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Publications in Theoretical Chemistry

Bis(trichloromethyl)carbonate (BTC, Triphosgene): A Safer Alternative to Phosgene?

Organic Process Research and Development

Organic Chemistry

Theoretical Chemistry

Physical

2017

English

Effect of Microhydration on the Electronic Structure of the Chromophores of the Photoactive Yellow and Green Fluorescent Proteins

Journal of Chemical Physics

Medicine

Theoretical Chemistry

English

Energetics of Elementary Reaction Steps Relevant for CO Oxidation: CO and O2 Adsorption on Model Pd Nanoparticles and Pd(111)

Faraday Discussions

Theoretical Chemistry

Physical

2013

English

Second-Order Resummed Thermodynamic Perturbation Theory for Central-Force Associating Potential: Multi-Patch Colloidal Models

Journal of Chemical Physics

Medicine

Theoretical Chemistry

English

Proton-Detected 3D 1h/13c/1h Correlation Experiment for Structural Analysis in Rigid Solids Under Ultrafast-Mas Above 60 kHz

Journal of Chemical Physics

Medicine

Theoretical Chemistry

English

Electronic Transitions of Platinum Monoboride

Journal of Chemical Physics

Medicine

Theoretical Chemistry

English

Semiclassical Instanton Approach to Calculation of Reaction Rate Constants in Multidimensional Chemical Systems

Journal of Chemical Physics

Medicine

Theoretical Chemistry

English

Bond Breaking in a Morse Chain Under Tension: Fragmentation Patterns, Higher Index Saddles, and Bond Healing

Journal of Chemical Physics

Medicine

Theoretical Chemistry

English

Use of Density Functional Theory Method to Calculate Structures of Neutral Carbon Clusters Cn (3 ≤ N ≤ 24) and Study Their Variability of Structural Forms

Journal of Chemical Physics

Medicine

Theoretical Chemistry

English

Erratum: “Going Beyond ‘No-Pair Relativistic Quantum Chemistry’” [J. Chem. Phys. 139, 014108 (2013)]

Journal of Chemical Physics

Medicine

Theoretical Chemistry

English

Amanote Research

Discover open access scientific publications

Search, annotate, share and cite publications

Publications in Theoretical Chemistry

Bis(trichloromethyl)carbonate (BTC, Triphosgene): A Safer Alternative to Phosgene?

Effect of Microhydration on the Electronic Structure of the Chromophores of the Photoactive Yellow and Green Fluorescent Proteins

Energetics of Elementary Reaction Steps Relevant for CO Oxidation: CO and O2 Adsorption on Model Pd Nanoparticles and Pd(111)

Second-Order Resummed Thermodynamic Perturbation Theory for Central-Force Associating Potential: Multi-Patch Colloidal Models

Proton-Detected 3D 1h/13c/1h Correlation Experiment for Structural Analysis in Rigid Solids Under Ultrafast-Mas Above 60 kHz

Electronic Transitions of Platinum Monoboride

Semiclassical Instanton Approach to Calculation of Reaction Rate Constants in Multidimensional Chemical Systems

Bond Breaking in a Morse Chain Under Tension: Fragmentation Patterns, Higher Index Saddles, and Bond Healing

Use of Density Functional Theory Method to Calculate Structures of Neutral Carbon Clusters Cn (3 ≤ N ≤ 24) and Study Their Variability of Structural Forms

Erratum: “Going Beyond ‘No-Pair Relativistic Quantum Chemistry’” [J. Chem. Phys. 139, 014108 (2013)]