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11 . Academic Journal
Early Steps in the O
2
Scavenger Process in the Aqueous Phase: Hydrazine vs DEHA.
저자
by
Roy, Marion
;
Dahmani, Rahma
;
Vallet, Valérie
;
Masella, Michel
.
소스
Journal of Physical Chemistry A; 12/7/2023, Vol. 127 Issue 48, p10104-10117, 14p
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16 . Report
Structural and thermodynamics properties of pure phase alkanes, monoamides and alkane/monoamide mixtures with an ab initio based force-field model
저자
by
Failali, Abdelmounaim
;
Acher, Eléonor
;
Guillaumont, Dominique
;
Vallet, Valérie
;
Réal, Florent
.
소스
Journal of Molecular Liquids, 2022, 363, 119797
Open Access (Arxiv)
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17 . Report
Environment effects on X-ray absorption spectra with quantum embedded real-time Time-dependent density functional theory approaches
저자
by
De Santis, Matteo
;
Vallet, Valérie
;
Gomes, André Severo Pereira
.
소스
Front. Chem., 28 February 2022
Open Access (Arxiv)
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15 . Report
NaCl salts in finite aqueous environments at the fine particle marine aerosol scale
저자
by
Vallet, Valérie
;
Coles, Jonathan
;
Réal, Florent
;
Houriez, Céline
;
Masella, Michel
.
소스
ACS Earth Space Chem. 2022, XXXX, XXX
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17 . Report
Reactivity of Ru oxides with air radiolysis products investigated by theoretical calculations
저자
by
Miradji, Faoulat
;
Souvi, Sidi M. O.
;
Cantrel, Laurent
;
Louis, Florent
;
Vallet, Valérie
.
소스
Journal of Nuclear Materials, 558, 153395 (2021)
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17 . Academic Journal
Excited states of polonium(IV): electron correlation and spin–orbit coupling in the Po
4+
free ion and in the bare and solvated [PoCl
5
]
−
and [PoCl
6
]
2−
complexes.
저자
by
Zhutova, Nadiya
;
Réal, Florent
;
Renault, Eric
;
Vallet, Valérie
;
Maurice, Rémi
.
소스
Physical Chemistry Chemical Physics (PCCP); 9/28/2023, Vol. 25 Issue 36, p24603-24612, 10p
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17 . Academic Journal
The hydration of an oxy-polycyclic aromatic compound: the case of naphthaldehyde.
저자
by
Claus, Jordan A.
;
Bermúdez, Celina
;
Vallet, Valérie
;
Margulεave;s, Laurent
;
Goubet, Manuel
.
소스
Physical Chemistry Chemical Physics (PCCP); 9/21/2023, Vol. 25 Issue 35, p23667-23677, 11p
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17 . Report
Conformational Landscape of Oxygen-Containing Naphthalene Derivatives
저자
by
Goubet, Manuel
;
Martin-Drumel, Marie-Aline
;
Réal, Florent
;
Vallet, Valérie
;
Pirali, Olivier
.
소스
The Journal of Physical Chemistry A 124, 4484-4495 (2020)
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17 . Academic Journal
How Does Bending the Uranyl Unit Influence Its Spectroscopy and Luminescence?
저자
by
Oher, Hanna
;
Gomes, André Severo Pereira
;
Wilson, Richard E.
;
Schnaars, David D.
;
Vallet, Valérie
.
소스
Inorganic Chemistry; 6/19/2023, Vol. 62 Issue 24, p9273-9284, 12p
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17 . Report
Investigating solvent effects on the magnetic properties of molybdate ions (MoO$_{4}^{2-}$) with relativistic embedding
저자
by
Halbert, Loïc
;
Olejniczak, Małgorzata
;
Vallet, Valérie
;
Gomes, André Severo Pereira
.
소스
International Journal of Quantum Chemistry, e26207 (2020)
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