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Geminal dianions as precursors for the synthesis of carbene complexes of tran...
Recently, a new method for the synthesis of carbene complexes of transition metal has been developed. The strategy consists in bringing the four electrons of the... -
A Raman Spectroscopy and Theoretical Study of Zinc-Cysteine complexation
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NMR study of the LiMnPO(4)*OH and MPO(4)*H(2)O (M = Mn, V) homeotypic phases ...
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Versatile effects of aurone structure on mushroom tyrosinase activity
Elucidation of the binding modes of Ty inhibitors is an important step for in-depth studies on how to regulate tyrosinase activity. In this paper we highlight the... -
Air oxygenation chemistry of 4-TBC catalyzed by chloro bridged dinuclear copp...
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First principles Second-Harmonic Generation in quantum confined silicon-based...
In this thesis I have dealt with the ab initio description of the second-harmonic generation (SHG) process, a nonlinear optical property of materials, focusing in... -
Synthesis, electrochemical reactivity and electronic structure of 1-R-métalla...
Metallatranes (M = Si, Ge, Sn) have been studied intensively during 50 years and have many applications in various domains namely physics, biology, medicine and so on.... -
Ab initio investigations of the electronic structures and chemical bonding in...
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A new combined approach to investigate stacking faults in lamellar compounds
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Improving sensitivity and resolution of MQMAS spectra: a 45Sc-NMR case study ...
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Electric field gradient calculations in paramagnetic compounds using the PAW ...
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Experimental and theoretical insights into the sequential oxidations of 3π-2s...
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Molecular transition-metal boron compounds. Any interest?
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Synthesis of 1-phosphabarrelenes phosphino sulfide substituted palladium(II) ...
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Phases II and IV of 1,3,5-trichloro-2,4,6-trimethylbenzene: Ab initio crystal...
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Unusual reactivities of acridine derivatives in catalytic hydrogenation. A co...
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Solid-state NMR/NQR and first-principles study of two niobium halide cluster ...
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NbF5 and TaF5: Assignment of F-19 NMR resonances and chemical bond analysis f...
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Conformational isomerism and phase transitions in tetraethylammonium bis(trif...
This dataset has no description
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Enthalpies of formation and electronic densities of states of vanadium bodies
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