Publications (co-)authored by John Herbert with students in the Biophysics program

Paige E Bowling, Saswata Dasgupta, and John M Herbert
"Eliminating Imaginary Vibrational Frequencies in Quantum-Chemical Cluster Models of Enzymatic Active Sites."
J Chem Inf Model 64, 3912-3922 (2024).

Paige E Bowling, Dustin R Broderick, and John M Herbert
"Fragment-Based Calculations of Enzymatic Thermochemistry Require Dielectric Boundary Conditions."
J Phys Chem Lett 14, 3826-3834 (2023).

Montgomery Gray, Paige E Bowling, and John M Herbert
"Systematic Evaluation of Counterpoise Correction in Density Functional Theory."
J Chem Theory Comput 18, 6742-6756 (2022).