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ORCIDJosep Maria Anglada
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Journal Articles
- 2001
[j7]Josep Maria Anglada, Emili Besalú, Josep Maria Bofill, Ramon Crehuet:
On the quadratic reaction path evaluated in a reduced potential energy surface model and the problem to locate transition states. J. Comput. Chem. 22(4): 387-406 (2001)- [j6]Josep Maria Anglada, Emili Besalú, Josep Maria Bofill
, Ramon Crehuet:
On the quadratic reaction path evaluated in a reduced potential energy surface model and the problem to locate transition states. J. Comput. Chem. 22(7): 803 (2001) - 2000
- [j5]Josep Maria Bofill, Ibério de Pinho Ribeiro Moreira, Josep Maria Anglada, Francesc Illas:
Accurate and efficient determination of higher roots in diagonalization of large matrices based in function restricted optimization algorithms. J. Comput. Chem. 21(15): 1375-1386 (2000) - 1999
- [j4]Josep Maria Anglada, Emili Besalú, Josep Maria Bofill, Ramon Crehuet:
Prediction of approximate transition states by Bell-Evans-Polanyi principle: I. J. Comput. Chem. 20(11): 1112-1129 (1999) - [j3]Josep Maria Anglada, Emili Besalú, Josep Maria Bofill, Ramon Crehuet:
Prediction of approximate transition states by Bell-Evans-Polanyi principle: II. Gas phase unimolecular decomposition of methyldioxirane. J. Comput. Chem. 20(11): 1130-1137 (1999) - 1998
- [j2]Josep Maria Anglada, Josep Maria Bofill:
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. J. Comput. Chem. 19(3): 349-362 (1998) - 1997
- [j1]Josep Maria Anglada, Josep Maria Bofill:
A reduced-restricted-quasi-Newton-Raphson method for locating and optimizing energy crossing points between two potential energy surfaces. J. Comput. Chem. 18(8): 992-1003 (1997)
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