Efficient Analytic Second Derivative of Electrostatic Embedding QM/MM Energy: Normal Mode Analysis of Plant Cryptochrome

Efficient Analytic Second Derivative of Electrostatic Embedding QM/MM Energy: Normal Mode Analysis of Plant Cryptochrome

Karno Schwinn, Nicolas Ferre, Miquel Huix-Rotllant,
Journal of Chemical Theory and Computation, 16 3816-3824 (2020)