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Publications in Inorganic Chemistry
FTIR, Raman, and UV-Vis Spectroscopic and DFT Investigations of the Structure of Iron–lead–tellurate Glasses
Journal of Molecular Modeling
Organic Chemistry
Theoretical Chemistry
Inorganic Chemistry
Computer Science Applications
Mathematics
Computational Theory
Catalysis
Physical
RNA and Protein 3D Structure Modeling: Similarities and Differences
Journal of Molecular Modeling
Organic Chemistry
Theoretical Chemistry
Inorganic Chemistry
Computer Science Applications
Mathematics
Computational Theory
Catalysis
Physical
Optimization of Parameters for Semiempirical Methods VI: More Modifications to the NDDO Approximations and Re-Optimization of Parameters
Journal of Molecular Modeling
Organic Chemistry
Theoretical Chemistry
Inorganic Chemistry
Computer Science Applications
Mathematics
Computational Theory
Catalysis
Physical
Brainstorming: Weighted Voting Prediction of Inhibitors for Protein Targets
Journal of Molecular Modeling
Organic Chemistry
Theoretical Chemistry
Inorganic Chemistry
Computer Science Applications
Mathematics
Computational Theory
Catalysis
Physical
Preparation of NZP-Type Ca0.75 + 0.5xZr1.5Fe0.5(PO4)3 –X(SiO4)x Powders and Ceramic, Thermal Expansion Behavior
Inorganic Materials
Inorganic Chemistry
Alloys
Materials Chemistry
Chemical Engineering
Metals
Molecular Modeling Study of Intercalation Complexes of Tricyclic Carboxamides With D(CCGGCGCCGG)2 and D(CGCGAATTCGCG)2
Journal of Molecular Modeling
Organic Chemistry
Theoretical Chemistry
Inorganic Chemistry
Computer Science Applications
Mathematics
Computational Theory
Catalysis
Physical
Strain-Induced Electronic Band Convergence: Effect on the Seebeck Coefficient of Mg2Si for Thermoelectric Applications
Journal of Molecular Modeling
Organic Chemistry
Theoretical Chemistry
Inorganic Chemistry
Computer Science Applications
Mathematics
Computational Theory
Catalysis
Physical
Long-Range Corrected DFT Calculations of Charge-Transfer Integrals in Model Metal-Free Phthalocyanine Complexes
Journal of Molecular Modeling
Organic Chemistry
Theoretical Chemistry
Inorganic Chemistry
Computer Science Applications
Mathematics
Computational Theory
Catalysis
Physical
In Silico Screening of Dicarboxylic Acids for Cocrystallization With Phenylpiperazine Derivatives Based on Both Cocrystallization Propensity and Solubility Advantage
Journal of Molecular Modeling
Organic Chemistry
Theoretical Chemistry
Inorganic Chemistry
Computer Science Applications
Mathematics
Computational Theory
Catalysis
Physical
Application of a Computational Model of Natural Deep Eutectic Solvents Utilizing the COSMO-RS Approach for Screening of Solvents With High Solubility of Rutin
Journal of Molecular Modeling
Organic Chemistry
Theoretical Chemistry
Inorganic Chemistry
Computer Science Applications
Mathematics
Computational Theory
Catalysis
Physical
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