Partial hessian fitting for determining force constant parameters in molecular mechanics. - Ruixing Wang; Mikhail Ozhgibesov; Hajime Hirao (J. Comput. Chem., 2016)

Analytical hessian fitting schemes for efficient determination of force-constant parameters in molecular mechanics. - Ruixing Wang; Mikhail Ozhgibesov; Hajime Hirao (J. Comput. Chem., 2018)