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Publications in Theoretical Chemistry

From High-Energy C7H2 Isomers With a Planar Tetracoordinate Carbon Atom to an Experimentally Known Carbene

Journal of Physical Chemistry A

Medicine

Theoretical Chemistry

Physical

2018

English

Comments Concerning “Measurement of the Solubility of the Salt of 2-Mercaptobenzothiazole With Cyclohexylamine and Tert-Butylamine in Various Solvents at Low Temperatures: Models and Thermodynamic Parameters”

Fluid Phase Equilibria

Theoretical Chemistry

English

Low-Temperature NMR Characterization of Reaction of Sodium Pyruvate With Hydrogen Peroxide

Journal of Physical Chemistry A

Medicine

Theoretical Chemistry

Physical

2015

English

Modeling Imidazolium-Based Ionic Liquids With ePC-SAFT. Part II. Application to H2S and Synthesis-Gas Components

Fluid Phase Equilibria

Theoretical Chemistry

English

Spin–Orbit and Vibronic Coupling in the Ionic Ground State of Iodoacetylene From a Rotationally Resolved Photoelectron Spectrum

Journal of Physical Chemistry A

Medicine

Theoretical Chemistry

Physical

2012

English

Electron Paramagnetic Resonance Spectroscopic Study of Copper Hopping in Doped Bis(l-Histidinato)cadmium Dihydrate

Journal of Physical Chemistry A

Medicine

Theoretical Chemistry

Physical

2013

English

Tuning the Temperature Dependence for Switching in Dithienylethene Photochromic Switches

Journal of Physical Chemistry A

Medicine

Theoretical Chemistry

Physical

2013

English

Correction to “Evaluating Transition Metal Barrier Heights With the Latest Density Functional Theory Exchange–Correlation Functionals: The MOBH35 Benchmark Database”

Journal of Physical Chemistry A

Medicine

Theoretical Chemistry

Physical

2019

English

Methylglyoxal Uptake Coefficients on Aqueous Aerosol Surfaces

Journal of Physical Chemistry A

Medicine

Theoretical Chemistry

Physical

2018

English

The Calculation of the Diamagnetic Susceptibility Tensors of Organic Crystals: From Coronene to Pharmaceutical Polymorphs

Journal of Physical Chemistry A

Medicine

Theoretical Chemistry

Physical

2020

English

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Discover open access scientific publications

Search, annotate, share and cite publications

Publications in Theoretical Chemistry

From High-Energy C7H2 Isomers With a Planar Tetracoordinate Carbon Atom to an Experimentally Known Carbene

Comments Concerning “Measurement of the Solubility of the Salt of 2-Mercaptobenzothiazole With Cyclohexylamine and Tert-Butylamine in Various Solvents at Low Temperatures: Models and Thermodynamic Parameters”

Low-Temperature NMR Characterization of Reaction of Sodium Pyruvate With Hydrogen Peroxide

Modeling Imidazolium-Based Ionic Liquids With ePC-SAFT. Part II. Application to H2S and Synthesis-Gas Components

Spin–Orbit and Vibronic Coupling in the Ionic Ground State of Iodoacetylene From a Rotationally Resolved Photoelectron Spectrum

Electron Paramagnetic Resonance Spectroscopic Study of Copper Hopping in Doped Bis(l-Histidinato)cadmium Dihydrate

Tuning the Temperature Dependence for Switching in Dithienylethene Photochromic Switches

Correction to “Evaluating Transition Metal Barrier Heights With the Latest Density Functional Theory Exchange–Correlation Functionals: The MOBH35 Benchmark Database”

Methylglyoxal Uptake Coefficients on Aqueous Aerosol Surfaces

The Calculation of the Diamagnetic Susceptibility Tensors of Organic Crystals: From Coronene to Pharmaceutical Polymorphs