Cargando…

Theoretical and Experimental Electrostatic Potential around the m-Nitrophenol Molecule

This work concerns a comparison of experimental and theoretical results of the electron charge density distribution and the electrostatic potential around the m-nitrophenol molecule (m-NPH) known for its interesting physical characteristics. The molecular experimental results have been obtained from...

Descripción completa

Detalles Bibliográficos
Autores principales:	Drissi, Mokhtaria, Benhalima, Nadia, Megrouss, Youcef, Rachida, Rahmani, Chouaih, Abdelkader, Hamzaoui, Fodil
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	MDPI 2015
Materias:	Article
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6272371/ https://www.ncbi.nlm.nih.gov/pubmed/25741898 http://dx.doi.org/10.3390/molecules20034042

Ejemplares similares

Electron Charge Density Distribution from X-ray Diffraction Study of the M-Nitrophenol Compound in the Monoclinic Form
por: Hamzaoui, Fodil, et al.
Publicado: (2007)

Crystal structure of (2Z,5Z)-3-(4-methoxyphenyl)-2-[(4-methoxyphenyl)imino]-5-[(E)-3-(2-nitrophenyl)allylidene]-1,3-thiazolidin-4-one
por: Rahmani, Rachida, et al.
Publicado: (2016)

Molecular and crystal structure, Hirshfeld analysis and DFT investigation of 5-(furan-2-ylmethylidene)thiazolo[3,4-a]benzimidazole-2-thione
por: Khaldi, Hafsa, et al.
Publicado: (2020)

Experimental spectral characterization, Hirshfeld surface analysis, DFT/TD-DFT calculations and docking studies of (2Z,5Z)-5-(4-nitrobenzylidene)-3-N(2-methoxyphenyl)-2-N’(2-methoxyphenylimino) thiazolidin-4-one
por: Djafri, Ahmed, et al.
Publicado: (2020)

Crystal structure and Hirshfeld surface analysis of ethyl 2-{[4-ethyl-5-(quinolin-8-yloxymethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetate
por: Bahoussi, Rawia Imane, et al.
Publicado: (2017)

Crystal and molecular structure of (2Z,5Z)-3-(2-methoxyphenyl)-2-[(2-methoxyphenyl)imino]-5-(4-nitrobenzylidene)thiazolidin-4-one
por: Djafri, Ahmed, et al.
Publicado: (2017)

Tuning of the Electrostatic Potentials on the Surface of the Sulfur Atom in Organic Molecules: Theoretical Design and Experimental Assessment
por: Wang, Ziyu, et al.
Publicado: (2023)

Some theoretical aspects of electrostatic doube layers
por: Carlqvist, Per
Publicado: (1978)

Acute dapsone poisoning with methemoglobinemia: a case report
por: El Hamzaoui, Hamza, et al.
Publicado: (2022)

Experimental and theoretical model for the origin of coiling of cellular protrusions around fibers
por: Sadhu, Raj Kumar, et al.
Publicado: (2023)

Synthesis and Structural Determination of Novel 5-Arylidene-3-N(2-alkyloxyaryl)-2-thioxothiazolidin-4-ones
por: Toubal, Khaled, et al.
Publicado: (2012)

Dimethylammonium 4-nitrophenolate–4-nitrophenol (1/1)
por: Xiao, Jing-Mei
Publicado: (2010)

Transport of one electrostatic separator unit around the PS South Hall
Publicado: (1963)

(3-Pyridyl)methanaminium 4-nitrophenolate 4-nitrophenol solvate
por: Zhang, Yuan, et al.
Publicado: (2010)

Electrostatic Surface Potential as a Key Parameter in Virus Transmission and Evolution: How to Manage Future Virus Pandemics in the Post-COVID-19 Era
por: Fantini, Jacques, et al.
Publicado: (2023)

