A reduced-restricted-quasi-Newton-Raphson method for locating and optimizing energy crossing points between two potential energy surfaces. - Josep Maria Anglada; Josep Maria Bofill (J. Comput. Chem., 1997)

How good is a Broyden-Fletcher-Goldfarb-Shanno-like update Hessian formula to locate transition structures? Specific reformulation of Broyden-Fletcher-Goldfarb-Shanno for optimizing saddle points. - Josep Maria Anglada; Josep Maria Bofill (J. Comput. Chem., 1998)

Prediction of approximate transition states by Bell-Evans-Polanyi principle: I. - Josep Maria Anglada; Emili Besalú; Josep Maria Bofill; Ramon Crehuet (J. Comput. Chem., 1999)

Prediction of approximate transition states by Bell-Evans-Polanyi principle: II. Gas phase unimolecular decomposition of methyldioxirane. - Josep Maria Anglada; Emili Besalú; Josep Maria Bofill; Ramon Crehuet (J. Comput. Chem., 1999)

Accurate and efficient determination of higher roots in diagonalization of large matrices based in function restricted optimization algorithms. - Josep Maria Bofill; Ibério de Pinho Ribeiro Moreira; Josep Maria Anglada; Francesc Illas (J. Comput. Chem., 2000)

On the quadratic reaction path evaluated in a reduced potential energy surface model and the problem to locate transition states. - Josep Maria Anglada; Emili Besalú; Josep Maria Bofill; Ramon Crehuet (J. Comput. Chem., 2001)