Josep Maria Anglada - researchr alias

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Viewing Publication 1 - 7 from 7

2001

On the quadratic reaction path evaluated in a reduced potential energy surface model and the problem to locate transition statesJosep Maria Anglada, Emili Besalú, Josep Maria Bofill, Ramon Crehuet. jcc, 22(7):803, 2001. [doi]

On the quadratic reaction path evaluated in a reduced potential energy surface model and the problem to locate transition statesJosep Maria Anglada, Emili Besalú, Josep Maria Bofill, Ramon Crehuet. jcc, 22(4):387-406, 2001. [doi]

2000

Accurate and efficient determination of higher roots in diagonalization of large matrices based in function restricted optimization algorithmsJosep Maria Bofill, Ibério de Pinho Ribeiro Moreira, Josep Maria Anglada, Francesc Illas. jcc, 21(15):1375-1386, 2000. [doi]

1999

Prediction of approximate transition states by Bell-Evans-Polanyi principle: II. Gas phase unimolecular decomposition of methyldioxiraneJosep Maria Anglada, Emili Besalú, Josep Maria Bofill, Ramon Crehuet. jcc, 20(11):1130-1137, 1999. [doi]

Prediction of approximate transition states by Bell-Evans-Polanyi principle: IJosep Maria Anglada, Emili Besalú, Josep Maria Bofill, Ramon Crehuet. jcc, 20(11):1112-1129, 1999. [doi]

1998

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 pointsJosep Maria Anglada, Josep Maria Bofill. jcc, 19(3):349-362, 1998. [doi]

1997

A reduced-restricted-quasi-Newton-Raphson method for locating and optimizing energy crossing points between two potential energy surfacesJosep Maria Anglada, Josep Maria Bofill. jcc, 18(8):992-1003, 1997. [doi]

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