Publications
Path-Integral Monte Carlo Simulation Of $Ν$ 3 Vibrational Shifts For Co 2 In (He) N Clusters Critically Tests The He–Co 2 Potential Energy Surface. The Journal of chemical physics 2009, 130, 144305.
. Conformational Studies Of Methyl $\Beta$-D-Arabinofuranoside Using The Amber/Glycam Approach. Journal of chemical theory and computation 2009, 5, 430–438.
. Conformational Analysis Of Arabinofuranosides: Prediction Of 3 Jh, H Using Md Simulations With Dft-Derived Spin- Spin Coupling Profiles. Journal of chemical theory and computation 2009, 6, 212–222.
. On The Solid-And Liquidlike Nature Of Quantum Clusters In Their Ground State. The Journal of chemical physics 2008, 128, 224509.
. . Path Integral Monte Carlo Study Of Co 2 Solvation In He 4 Clusters. The Journal of chemical physics 2008, 128, 224513.
. Elucidating The Intermolecular Interactions Within A Desolvated Protein- Ligand Complex. An Experimental And Computational Study. Journal of the American Chemical Society 2008, 130, 1214–1226.
. Approach For The Simulation And Modeling Of Flexible Rings: Application To The Α-D-Arabinofuranoside Ring, A Key Constituent Of Polysaccharides From Mycobacterium Tuberculosis. Journal of chemical theory and computation 2008, 4, 184.
. . Path Integral Monte Carlo Study Of Co 2 Solvation In He 4 Clusters. The Journal of chemical physics 2008, 128, 224513.
. Approach For The Simulation And Modeling Of Flexible Rings: Application To The Α-D-Arabinofuranoside Ring, A Key Constituent Of Polysaccharides From Mycobacterium Tuberculosis. Journal of chemical theory and computation 2008, 4, 184–191.
. On The Solid-And Liquidlike Nature Of Quantum Clusters In Their Ground State. The Journal of chemical physics 2008, 128, 224509.
. Elucidating The Intermolecular Interactions Within A Desolvated Protein- Ligand Complex. An Experimental And Computational Study. Journal of the American Chemical Society 2008, 130, 1214–1226.
. On The Solid-And Liquidlike Nature Of Quantum Clusters In Their Ground State. The Journal of chemical physics 2008, 128, 224509.
. Path Integral Monte Carlo Study Of Co 2 Solvation In He 4 Clusters. The Journal of chemical physics 2008, 128, 224513.
. Elucidating The Intermolecular Interactions Within A Desolvated Protein- Ligand Complex. An Experimental And Computational Study. Journal of the American Chemical Society 2008, 130, 1214–1226.
. Approach For The Simulation And Modeling Of Flexible Rings: Application To The $\Alpha$-D-Arabinofuranoside Ring, A Key Constituent Of Polysaccharides From Mycobacterium Tuberculosis. Journal of chemical theory and computation 2008, 4, 184.
. Semiclassical Initial Value Representation Treatment Of A Hydrogen Bonded Complex Of Rigid Water Molecules From A Single Trajectory In Cartesian Coordinates. The Journal of chemical physics 2007, 127, 144306.
. Quantum Molecular Dynamics Of Hydrogen Bonded Complexes Of Rigid Molecules Using The Semiclassical Initial Value Representation In Cartesian Coordinates. The Journal of chemical physics 2007, 127, 054105.
. Geometric Constraints In Semiclassical Initial Value Representation Calculations In Cartesian Coordinates: Excited States. The Journal of chemical physics 2007, 126, 024111.
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