Claudio A. Morgado

Can the DFT-D method describe the full range of noncovalent interactions found in large biomolecules?

Claudio A. Morgado, Mark A. Vincent, Ian H. Hillier et al. · Physical Chemistry Chemical Physics · 2006 · 126 citations

Engineering, Molecular Biology, Computational Chemistry +17

Reference MP2/CBS and CCSD(T) quantum-chemical calculations on stacked adenine dimers. Comparison with DFT-D, MP2.5, SCS(MI)-MP2, M06-2X, CBS(SCS-D) and force field descriptions

Claudio A. Morgado, Petr Jurečka, Daniel Svozil et al. · Physical Chemistry Chemical Physics · 2010 · 87 citations

Engineering, Physics, Natural Sciences +14

Density Functional and Semiempirical Molecular Orbital Methods Including Dispersion Corrections for the Accurate Description of Noncovalent Interactions Involving Sulfur-Containing Molecules

Claudio A. Morgado, Jonathan P. McNamara, Ian H. Hillier et al. · Journal of Chemical Theory and Computation · 2007 · 78 citations

Engineering, Physics, Physicochemical Analysis +14

Balance of Attraction and Repulsion in Nucleic-Acid Base Stacking: CCSD(T)/Complete-Basis-Set-Limit Calculations on Uracil Dimer and a Comparison with the Force-Field Description

Claudio A. Morgado, Petr Jurečka, Daniel Svozil et al. · Journal of Chemical Theory and Computation · 2009 · 59 citations

Nucleic-acid Base Stacking, Engineering, Molecular Biology +16

The interaction of carbohydrates and amino acids with aromatic systems studied by density functional and semi-empirical molecular orbital calculations with dispersion corrections

R.P. Sharma, Jonathan P. McNamara, Rajesh K. Raju et al. · Physical Chemistry Chemical Physics · 2008 · 49 citations