Search Results - "Jules Fifen, Jean"

Structure and Spectroscopy of Hydrated Sodium Ions at Different Temperatures and the Cluster Stability Rules by Fifen, Jean Jules, Agmon, Noam

“…The sodium cation plays an important role in several physiological processes. Understanding its solvation may help understanding ion selectivity in sodium…”
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Determination of the absolute solvation free energy and enthalpy of the proton in solutions by Malloum, Alhadji, Fifen, Jean Jules, Conradie, Jeanet

“…The absolute solvation energies (free energy and enthalpy) of the proton in solution is of great importance for biological and chemical processes in that…”
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Beryllium ion coordination in Ammonia, methanol and water solvents by Hattab, Awatef, Dhaouadi, Zoubeida, Lahmar, Souad, Malloum, Alhadji, Jules Fifen, Jean, Russo, Nino, Toscano, Marirosa

“…•Be is a key component of materials indispensable in today’s industries and its solvation behavior is a topic of interest.•The study highlight the coordination…”
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Solvation energies of the ferrous ion in water and in ammonia at various temperatures by Boukar, Ousman, Fifen, Jean Jules, Conradie, Jeanet, Conradie, Marrigje Marianne

“…Context The solvation of metal ions is crucial to understanding relevant properties in physics, chemistry, or biology. Therefore, we present solvation…”
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Adsorption of some cationic dyes onto two models of graphene oxide by Mounra, Emma, Malloum, Alhadji, Fifen, Jean Jules, Conradie, Jeanet

“…Context: The search for highly efficient adsorbent materials remains a significant requirement in the field of adsorption for wastewater treatment…”
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Structures of protonated methanol clusters and temperature effects by Fifen, Jean Jules, Nsangou, Mama, Dhaouadi, Zoubeida, Motapon, Ousmanou, Jaidane, Nejm-Eddine

“…The accurate evaluation of pKa's, or solvation energies of the proton in methanol at a given temperature is subject to the determination of the most favored…”
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Rotational thermodynamic parameters for symmetric-top, linear-top and spherical-top molecules: classical versus quantum approach and New analytical partition functions by Djefoulna, Victorien Hermann Haiwang, Fifen, Jean Jules, Malloum, Alhadji, Jaidane, Nejm-Eddine

“…We investigated classical and quantum rotational partition functions, rotational energies and rotational entropies for linear-, spherical- and symmetric-top…”
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Structures and relative stabilities of ammonia clusters at different temperatures: DFT vs. ab initio by Malloum, Alhadji, Fifen, Jean Jules, Dhaouadi, Zoubeida, Engo, Serge Guy Nana, Jaidane, Nejm-Eddine

“…A hydrogen bond network in ammonia clusters plays a key role in understanding the properties of species embedded in ammonia. This network is dictated by the…”
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Rotational thermodynamic parameters for asymmetric-top molecules: classical vs. quantum approaches and new analytical partition function by Haiwang Djefoulna, Victorien Hermann, Abia, Daouda, Jules Fifen, Jean, Nsangou, Mama, Jaidane, Nejm-Eddine

“…We investigated classical and quantum rotational partition functions, rotational energies and rotational entropies for asymmetric-top molecules in a canonical…”
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Potential energy surfaces of the Cu2+(MeOH)n=1-8 clusters in solution phase by Da-yang, Tabouli Eric, Fifen, Jean Jules, Nsangou, Mama, Conradie, Jeanet

“…[Display omitted] In the present work, we have studied the effects of the implicit solvent on the structural and energetic parameters of Cu2+(MeOH)n=1-8…”
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Anticonvulsant effects of Senna spectabilis on seizures induced by chemicals and maximal electroshock by Nkamguie Nkantchoua, Gisele Claudine, Kameni Njapdounke, Jacqueline Stephanie, Jules Fifen, Jean, Sotoing Taiwe, Germain, Josiane Ojong, Lucie, Kavaye Kandeda, Antoine, Ngo Bum, Elisabeth

“…Senna spectabilis (Fabaceae) is one of the medicinal plants used in Cameroon by traditional healers to treat epilepsy, constipation, insomnia, anxiety. The…”
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Revision of the Thermodynamics of the Proton in Gas Phase by Fifen, Jean Jules, Dhaouadi, Zoubeida, Nsangou, Mama

“…Proton transfer is ubiquitous in various physical/chemical processes, and the accurate determination of the thermodynamic parameters of the proton in the gas…”
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Thermodynamics of the Electron Revisited and Generalized by Fifen, Jean Jules

“…The accurate evaluation of redox potentials in various media and the ability of electron transfer in some biological or chemical reactions are subject to the…”
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Exploration of the potential energy surfaces of the Cu 2 + ( MeOH ) n = 9 , 10 clusters: Solvent phase vs gas phase by Da-yang, Tabouli Eric, Fifen, Jean Jules, Conradie, Jeanet

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Structures, binding and clustering energies of Cu2+(MeOH)n=1-8 clusters and temperature effects: A DFT study by Da-yang, Tabouli Eric, Alhameedi, Khidhir, Fifen, Jean Jules, Nsangou, Mama

“…[Display omitted] •The News structures of Cu2+(MeOH)n=1-8 clusters are presented in the literature and obeys at the stability rule.•The Cu2+ ion is hexa-,…”
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Structures, spectroscopy, binding and clustering energies of the hydrated copper dication clusters by Da-yang, Tabouli Eric, Fifen, Jean Jules, Dhaouadi, Zoubeida, Nsangou, Mama, Conradie, Jeanet

“…The hydration-free energy of the Cu2+ cation stands as a crucial parameter for comprehending its reactivity with various molecules. However, the existing…”
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Clusters of solvated ferrous ion in water–ammonia mixture: Structures and noncovalent interactions by Boukar, Ousman, Malloum, Alhadji, Nsangou, Mama, Fifen, Jean Jules, Conradie, Jeanet

“…The behavior of metal ions is commonly studied in pure solvent although, in our daily life, these metals are involved in mixtures of solvents. In the present…”
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Structures, binding energies, temperature effects, infrared spectroscopy of [Mg(NH3)n = 1−10]+ clusters from DFT and MP2 investigations by Hattab, Awatef, Dhaouadi, Zoubeida, Malloum, Alhadji, Fifen, Jean Jules, Lahmar, Souad, Russo, Nino, Sicilia, Emilia

“…The possible isomers of [Mg(NH3)n = 1 − 10]+ clusters have been investigated using both M06‐2X/6‐31++G(d,p) and MP2/6‐31++G(d,p) levels of theory. The isomeric…”
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Solvent effects on the structures of the hydrated copper dication clusters by Da-yang, Tabouli Eric, Fifen, Jean Jules, Nsangou, Mama, Conradie, Jeanet

“…Understanding the solvation process requires an understanding of how the solvent affects the molecular cluster configurations. The current study examined the…”
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Solvation energies of ferrous ion in methanol at various temperatures by Boukar, Ousman, Fifen, Jean Jules, Malloum, Alhadji, Nsangou, Mama, Ghalila, Hassen, Conradie, Jeanet

“…[Display omitted] •Solvated ferrous ion in methanol is hexa-coordinated.•Accurate free energy and enthalpy of the solvated ferrous ion in methanol…”
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