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Publications in Theoretical Chemistry

A New Insight Into Thermodynamical Criterion for Preparation of Semiconductor and Metal Nanocrystals Using Polymerized Complexing Method

Physical Chemistry Chemical Physics
Theoretical ChemistryAstronomyPhysicsPhysical
2017English

Retraction: Two-Dimensional Nanosheets Associated With One-Dimensional Single-Crystalline Nanorods Self-Assembled Into Three-Dimensional Flower-Like Mn3O4 Hierarchical Architectures

Physical Chemistry Chemical Physics
Theoretical ChemistryAstronomyPhysicsPhysical
2017English

The Catalytic Mechanism of Glyceraldehyde 3-Phosphate Dehydrogenase From Trypanosoma Cruzi Elucidated via the QM/MM Approach

Physical Chemistry Chemical Physics
Theoretical ChemistryAstronomyPhysicsPhysical
2013English

Modeling Solubility of CO2 Gas in Room Temperature Ionic Liquids Using the COSMOSAC-LANL Model: A First Principles Study

Physical Chemistry Chemical Physics
Theoretical ChemistryAstronomyPhysicsPhysical
2019English

Hydrogen Bond Competition in the Ethanol–methanol Dimer

Physical Chemistry Chemical Physics
Theoretical ChemistryAstronomyPhysicsPhysical
2016English

Lanthanide-Induced Relaxation Anisotropy

Physical Chemistry Chemical Physics
Theoretical ChemistryAstronomyPhysicsPhysical
2018English

Powder Crystallography of Pharmaceutical Materials by Combined Crystal Structure Prediction and Solid-State 1H NMR Spectroscopy

Physical Chemistry Chemical Physics
Theoretical ChemistryAstronomyPhysicsPhysical
2013English

Adsorption and Growth of Palladium Clusters on Graphdiyne

Physical Chemistry Chemical Physics
Theoretical ChemistryAstronomyPhysicsPhysical
2017English

Electronic Structure Calculations and Physicochemical Experiments Quantify the Competitive Liquid Ion Association and Probe Stabilisation Effects for Nitrobenzospiropyran in Phosphonium-Based Ionic Liquids

Physical Chemistry Chemical Physics
Theoretical ChemistryAstronomyPhysicsPhysical
2011English

On the Role of Charge Transfer in Halogen Bonding

Physical Chemistry Chemical Physics
Theoretical ChemistryAstronomyPhysicsPhysical
2017English

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