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Publications in Theoretical Chemistry

Enantioselective Synthesis of Spiro[indoline-3,4′-Pyrano[2,3-C]pyrazole] Derivatives via an Organocatalytic Asymmetric Michael/Cyclization Cascade Reaction

Organic and Biomolecular Chemistry
Organic ChemistryTheoretical ChemistryBiochemistryPhysical
2016English

The Total Synthesis of Calcium Atorvastatin

Organic and Biomolecular Chemistry
Organic ChemistryTheoretical ChemistryBiochemistryPhysical
2016English

Callyspongisines A–D: Bromopyrrole Alkaloids From an Australian Marine Sponge, Callyspongia Sp.

Organic and Biomolecular Chemistry
Organic ChemistryTheoretical ChemistryBiochemistryPhysical
2014English

QM/MM Studies of Hairpin Ribozyme Self-Cleavage Suggest the Feasibility of Multiple Competing Reaction Mechanisms

Journal of Physical Chemistry B
SurfacesTheoretical ChemistryMaterials ChemistryFilmsMedicineCoatingsPhysical
2011English

Ion Binding Sites and Their Representations by Reduced Models

Journal of Physical Chemistry B
SurfacesTheoretical ChemistryMaterials ChemistryFilmsMedicineCoatingsPhysical
2012English

Novel Strategies for the Synthesis of Unsymmetrical Glycosyl Disulfides

Organic and Biomolecular Chemistry
Organic ChemistryTheoretical ChemistryBiochemistryPhysical
2016English

Regulation of Catch Binding by Allosteric Transitions

Journal of Physical Chemistry B
SurfacesTheoretical ChemistryMaterials ChemistryFilmsMedicineCoatingsPhysical
2010English

Electronic Structure and Hydration of Tetramine Cobalt Hydride Complexes

Journal of Physical Chemistry B
SurfacesTheoretical ChemistryMaterials ChemistryFilmsMedicineCoatingsPhysical
2014English

Correction: Self-Assembled 4-(1,2-Diphenylbut-1-En-1-Yl)aniline Based Nanoparticles: Podophyllotoxin and Aloin as Building Blocks

Organic and Biomolecular Chemistry
Organic ChemistryTheoretical ChemistryBiochemistryPhysical
2017English

Aqueous Solvation of Polyalanine Α-Helices With Specific Water Molecules and With the CPCM and SM5.2 Aqueous Continuum Models Using Density Functional Theory

Journal of Physical Chemistry B
SurfacesTheoretical ChemistryMaterials ChemistryFilmsMedicineCoatingsPhysical
2012English

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