Nicholas J Mayhall

Multiple Solutions to the Single-Reference CCSD Equations for NiH.

Nicholas J Mayhall, Krishnan Raghavachari, K. Raghavachari, 2010, Journal of chemical theory and computation.

Charge Transfer Across ONIOM QM:QM Boundaries: The Impact of Model System Preparation.

Nicholas J Mayhall, Krishnan Raghavachari, 2010, Journal of chemical theory and computation.

Molecules-in-Molecules: An Extrapolated Fragment-Based Approach for Accurate Calculations on Large Molecules and Materials.

Nicholas J Mayhall, Krishnan Raghavachari, K. Raghavachari, 2011, Journal of chemical theory and computation.

Many-Overlapping-Body (MOB) Expansion: A Generalized Many Body Expansion for Nondisjoint Monomers in Molecular Fragmentation Calculations of Covalent Molecules.

Nicholas J Mayhall, Krishnan Raghavachari, K. Raghavachari, 2012, Journal of chemical theory and computation.

A Combined Spin-Flip and IP/EA Approach for Handling Spin and Spatial Degeneracies: Application to Double Exchange Systems.

Nicholas J Mayhall, Shannon E Houck, Shannon Houck, 2018, Journal of chemical theory and computation.