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Publications in Theoretical Chemistry

Cover Feature: Reassessment of the Mechanisms of Thermal C−H Bond Activation of Methane by Cationic Magnesium Oxides: A Critical Evaluation of the Suitability of Different Density Functionals (ChemPhysChem 14/2019)

ChemPhysChem

Theoretical Chemistry

English

Size-Dependent Phase Separation in Emulsion Droplets

ChemPhysChem

Theoretical Chemistry

English

Factors Influencing CO2 and Energy Penalties of CO2 Mineralization Processes

ChemPhysChem

Theoretical Chemistry

English

A Thermodynamic Model of Auto‐regulated Protein Assembly by a Supramolecular Scaffold

ChemPhysChem

Theoretical Chemistry

English

Probing the Menasemiquinone Binding Mode to Nitrate Reductase a by Selective 2H & 15N Labelling, HYSCORE Spectroscopy and DFT Modeling

ChemPhysChem

Theoretical Chemistry

English

Light‐Modulated Self‐Blockage of a Urea Binding Site in a Stiff‐Stilbene Based Anion Receptor

ChemPhysChem

Theoretical Chemistry

English

Long-Lived Excited-State Dynamics of I-Motif Structures Probed by Time-Resolved Infrared Spectroscopy

ChemPhysChem

Theoretical Chemistry

English

Front Cover: Quantum Chemical Analyses of BH4 − and BH3 OH− Hydride Transfers to CO2 in Aqueous Solution With Potentials of Mean Force (ChemPhysChem 22/2017)

ChemPhysChem

Theoretical Chemistry

English

Suppression of Phonon Transport in Molecular Christmas Trees

ChemPhysChem

Theoretical Chemistry

English

Hexacoordinated Tetrel-Bonded Complexes Between TF₄ (T = Si, Ge, Sn, Pb) and NCH. Competition Between Σ and Π-Holes

ChemPhysChem

Theoretical Chemistry

English

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Discover open access scientific publications

Search, annotate, share and cite publications

Publications in Theoretical Chemistry

Cover Feature: Reassessment of the Mechanisms of Thermal C−H Bond Activation of Methane by Cationic Magnesium Oxides: A Critical Evaluation of the Suitability of Different Density Functionals (ChemPhysChem 14/2019)

Size-Dependent Phase Separation in Emulsion Droplets

Factors Influencing CO2 and Energy Penalties of CO2 Mineralization Processes

A Thermodynamic Model of Auto‐regulated Protein Assembly by a Supramolecular Scaffold

Probing the Menasemiquinone Binding Mode to Nitrate Reductase a by Selective 2H & 15N Labelling, HYSCORE Spectroscopy and DFT Modeling

Light‐Modulated Self‐Blockage of a Urea Binding Site in a Stiff‐Stilbene Based Anion Receptor

Long-Lived Excited-State Dynamics of I-Motif Structures Probed by Time-Resolved Infrared Spectroscopy

Front Cover: Quantum Chemical Analyses of BH4 − and BH3 OH− Hydride Transfers to CO2 in Aqueous Solution With Potentials of Mean Force (ChemPhysChem 22/2017)

Suppression of Phonon Transport in Molecular Christmas Trees

Hexacoordinated Tetrel-Bonded Complexes Between TF₄ (T = Si, Ge, Sn, Pb) and NCH. Competition Between Σ and Π-Holes