On the quadratic reaction path evaluated in a reduced potential energy surface model and the problem to locate transition states. | 12 | 1.42 | 2001 |
Accurate and efficient determination of higher roots in diagonalization of large matrices based in function restricted optimization algorithms | 0 | 0.34 | 2000 |
Prediction of approximate transition states by Bell-Evans-Polanyi principle: I | 2 | 0.75 | 1999 |
Prediction of approximate transition states by Bell-Evans-Polanyi principle: II. Gas phase unimolecular decomposition of methyldioxirane | 0 | 0.34 | 1999 |
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. | 3 | 0.77 | 1998 |
A reduced-restricted-quasi-Newton-Raphson method for locating and optimizing energy crossing points between two potential energy surfaces | 4 | 3.08 | 1997 |