Ultrafast Spectroscopies of Nitrophenols and Nitrophenolates in Solution: From Electronic Dynamics and Vibrational Structures to Photochemical and Environmental Implications
por: Bailey-Darland, Sullivan, et al.
Publicado: (2023)

Electrostatic confinement and manipulation of DNA molecules for genome analysis
por: Kounovsky-Shafer, Kristy L., et al.
Publicado: (2017)

Effect of inoculation of Burkholderia sp. strain SJ98 on bacterial community dynamics and para-nitrophenol, 3-methyl-4-nitrophenol, and 2-chloro-4-nitrophenol degradation in soil
por: Min, Jun, et al.
Publicado: (2017)

5-Chloro-2-nitrophenol
por: Ren, Dong-mei
Publicado: (2012)

3-Methyl-4-nitrophenol
por: Dong, Su-Lan, et al.
Publicado: (2012)

2-Methyl-4-nitrophenol
por: Bi, Sheng, et al.
Publicado: (2009)

Biodegradation of p-nitrophenol by engineered strain
por: Xu, Jing, et al.
Publicado: (2021)

Variations in the Electrostatic Landscape of Class II Human Leukocyte Antigen Molecule Induced by Modifications in the Myelin Basic Protein Peptide: A Theoretical Approach
por: Agudelo, William A., et al.
Publicado: (2009)

Identification of ions in experimental electrostatic potential maps
por: Wang, Jimin, et al.
Publicado: (2018)

GABA receptor associated protein changes the electrostatic environment around the GABA type A receptor
por: Irwin, Benedict W. J., et al.
Publicado: (2021)

Conformation and vibrational spectroscopic analysis of 2,6-bis(4-fluorophenyl)-3,3-dimethylpiperidin-4-one (BFDP) by DFT method: A potent anti-Parkinson’s, anti-lung cancer, and anti-human infectious agent
por: Arumugam, Thangamani, et al.
Publicado: (2023)

Voltammetric Behavior of o-Nitrophenol and Damage to DNA
por: Zhang, Da-Peng, et al.
Publicado: (2008)

2-Amino-4-nitrophenol monohydrate
por: Tanak, Hasan, et al.
Publicado: (2010)

Morpholine–4-nitrophenol (1/2)
por: Muralidharan, Srinivasan, et al.
Publicado: (2012)

4-Nitrophenol–piperazine (2/1)
por: Nagapandiselvi, Perumal, et al.
Publicado: (2013)

Crystal structure of piperidinium 4-nitrophenolate
por: Sowmya, N. Swarna, et al.
Publicado: (2014)

Theoretical structures of molecules
por: Rague Schleyer, P
Publicado: (1994)

Theoretical structures of molecules
por: Schleyer, P V R, et al.
Publicado: (1993)

Thermal, dielectric, mechanical and structural behavior of 2-amino 4-methylpyridinium 4-nitrophenolate 4-nitrophenol bulk single crystal
por: Karuppusamy, S., et al.
Publicado: (2023)

Recent Theoretical and Experimental Progress in Circularly Polarized Luminescence of Small Organic Molecules
por: Chen, Naibo, et al.
Publicado: (2018)

Quantum-state-dependent decay rates of electrostatically trapped Rydberg NO molecules
por: Rayment, M. H., et al.
Publicado: (2021)

A theoretical study of chemical bonding and topological and electrostatic properties of the anti-leprosy drug dapsone
por: Rajendran, Niranjana Devi, et al.
Publicado: (2020)

l-Tryptophan 4-nitrophenol trisolvate
por: Rodrigues, V. H., et al.
Publicado: (2012)

Bioremediation of p-Nitrophenol by Pseudomonas putida 1274 strain
por: Samuel, Melvin S, et al.
Publicado: (2014)

Riboflavin based conjugated biomolecule for ultrasensitive detection of nitrophenols
por: Kalita, Bandita, et al.
Publicado: (2021)

Cannot write session to /tmp/vufind_sessions/sess_skvmd3pd1eefggtenodhm60rg4