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Publications by Tomekia M. Simeon
Nature of Noncovalent Interactions in Catenane Supramolecular Complexes: Calibrating the MM3 Force Field With Ab Initio, DFT, and SAPT Methods
Journal of Physical Chemistry A
Medicine
Theoretical Chemistry
Physical
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An Ab Initio Parametrized Interatomic Force Field for Silica
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An Ab Initio and DFT Study of (N2)2 Dimers
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Prediction of Thermodynamic and Structural Properties of Sulfamerazine and Sulfamethazine in Water Using DFT and Ab Initio Methods
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Combining Ab Initio and Density Functional Theories With Semiempirical Methods
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CuNO2 and Cu+NO2 Revisited: A Comparative Ab Initio and DFT Study
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Conformational Study of Acyclic Alcohols by NMR Spectroscopic Analysis, Molecular Force Field and Ab Initio Calculations
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Reciprocity Theorems and Pseudoelectric Fields for Ab Initio Force Calculations
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Bonding Nature of Si7 Bicapped Pentagon Cluster: Ab-Initio Study
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