Thomas A. Manz

Introducing DDEC6 atomic population analysis: part 1. Charge partitioning theory and methodology

Thomas A. Manz, Nidia Gabaldon Limas · RSC Advances · 2016 · 944 citations

Natural Sciences, Materials Science, Physics +11

Introducing DDEC6 atomic population analysis: part 2. Computed results for a wide range of periodic and nonperiodic materials

Nidia Gabaldon Limas, Thomas A. Manz · RSC Advances · 2016 · 550 citations · Full text

Natural Sciences, Chemistry, Materials Science +11

Introducing DDEC6 atomic population analysis: part 3. Comprehensive method to compute bond orders

Thomas A. Manz · RSC Advances · 2017 · 515 citations · Full text

Natural Sciences, Chemistry, Physics +12

Chemically Meaningful Atomic Charges That Reproduce the Electrostatic Potential in Periodic and Nonperiodic Materials

Thomas A. Manz, David S. Sholl · Journal of Chemical Theory and Computation · 2010 · 478 citations

Natural Sciences, Chemistry, Physics +15

Improved Atoms-in-Molecule Charge Partitioning Functional for Simultaneously Reproducing the Electrostatic Potential and Chemical States in Periodic and Nonperiodic Materials

Thomas A. Manz, David S. Sholl · Journal of Chemical Theory and Computation · 2012 · 344 citations

Natural Sciences, Chemistry, Physics +14