Found: 12
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Adsorption of sarin and chlorosarin onto the Al<sub>12</sub>N<sub>12</sub> and Al<sub>12</sub>P<sub>12</sub> nanoclusters: DFT and TDDFT calculations.
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- Surface & Interface Analysis: SIA, 2020, v. 52, n. 11, p. 725, doi. 10.1002/sia.6861
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- Article
Zn12O12 Fullerene-like Cage as a Potential Sensor for SO2 Detection.
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- Adsorption Science & Technology, 2013, v. 31, n. 5, p. 469, doi. 10.1260/0263-6174.31.5.469
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- Article
Ionic liquid as an effective green media for the synthesis of (5Z, 8Z)-7H-pyrido[2,3-d]azepine derivatives and recycable Fe3O4/TiO2/multi-wall cabon nanotubes magnetic nanocomposites as high performance organometallic nanocatalyst.
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- Molecular Diversity, 2022, v. 26, n. 3, p. 1441, doi. 10.1007/s11030-021-10269-5
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- Article
Ab Initio and DFT Studies of Conformational Properties of Heteroatom Containing Ketene Analogues and Their Comparison with the Related Cyclic Analogues.
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- E-Journal of Chemistry, 2012, v. 9, n. 1, p. 193, doi. 10.1155/2012/380109
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- Article
Adsorption Properties of O<sub>2</sub> on Cr<sub>5</sub> Nanostructures: A DFT Study.
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- E-Journal of Chemistry, 2011, v. 8, n. 3, p. 982, doi. 10.1155/2011/984515
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- Article
Adsorption Properties of Oxygen on H-Capped (5, 5) Boron Nitride Nanotube (BNNT)- A Density Functional Theory.
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- E-Journal of Chemistry, 2011, v. 8, n. 2, p. 609, doi. 10.1155/2011/912894
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- Article
Characterization of C<sub>20</sub> fullerene and its isolated C<sub>20‐</sub><sub>n</sub>Ge<sub>n</sub> derivatives (n = 1‐5) by alternating germanium atom(s) in equatorial position: A DFT survey.
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- Heteroatom Chemistry, 2018, v. 29, n. 1, p. 1, doi. 10.1002/hc.21410
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- Article
First-Principles Study of NO<sub>2</sub> Adsorption on C<sub>20</sub> Fullerene.
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- Heteroatom Chemistry, 2013, v. 24, n. 6, p. 516, doi. 10.1002/hc.21128
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- Article
Si-Doped B<sub>12</sub>N<sub>12</sub> Nanocage as an Adsorbent for Dissociation of N<sub>2</sub>O to N<sub>2</sub> Molecule.
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- Heteroatom Chemistry, 2013, v. 24, n. 6, p. 476, doi. 10.1002/hc.21114
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- Article
Improvement of Antioxidative Activity of Apigenin by B<sub>12</sub>N<sub>12</sub> Nanocluster: Antioxidative Mechanism Analysis.
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- ChemistrySelect, 2020, v. 5, n. 6, p. 1829, doi. 10.1002/slct.201904170
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- Article
A DFT Study on Structure and Electronic Properties of BN Nanostructures Adsorbed with Dopamine.
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- Computation, 2019, v. 7, n. 4, p. 61, doi. 10.3390/computation7040061
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- Article
Al<sub>12</sub>N<sub>12</sub> nanocage as a potential sensor for phosgene detection.
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- Canadian Journal of Chemistry, 2014, v. 92, n. 7, p. 605, doi. 10.1139/cjc-2014-0056
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- Article