Search Data.gov
Found 6445 dataset(s) matching "molecular".
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This code and example files were used to run the self-consistent field theory parameterization in the publication "Predicting the toughness of compatibilized polymer blends" by Robert J. S....
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Molecular insights into the bonding mechanisms between selenium and dissolved organic matter related data and publication. This dataset is not publicly accessible because: Projects and data are...
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The medical research community is experiencing a marked increase in the amount of information available on genomic sequences and genes expressed by humans and other organisms. This information...
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The Free Energy and Advanced Sampling Simulation Toolkit (FEASST) is a free, open-source, modular program to conduct molecular and particle-based simulations with flat-histogram Monte Carlo and...
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Background Molecular mechanics (MM) and quantum chemical (QM) calculations are widely applied and powerful tools for the stereochemical and conformational investigations of molecules....
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This database contains the rotational spectral lines observed and reported in the open literature for 121 diatomic molecules through July 2002. The isotopic molecular species, assigned quantum...
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This database contains the rotational spectral lines observed and reported in the open literature for 91 hydrocarbon molecules through September 1987. The isotopic molecular species, assigned...
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Age plays a major role in tumor incidence and is an important consideration when modeling the carcinogenesis process or estimating cancer risks. Epidemiological data show that from adolescence...
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Chemical compound data from PubChem database. IUPAC Name: trimethylsilyl 2,3-bis(trimethylsilyloxy)butanoate. Molecular Formula: C13H32O4Si3. Molecular Weight: 336.65. This dataset contains...
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Chemical compound data from PubChem database. IUPAC Name: 1,4-dimethyltricyclo[5.2.1.02,6]deca-3,8-diene. Molecular Formula: C12H16. Molecular Weight: 160.25. This dataset contains comprehensive...
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Chemical compound data from PubChem database. IUPAC Name: 2-[2-(2-nonoxyethoxy)ethoxy]ethanol. Molecular Formula: C15H32O4. Molecular Weight: 276.41. This dataset contains comprehensive chemical...
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Chemical compound data from PubChem database. IUPAC Name: 3-methyl-1-(2-methylpropylsulfanyl)butane. Molecular Formula: C9H20S. Molecular Weight: 160.32. This dataset contains comprehensive...
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Chemical compound data from PubChem database. IUPAC Name: dodec-9-ynyl 3-methylbenzoate. Molecular Formula: C20H28O2. Molecular Weight: 300.4. This dataset contains comprehensive chemical...
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Chemical compound data from PubChem database. IUPAC Name: benzyl tridecanoate. Molecular Formula: C20H32O2. Molecular Weight: 304.5. This dataset contains comprehensive chemical information...
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Chemical compound data from PubChem database. IUPAC Name: 7,13,17-trimethyltritriacontane. Molecular Formula: C36H74. Molecular Weight: 507.0. This dataset contains comprehensive chemical...
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Chemical compound data from PubChem database. IUPAC Name: 3-chloropentyl acetate. Molecular Formula: C7H13ClO2. Molecular Weight: 164.63. This dataset contains comprehensive chemical information...
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Chemical compound data from PubChem database. IUPAC Name: 1-(furan-2-ylmethyl)pyrrole-2-carbaldehyde. Molecular Formula: C10H9NO2. Molecular Weight: 175.18. This dataset contains comprehensive...
