Reference Type | Journal (article/letter/editorial) |
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Title | Comprehensive Automated Routine Implementation, Validation, and Benchmark of the Anisotropic Force Field (AUA4) Using Python and GROMACS |
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Journal | The Journal of Physical Chemistry A |
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Authors | Castro Anaya, Luis Eduardo | Author |
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Gómez, Sergio Y. | Author |
Orozco, Gustavo A. | Author |
Year | 2023 (February 16) | Volume | 127 |
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Issue | 6 |
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Publisher | American Chemical Society (ACS) |
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DOI | doi:10.1021/acs.jpca.2c08335Search in ResearchGate |
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| Generate Citation Formats |
Mindat Ref. ID | 15708913 | Long-form Identifier | mindat:1:5:15708913:6 |
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GUID | 0 |
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Full Reference | Castro Anaya, Luis Eduardo, Gómez, Sergio Y., Orozco, Gustavo A. (2023) Comprehensive Automated Routine Implementation, Validation, and Benchmark of the Anisotropic Force Field (AUA4) Using Python and GROMACS. The Journal of Physical Chemistry A, 127 (6) 1555-1563 doi:10.1021/acs.jpca.2c08335 |
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Plain Text | Castro Anaya, Luis Eduardo, Gómez, Sergio Y., Orozco, Gustavo A. (2023) Comprehensive Automated Routine Implementation, Validation, and Benchmark of the Anisotropic Force Field (AUA4) Using Python and GROMACS. The Journal of Physical Chemistry A, 127 (6) 1555-1563 doi:10.1021/acs.jpca.2c08335 |
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In | (2023, February) The Journal of Physical Chemistry A Vol. 127 (6) American Chemical Society (ACS) |
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