C/N/O centred metal clusters: super valence bonding and magic structure with 26 valence electrons (Unknown)
- New search for: Tang, Jianling
- New search for: Zhang, Cairong
- New search for: Chen, Hongshan
- New search for: Tang, Jianling
- New search for: Zhang, Cairong
- New search for: Chen, Hongshan
In:
Molecular Physics
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118
, 5
;
2020
- Article (Journal) / Electronic Resource
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Title:C/N/O centred metal clusters: super valence bonding and magic structure with 26 valence electrons
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Contributors:
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Published in:Molecular Physics ; 118, 5
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Publisher:
- New search for: Taylor & Francis
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Publication date:2020-03-03
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ISSN:
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DOI:
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Type of media:Article (Journal)
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Type of material:Electronic Resource
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Language:Unknown
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Keywords:
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Source:
Table of contents – Volume 118, Issue 5
The tables of contents are generated automatically and are based on the data records of the individual contributions available in the index of the TIB portal. The display of the Tables of Contents may therefore be incomplete.
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Mechanistic studies and rate coefficients calculations of hydrogen abstraction from ethanol by methyl peroxy radical and hydroperoxyl radicalShi, Gai / Song, Jinou / Cao, Fei / Lv, Gang / Li, Zhijun et al. | 2020
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DFT study of graphene oxide reduction by a dopamine speciesDomancich, Nicolás / Rossi Fernández, Ana / Meier, Lorena / Fuente, Silvia / Castellani, Norberto et al. | 2020
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Structural properties and isomerisation of simple S-nitrosothiols: ab initio studies with a simplified treatment of correlation effectsManna, Shovan / Sinha Ray, Suvonil / Ghosh, Pradipta / Chattopadhyay, Sudip et al. | 2020
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Vibration–rotation interactions in H2, HD and D2 : centrifugal distortion factors and the derivatives of polarisability invariantsRaj, Ankit / Witek, Henryk A. / Hamaguchi, Hiro-o et al. | 2020
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Tuning the aqueous solubility, chemical reactivity and absorption wavelength of azo dye through systematic adjustment of molecular charge density: a DFT studyWahab, Olaide O. / Olasunkanmi, Lukman O. / Govender, Krishna K. / Govender, Penny P. et al. | 2020
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On derivatives of the energy with respect to total electron number and orbital occupation numbers. A critique of Janak's theoremBaerends, E. J. et al. | 2020
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B-, N-doped and BN codoped C60 heterofullerenes for environmental monitoring of NO and NO2: a DFT studyEsrafili, Mehdi D. / Janebi, Hossein et al. | 2020
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Machine learning for collective variable discovery and enhanced sampling in biomolecular simulationSidky, Hythem / Chen, Wei / Ferguson, Andrew L. et al. | 2020
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Comparison of the stability of thymine tautomers and the interaction of its tautomers with Na+, K+, Mg2+ and Ca2+ in gas and solvent phasesMohammadi, Marzyeh / Ramazani, Shapour et al. | 2020
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Enhanced photovoltaic performances of C219-based dye sensitisers by introducing electron-withdrawing substituents: a density functional theory studyZhao, Caibin / Zhang, Qiang / Yu, Xiaohu / Zhou, Ke / Jin, Lingxia / Wang, Wenliang et al. | 2020
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C/N/O centred metal clusters: super valence bonding and magic structure with 26 valence electronsTang, Jianling / Zhang, Cairong / Chen, Hongshan et al. | 2020
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Evaluation of the translational and rotational diffusion coefficients of a cubic particle (for the application to Brownian dynamics simulations)Okada, Kazuya / Satoh, Akira et al. | 2020