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Computational investigation of double nitrogen doping on graphene
British Library Online Contents | 2018| -
CO oxidation on inverse Ce6O12/Cu(111) catalyst: role of copper–ceria interactions
British Library Online Contents | 2018| -
Geometry optimization of zirconium sulfophenylphosphonate layers by molecular simulation methods
British Library Online Contents | 2018| -
Solvent effect on the degree of (a)synchronicity in polar Diels-Alder reactions from the perspective of the reaction force constant analysis
British Library Online Contents | 2018| -
Mechanism and regioselectivity of electrophilic aromatic nitration in solution: the validity of the transition state approach
British Library Online Contents | 2018| -
Stability and donor-acceptor bond in dinuclear organometallics CpM1–M2Cl3 (M1, M2 = B, Al, Ga, In; Cp = η 5–C5H5)
British Library Online Contents | 2018| -
Growth morphology of CL-20/HMX cocrystal explosive: insights from solvent behavior under different temperatures
British Library Online Contents | 2017| -
A DFT study of a set of natural dyes for organic electronics
British Library Online Contents | 2017| -
Adsorption of CO and NO molecules onto pentagonal clusters of aluminum: a DFT study
British Library Online Contents | 2017| -
Substituent effects on the electronic structures and nonlinear optical properties of Li-doped nano-carbon bowl
British Library Online Contents | 2017| -
Discovering protein−ligand chalcogen bonding in the protein data bank using endocyclic sulfur-containing heterocycles as ligand search subsets
British Library Online Contents | 2017| -
A DFT study of hydrogen and methane activation by B(C6F5)3/P(t-Bu)3 and Al(C6F5)3/P(t-Bu)3 frustrated Lewis pairs
British Library Online Contents | 2017|
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