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Disambiguation of "Ayers, Paul W."

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Relativistic (SR-ZORA) quantum theory of atoms in molecules properties.

, , , and . J. Comput. Chem., 38 (2): 81-86 (2017)

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Paul W Bruno

W Friedt

W Geurtsen

W Weigand

W Sekundo

 

Other publications of authors with the same name

Atomic Charges and the Electrostatic Potential Are Ill-Defined in Degenerate Ground States, , , , and . Journal of Chemical Theory and Computation, 9 (11): 4779-4788 (November 2013)Drug release by pH-responsive molecular tweezers: Atomistic details from molecular modeling., , and . J. Comput. Chem., 35 (21): 1545-1551 (2014)Variational density matrix optimization using semidefinite programming., , , , and . Comput. Phys. Commun., 182 (9): 2025-2028 (2011)A New Mean-Field Method Suitable for Strongly Correlated Electrons: Computationally Facile Antisymmetric Products of Nonorthogonal Geminals, , , , , and . Journal of Chemical Theory and Computation, 9 (3): 1394-1401 (March 2013)Empirical prediction of protein pKavalues with residue mutation., and . J. Comput. Chem., 32 (10): 2140-2148 (2011)Quantum Mechanics/Molecular Mechanics Strategies for Docking Pose Refinement: Distinguishing between Binders and Decoys in Cytochrome c Peroxidase., , and . Journal of Chemical Information and Modeling, 51 (1): 93-101 (2011)Orbital energies and nuclear forces in DFT: Interpretation and validation., , , , and . J. Comput. Chem., 42 (5): 334-343 (2021)CheMPS2: A free open-source spin-adapted implementation of the density matrix renormalization group for ab initio quantum chemistry., , , and . Comput. Phys. Commun., 185 (6): 1501-1514 (2014)Relativistic (SR-ZORA) quantum theory of atoms in molecules properties., , , and . J. Comput. Chem., 38 (2): 81-86 (2017)