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Characterization and Three-dimensional Structural Modeling of Humic Acid via Molecular Mechanics and Molecular Dynamic Simulation |
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| Authors: | ZHAO Nan L[U] Yi-zhong LI Guang-jun |
| Affiliation: | [1]College of Resources and Environmental Sciences, China Agricultural University, Beijing 100193, P.R.China [2]School of Chemistry and Environment, Beijing University of Aeronautics and Astronautics,Beijing 100191, P.R.China |
| Abstract: | Alluvial soil Humic acid Conceptual model Elemental analysis Pyrolysis gas chromatography-mass spectrometry（Py-GC-MS） 13C nuclear magnetic resonance（13C NMR） Molecular simulation Three-dimensional structure Optimized potential for liquid simulatio |
| Keywords: | Alluvial soil Humic acid Conceptual model Elemental analysis Pyrolysis gas chromatography-mass spectrometry（Py-GC-MS） 13C nuclear magnetic resonance（13C NMR） Molecular simulation Three-dimensional structure Optimized potential for liquid simulatio |
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