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Publications in Theoretical Chemistry

NMR Lineshapes and Scalar Relaxation of the 17o-Labelled Water-Endofullerene H2O@C60

ChemPhysChem
Theoretical ChemistryPhysicalOpticsAtomicMolecular Physics,
2018English

Like-Likes-Like: Cooperative Hydrogen Bonding Overcomes Coulomb Repulsion in Cationic Clusters With Net Charges Up to Q =+6e

ChemPhysChem
Theoretical ChemistryPhysicalOpticsAtomicMolecular Physics,
2018English

Directionality of Halogen Bonds: An Interacting Quantum Atoms (IQA) and Relative Energy Gradient (REG) Study

ChemPhysChem
Theoretical ChemistryPhysicalOpticsAtomicMolecular Physics,
2019English

AgI /TMG-Promoted Cascade Reaction of Propargyl Alcohols, Carbon Dioxide, and 2-Aminoethanols to 2-Oxazolidinones

ChemPhysChem
Theoretical ChemistryPhysicalOpticsAtomicMolecular Physics,
2017English

Cover Feature: Strong Microheterogeneity in Novel Deep Eutectic Solvents (ChemPhysChem 14/2019)

ChemPhysChem
Theoretical ChemistryPhysicalOpticsAtomicMolecular Physics,
2019English

Förster Energy Transfer Theory as Reflected in the Structures of Photosynthetic Light-Harvesting Systems

ChemPhysChem
Theoretical ChemistryPhysicalOpticsAtomicMolecular Physics,
2011English

Cover Picture: Ab Initio H2O in Realistic Hydrophilic Confinement (ChemPhysChem 18/2014)

ChemPhysChem
Theoretical ChemistryPhysicalOpticsAtomicMolecular Physics,
2014English

Balancing Donor‐acceptor and Dispersion Effects in Heavy Main Group Element Π Interactions: Effect of Aromatic Substituents on the Pnictogen···π Arene Interaction

ChemPhysChem
Theoretical ChemistryPhysicalOpticsAtomicMolecular Physics,
2019English

A Hybrid Polymer to Target Blood Group Dependence of Cholera Toxin

Organic and Biomolecular Chemistry
Organic ChemistryTheoretical ChemistryBiochemistryPhysical
2020English

Effect of Molecular Crowding and Ionic Strength on the Isothermal Hybridization of Oligonucleotides

Journal of Physical Chemistry B
SurfacesTheoretical ChemistryMaterials ChemistryFilmsMedicineCoatingsPhysical
2010English

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