| 2001 |
|---|
| 7 | EE | 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.
Journal of Computational Chemistry 22(4): 387-406 (2001) |
| 6 | EE | 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.
Journal of Computational Chemistry 22(7): 803 (2001) |
| 2000 |
|---|
| 5 | EE | 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.
Journal of Computational Chemistry 21(15): 1375-1386 (2000) |
| 1999 |
|---|
| 4 | EE | Josep Maria Anglada,
Emili Besalú,
Josep Maria Bofill,
Ramon Crehuet:
Prediction of approximate transition states by Bell-Evans-Polanyi principle: I.
Journal of Computational Chemistry 20(11): 1112-1129 (1999) |
| 3 | EE | 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.
Journal of Computational Chemistry 20(11): 1130-1137 (1999) |
| 1998 |
|---|
| 2 | EE | 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.
Journal of Computational Chemistry 19(3): 349-362 (1998) |
| 1997 |
|---|
| 1 | EE | 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.
Journal of Computational Chemistry 18(8): 992-1003 (1997) |
