Nidia Gabaldon Limas
Affiliations: | 2012-2017 | Chemical & Materials Engineering | New Mexico State University, Las Cruces, NM, United States |
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Manz TA, Limas NG. (2022) Correction: Introducing DDEC6 atomic population analysis: part 1. Charge partitioning theory and methodology. Rsc Advances. 12: 14384 |
Manz TA, Chen T, Cole DJ, et al. (2019) New scaling relations to compute atom-in-material polarizabilities and dispersion coefficients: part 1. Theory and accuracy. Rsc Advances. 9: 19297-19324 |
Manz TA, Chen T, Cole DJ, et al. (2019) New scaling relations to compute atom-in-material polarizabilities and dispersion coefficients: part 1. Theory and accuracy Rsc Advances. 9: 19297-19324 |
Limas NG, Manz TA. (2018) Introducing DDEC6 atomic population analysis: part 4. Efficient parallel computation of net atomic charges, atomic spin moments, bond orders, and more. Rsc Advances. 8: 2678-2707 |
Limas NG, Manz TA. (2018) Introducing DDEC6 atomic population analysis: part 4. Efficient parallel computation of net atomic charges, atomic spin moments, bond orders, and more Rsc Advances. 8: 2678-2707 |
Limas NG, Manz TA. (2016) Introducing DDEC6 atomic population analysis: part 2. Computed results for a wide range of periodic and nonperiodic materials Rsc Advances. 6: 45727-45747 |
Manz TA, Limas NG. (2016) Introducing DDEC6 atomic population analysis: part 1. Charge partitioning theory and methodology Rsc Advances. 6: 47771-47801 |
Lee LP, Limas NG, Cole DJ, et al. (2014) Expanding the Scope of Density Derived Electrostatic and Chemical Charge Partitioning to Thousands of Atoms. Journal of Chemical Theory and Computation. 10: 5377-90 |