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Publications in Theoretical Chemistry

Enhanced Sensitivity by Nonuniform Sampling Enables Multidimensional MAS NMR Spectroscopy of Protein Assemblies

Journal of Physical Chemistry B
SurfacesTheoretical ChemistryMaterials ChemistryFilmsMedicineCoatingsPhysical
2012English

A New Generation of Chiral Phase-Transfer Catalysts

Organic and Biomolecular Chemistry
Organic ChemistryTheoretical ChemistryBiochemistryPhysical
2016English

Deoxyfluoro-D-Trehalose (FDTre) Analogues as Potential PET Probes for Imaging Mycobacterial Infection

Organic and Biomolecular Chemistry
Organic ChemistryTheoretical ChemistryBiochemistryPhysical
2016English

Iodine(III)-Mediated Intramolecular Sulfeno- And Selenofunctionalization of Β, Γ-Unsaturated Tosyl Hydrazones and Oximes

Organic and Biomolecular Chemistry
Organic ChemistryTheoretical ChemistryBiochemistryPhysical
2018English

Influence of Non-Covalent Preorganization on Supramolecular Effective Molarities

Organic and Biomolecular Chemistry
Organic ChemistryTheoretical ChemistryBiochemistryPhysical
2015English

Correction: Bioactive Spiropyrrolizidine Oxindole Alkaloid Enantiomers From Isatis Indigotica Fortune

Organic and Biomolecular Chemistry
Organic ChemistryTheoretical ChemistryBiochemistryPhysical
2019English

SN2 Regioselectivity in the Esterification of 5- And 7-Membered Azacycloalkane Quaternary Salts: A DFT Study to Reveal the Transition State Ring Conformation Prevailing Over the Ground State Ring Strain

Organic and Biomolecular Chemistry
Organic ChemistryTheoretical ChemistryBiochemistryPhysical
2014English

Synthesis of Substituted Benzooxaborinin-1-Ols via Palladium-Catalysed Cyclisation of Alkenyl- And Alkynyl-Boronic Acids

Organic and Biomolecular Chemistry
Organic ChemistryTheoretical ChemistryBiochemistryPhysical
2016English

Recommending Hartree–Fock Theory With London-Dispersion and Basis-Set-Superposition Corrections for the Optimization or Quantum Refinement of Protein Structures

Journal of Physical Chemistry B
SurfacesTheoretical ChemistryMaterials ChemistryFilmsMedicineCoatingsPhysical
2014English

A One Pot Three-Step Process for the Synthesis of an Array of Arylated Benzimidazoribosyl Nucleosides

Organic and Biomolecular Chemistry
Organic ChemistryTheoretical ChemistryBiochemistryPhysical
2011English

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