Selective detection of Cu<sup>2+</sup> in aqueous medium using an acid hydrazide-based chemosensor: experimental and DFT/TDDFT studies. [PDF]
Gim J +9 more
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Computational Experiments Probing the Adaptability of the [NCCH<sub>2</sub>]<sup>-</sup> Electronic Structure to Various Bonding Environments. [PDF]
Rio J, Brière JF, Gérard H.
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Experimental, spectroscopic, thermodynamic, and DFT study of a novel cyanomethylchrome nopyridinecarbonitrile (CCPC). [PDF]
Badran AS, Ibrahim MA, Halim SA.
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Decomposition Dynamics of a New Noble-Gas Compound. [PDF]
Cohen A, Gerber RB.
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Unusual bonding situations in Th(iv) and U(iv)-Al(iii) pnictogen complexes. [PDF]
Mahawar P +5 more
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Molecular blueprints for cleaner air: theoretical insights into Cu(i)-decorated heterocycles for greenhouse gas (CO/CO<sub>2</sub>/CH<sub>4</sub>) capture. [PDF]
Bag A, Roymahapatra G.
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Unveiling the mechanism of the electroreduction of CO<sub>2</sub> to CO over ZIF-8, ZIF-67, and ZIF-90: a DFT perspective. [PDF]
Hussain I, Farooq U, Ayub K.
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Chemically Driven Nano-Elastic Heterogeneities Control Fragility in Volcanic Melts. [PDF]
Cassetta M +13 more
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Comprehensive structural insights and electrochemical evaluation of rhamnose and salicin for green corrosion protection of carbon steel in acidic medium. [PDF]
Al-Odail F +3 more
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