Efficient newton-raphson/singular value decomposition-based optimization scheme with dynamically updated critical condition number for rapid convergence of weighted histogram analy...

von Mukhopadhyay, Roma
Veröffentlicht in: Journal of computational chemistry (2020)

Computational design of S-nitrosothiol "click" reactions

von Talipov, Marat R
Veröffentlicht in: Journal of computational chemistry (2013)