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Publications in Inorganic Chemistry
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
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
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
Calendar
Gold Bulletin
Materials Science
Inorganic Chemistry
Long Range Molecular Dynamics Study of Regulation of Eukaryotic Glucosamine-6-Phosphate Synthase Activity by UDP-GlcNAc
Journal of Molecular Modeling
Organic Chemistry
Theoretical Chemistry
Inorganic Chemistry
Computer Science Applications
Mathematics
Computational Theory
Catalysis
Physical
Size Extensivity of Elastic Properties of Alkane Fragments
Journal of Molecular Modeling
Organic Chemistry
Theoretical Chemistry
Inorganic Chemistry
Computer Science Applications
Mathematics
Computational Theory
Catalysis
Physical
Water-Assisted Peptide Bond Formation Between Two Double Amino Acid Molecules in the Gas Phase
Journal of Molecular Modeling
Organic Chemistry
Theoretical Chemistry
Inorganic Chemistry
Computer Science Applications
Mathematics
Computational Theory
Catalysis
Physical
International Conference on “Modeling Interaction in Biomolecules 2011”, in Kutná Hora, September 4th–9th, 2011
Journal of Molecular Modeling
Organic Chemistry
Theoretical Chemistry
Inorganic Chemistry
Computer Science Applications
Mathematics
Computational Theory
Catalysis
Physical
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