Zobrazeno 1 - 10
of 19
pro vyhledávání: '"Olivier Holtomo"'
Atmospheric implications of aminomethylphosphonic acid promoted binary nucleation of water molecules
Publikováno v:
Chemical Thermodynamics and Thermal Analysis, Vol 16, Iss , Pp 100149- (2024)
Aminomethylphosphonic acid (AMPA) is the main metabolite of glyphosate and phosphonate, the major constituents of herbicides and insecticides used nowadays in modern agriculture and treatment of environmental refuge and sewage. Through these activiti
Externí odkaz:
https://doaj.org/article/c781570691774d658f7bc909df9cf1b7
Publikováno v:
Chemical Thermodynamics and Thermal Analysis, Vol 15, Iss , Pp 100134- (2024)
Protonation and deprotonation reactions play an important role in the biological processes. Such processes are fully thermodynamic and occur in complex media where functional groups are surrounded by other chemicals such as molecules, ions, water, et
Externí odkaz:
https://doaj.org/article/ad4301a73f224b209fdca6221190d05a
Publikováno v:
AIP Advances, Vol 13, Iss 2, Pp 025359-025359-12 (2023)
The solvent effects on the structures and nuclear magnetic resonance spectroscopy of a series of three pro-lithospermate molecules are studied. These molecules include methyl pro-lithospermate, ethyl pro-lithospermate, and n-butyl pro-lithospermate,
Externí odkaz:
https://doaj.org/article/bd9ef8ca79dc470189361a12b2274115
Publikováno v:
AIP Advances, Vol 11, Iss 3, Pp 035113-035113-11 (2021)
A collection of indirect spin–spin coupling constants (SSCCs) including 3J(H,H), nJ(C,H) (n = 1–3), nJ(H,F) (n = 3, 4), and nJ(H,Cl) (n = 2, 3) were assessed in the non-empirical density functional theory (DFT) framework for the stereoisomers of
Externí odkaz:
https://doaj.org/article/07ab0f2763554efcb8993fdc710396e1
Publikováno v:
Pure and Applied Chemistry. 93:1197-1211
In order to understand the atmospheric implication of the chlorinated hydrofluoroolefin (HFO), the geometrical structures and the IR absorption cross sections of the stereoisomers 1-chloro-3,3-difluoropropene were studied using the B3LYP/6-31G(3df) a
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::9eb76d6a4dfc5f4f6dae8dd545251bdc
https://doi.org/10.1515/pac-2021-0116
https://doi.org/10.1515/pac-2021-0116
Publikováno v:
RSC Advances. 11:16404-16418
The rate constant of the reactions of ˙OH radicals with glyphosate (GPS) and its hydrates (GPS(H2O)n=1–3) were evaluated using the dual method M06-2X/6-311++G(df,p)//6-31+G(df,p) over the temperature range of 200–400 K. The results served to est
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::44f2d3f9f9e319dfcdffd88541e63464
https://doi.org/10.1039/d1ra01591e
https://doi.org/10.1039/d1ra01591e
Publikováno v:
The Journal of Physical Chemistry A. 123:10437-10445
The accurate assessment of radiative forcing efficiency (RFE) of a greenhouse gas is based on the precise knowledge of its structure and infrared absorption spectrum. The present work investigates the UV-vis absorption spectra and IR absorption spect
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::485af982c636433dcc66a9de21e825a1
https://doi.org/10.1021/acs.jpca.9b08089
https://doi.org/10.1021/acs.jpca.9b08089
Publikováno v:
Computational and Theoretical Chemistry. 1214:113798
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::5e3ea713c98097815da6e8582ad1dd5b
https://doi.org/10.1016/j.comptc.2022.113798
https://doi.org/10.1016/j.comptc.2022.113798
Publikováno v:
Journal of molecular graphicsmodelling. 106
The atmospheric implication of the hydrofluoroolefines (HFO) CF
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=pmid________::6703b6df1cf6c82f4e640935e47a25b5
https://pubmed.ncbi.nlm.nih.gov/33984816
https://pubmed.ncbi.nlm.nih.gov/33984816
Autor:
Olivier Holtomo, Ousmanou Motapon, Ayiseh Frederick Tandong, Hamadou Hadidjatou, Mama Nsangou
Publikováno v:
Journal of Molecular Modeling. 26
The present work investigates the infrared spectra and solvation free energies (SE) of PEHA ((E)-2-(Pyridin-2-yl) ethyl 3-(3,4-dihydroxyphenyl) acrylate) and their impact on the oxidation. The latter was examined through the ionization potential para
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::81495e496ac47e4db0f7ea0be8565e8e
https://doi.org/10.1007/s00894-020-04584-1
https://doi.org/10.1007/s00894-020-04584-1