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Publications in Catalysis
Variations of the Tautomeric Preferences and Π-Electron Delocalization for the Neutral and Redox Forms of Purine When Proceeding From the Gas Phase (DFT) to Water (PCM)
Journal of Molecular Modeling
Organic Chemistry
Theoretical Chemistry
Inorganic Chemistry
Computer Science Applications
Mathematics
Computational Theory
Catalysis
Physical
Vibronic Coupling to Simulate the Phosphorescence Spectra of Ir(III)-Based OLED Systems: TD-DFT Results Meet Experimental Data
Journal of Molecular Modeling
Organic Chemistry
Theoretical Chemistry
Inorganic Chemistry
Computer Science Applications
Mathematics
Computational Theory
Catalysis
Physical
Correction To: The Feynman Dispersion Correction for MNDO Extended to F, Cl, Br and I
Journal of Molecular Modeling
Organic Chemistry
Theoretical Chemistry
Inorganic Chemistry
Computer Science Applications
Mathematics
Computational Theory
Catalysis
Physical
Anharmonic Effect of the Rate Constant of the Reactions of CH3SCH2OO System in High-Temperature Combustion
Canadian Journal of Chemistry
Organic Chemistry
Catalysis
Chemistry
Biosorption of Azo Dyes by Raspberry-Like Fe3O4@yeast Magnetic Microspheres and Their Efficient Regeneration Using Heterogeneous Fenton-Like Catalytic Processes Over an Up-Flow Packed Reactor
Reaction Kinetics, Mechanisms and Catalysis
Theoretical Chemistry
Catalysis
Physical
Carbon Dots Doped Silica Nanoparticles as Fluorescent Probe for Determination of Bromate in Drinking Water Samples
Canadian Journal of Chemistry
Organic Chemistry
Catalysis
Chemistry
Parameterization and Optimization of the Menthol Force Field for Molecular Dynamics Simulations
Journal of Molecular Modeling
Organic Chemistry
Theoretical Chemistry
Inorganic Chemistry
Computer Science Applications
Mathematics
Computational Theory
Catalysis
Physical
Corrigendum: Bonding Analysis of Ylidone Complexes EL2 (E = C–Pb) With Phosphine and Carbene Ligands L
Canadian Journal of Chemistry
Organic Chemistry
Catalysis
Chemistry
ForceGen: Atomic Covalent Bond Value Derivation for Gromacs
Journal of Molecular Modeling
Organic Chemistry
Theoretical Chemistry
Inorganic Chemistry
Computer Science Applications
Mathematics
Computational Theory
Catalysis
Physical
Catalytic Wet Peroxide Oxidation of Phenol Over ZnFe2O4 Nano Spinel
Canadian Journal of Chemistry
Organic Chemistry
Catalysis
Chemistry
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