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Polarizability of fullerene [2+2]-dimers: a DFT study
Physical chemistry chemical physics : PCCP, 2014-07, Vol.16 (28), p.14594-146
2014
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Counting the Isomers and Estimation of Anisotropy of Polarizability of the Selected C60 and C70 Bisadducts Promising for Organic Solar Cells
The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2015-10, Vol.119 (43), p.10697-10705
2015
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Comment on "Fullerene-based materials for solar cell applications: design of novel acceptors for efficient polymer solar cells--a DFT study" by A. Mohajeri and A. Omidvar, Phys. Chem. Chem. Phys., 2015, 17, 22367
Physical chemistry chemical physics : PCCP, 2016-02, Vol.18 (5), p.4216-4218
2016
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Activation energies and information entropies of helium penetration through fullerene walls. Insights into the formation of endofullerenes nX@C 60/70 (n = 1 and 2) from the information entropy approach
RSC advances, 2016, Vol.6 (76), p.72230-72237
2016
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Bisadducts of the C 60 and C 70 fullerenes with anthracene: Isomerism and DFT estimation of stability and polarizability
Computational and theoretical chemistry, 2016-04, Vol.1081, p.44-48
2016
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Bisadducts of the C60 and C70 fullerenes with anthracene: Isomerism and DFT estimation of stability and polarizability
Computational and theoretical chemistry, 2016-04, Vol.1081, p.44-48
2016
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Comment on "Fullerene-based materials for solar cell applications: design of novel acceptors for efficient polymer solar cells - a DFT study" by A. Mohajeri and A. Omidvar, Phys. Chem. Chem. Phys., 2015, 17, 22367Electronic supplementary information (ESI) available: Numerical data associated with Fig. 1, the plot and structural formulas of 27 studied fullerene adducts. See DOI: 10.1039/c5cp05408g
2016-01
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Inverted thermochemistry of “norbornadiene–quadricyclane” molecular system inside fullerene nanocages
Computational and theoretical chemistry, 2014-10, Vol.1045, p.86-92
2014
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Activation energies and information entropies of helium penetration through fullerene walls. Insights into the formation of endofullerenes nX@C60/70 (n = 1 and 2) from the information entropy approachElectronic supplementary information (ESI) available: Results of the B3LYP/Λ1 calculations; Cartesian coordinates of endofullerenes and transition states of their formation. See DOI: 10.1039/c6ra12228k
2016-07
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