

10.1007/s11237-011-9176-z ◽

2011 ◽

Vol 47 (1) ◽

pp. 2-8 ◽

Cited By ~ 3

Author(s):

S. L. Litvinenko ◽

V. L. Lobachev ◽

L. M. Dyatlenko ◽

N. A. Turovskii

Keyword(s):

Hydrogen Peroxide ◽

Quantum Chemical ◽

Dimethyl Sulfide ◽

Chemical Investigation ◽