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Density Functional Studies on the Catalytic Activity of Core-Functionalized DendrimersMu, T.; Feng, D.; Feng, S. · Journal of Physical Chemistry C · 2008
Density functional theory study on the –SO3H functionalized acidic ionic liquidsXue-Min Liu; Zhi-Xiang Song; Hai-Jun Wang · 2009
Density Functional Studies on the Pauson−Khand ReactionYamanaka, Masahiro; Nakamura, Eiichi · Journal of the American Chemical Society · 2001
Density functional computations of 99Ru chemical shifts: relativistic effects, influence of the density functional, and study of solvent effects on fac—[Ru(CO)3I3]−Jochen Autschbach; Shaohui Zheng · 2006
A density functional theory study on the AgnH (nXiangjun Kuang; Xinqiang Wang; Gaobin Liu · 2011
Density functional theory study on the [5,6]-diaryl-methano fulleroids of C70 with different functional groupsRostami, Zahra; Noei, Maziar · Vacuum · 2016
Toward Panchromatic Organic Functional Molecules: Density Functional Theory Study on the Electronic Absorption Spectra of Substituted TetraanthracenylporphyrinsQi, Dongdong; Jiang, Jianzhuang · The Journal of Physical Chemistry A · 2011
Thermodynamics of plastic crystal mesomorphismShablovskii, Ya. O. · Russian Journal of Physical Chemistry A · 2013
Metal nanopowder demulsifiersFedushchak, T. A.; Akimov, A. S.; Kuvshinov, V. A. · Russian Journal of Physical Chemistry A · 2014
Structural transitions in liquid cesiumBelashchenko, D. K. · Russian Journal of Physical Chemistry A · 2014
Thermochemistry of myricetin flavonoidA. Z. Abil’daeva,Sh. B. Kasenova,B. K. Kasenov… · Russian Journal of Physical Chemistry A · 2014
Water dimer dipole momentN. P. Malomuzh,V. N. Makhlaichuk… · Russian Journal of Physical Chemistry A · 2014
Thermodynamic properties of cerium mononitrideN. M. Aristova,G. V. Belov · Russian Journal of Physical Chemistry A · 2014
Theoretical molecular photonicsPlotnikov, V. G. · Russian Journal of Physical Chemistry A · 2014
Monoethanolamine: Cluster Structure MotivesNovakovskaya, Yu. V.; Rodnikova, M. N. · Russian Journal of Physical Chemistry A · 2016