Concepedia

A computational investigation of the interactions between harmane and the functional monomers commonly used in molecular imprinting

Agnieszka Kowalska-Baron, Agnieszka Stobiecka, S. Wysocki

Journal of Molecular Structure THEOCHEM · 2009 · 44 citations · 38 references

DOI

Concepts

References

38

How does basis set superposition error change the potential surfaces for hydrogen-bonded dimers?

Sı́lvia Simon, Miquel Duran, J. J. Dannenberg · The Journal of Chemical Physics · 1996 · 2.2K citations · Full text

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Rational Design of a Polymer Specific for Microcystin-LR Using a Computational Approach

Iva Chianella, Manuela Lotierzo, Sergey A. Piletsky et al. · Analytical Chemistry · 2002 · 288 citations

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Recognition of ephedrine enantiomers by molecularly imprinted polymers designed using a computational approach

Sergey A. Piletsky, Khalku Karim, Elena Piletska et al. · The Analyst · 2001 · 282 citations

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Hydrogen bonding and polyurethane morphology. I. Quantum mechanical calculations of hydrogen bond energies and vibrational spectroscopy of model compounds

Emel Yılgör, İskender Yılgör, E. Yurtsever · Polymer · 2002 · 277 citations

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‘Bite-and-Switch’ approach using computationally designed molecularly imprinted polymers for sensing of creatinine

Sreenath Subrahmanyam, Sergey A. Piletsky, Elena Piletska et al. · Biosensors and Bioelectronics · 2001 · 178 citations

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