| 1 |
A theoretical study on H-bonding interactions in maleic acid: calculated 17O, 1H NMR parameters and QTAIM analysis
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MOLECULAR SIMULATION
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| 2 |
A comparative study on carbon, boron-nitride, boron-phosphide and silicon-carbide nanotubes based on surface electrostatic potentials and average local ionization energies
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JOURNAL OF MOLECULAR MODELING
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| 3 |
A quantum chemistry study on surface reactivity of pristine and carbon-substituted Al Nnanotubes
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PHYSICA E-LOW-DIMENSIONAL SYSTEMS & NANOSTRUCTURES
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| 4 |
Investigation into the nature of interactions in aspirin–water clusters including SAPT, AIM and NBO theories
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MOLECULAR SIMULATION
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| 5 |
A density functional study of silicon fuller eneendohedral X@Si20F20 and exohedralX-Si20F20 (X¼O2 , S2 , Se2 ) complexes
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PHYSICA E-LOW-DIMENSIONAL SYSTEMS & NANOSTRUCTURES
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| 6 |
A DFT study of pyrazine derivatives and their Fe complexes in corrosion inhibition process
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Journal of Molecular Structure
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| 7 |
Intriguing properties of unusual silicon nanocrystals
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RSC Advances
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