AN ALGORITHM FOR GEOMETRY OPTIMIZATION WITHOUT ANALYTICAL GRADIENTS

[1] AMOS RD, CCP1844 SERC PUBL

[2] AN ALGORITHM FOR THE LOCATION OF TRANSITION-STATES [J]. JOURNAL OF COMPUTATIONAL CHEMISTRY, 1986, 7 (04) : 385 - 395

[3] SEARCH FOR STATIONARY-POINTS ON SURFACE [J]. JOURNAL OF PHYSICAL CHEMISTRY, 1985, 89 (01) : 52 - 57

[4] ON THE STRUCTURES AND RELATIVE ENERGIES OF CH3F+ ISOMERS [J]. CHEMICAL PHYSICS LETTERS, 1982, 92 (06) : 620 - 625

[5] COLLINS JB, 1976, J CHEM PHYS, V64, P5148

[6] DUPOIS M, 1980, NAT RESOUR COMPUT CH, V1

[7] A RAPIDLY CONVERGENT DESCENT METHOD FOR MINIMIZATION [J]. COMPUTER JOURNAL, 1963, 6 (02) : 163 - &

[8] THE MALONALDEHYDE EQUILIBRIUM GEOMETRY - A MAJOR STRUCTURAL SHIFT DUE TO THE EFFECTS OF ELECTRON CORRELATION [J]. JOURNAL OF CHEMICAL PHYSICS, 1985, 82 (09) : 4194 - 4198

[9] Gill PE, 1981, PRACTICAL OPTIMIZATI

[10] ON THE EVALUATION OF ANALYTIC ENERGY DERIVATIVES FOR CORRELATED WAVE-FUNCTIONS [J]. JOURNAL OF CHEMICAL PHYSICS, 1984, 81 (11) : 5031 - 5033

[1] AMOS RD, CCP1844 SERC PUBL

[2] AN ALGORITHM FOR THE LOCATION OF TRANSITION-STATES [J]. JOURNAL OF COMPUTATIONAL CHEMISTRY, 1986, 7 (04) : 385 - 395

[3] SEARCH FOR STATIONARY-POINTS ON SURFACE [J]. JOURNAL OF PHYSICAL CHEMISTRY, 1985, 89 (01) : 52 - 57

[4] ON THE STRUCTURES AND RELATIVE ENERGIES OF CH3F+ ISOMERS [J]. CHEMICAL PHYSICS LETTERS, 1982, 92 (06) : 620 - 625

[5] COLLINS JB, 1976, J CHEM PHYS, V64, P5148

[6] DUPOIS M, 1980, NAT RESOUR COMPUT CH, V1

[7] A RAPIDLY CONVERGENT DESCENT METHOD FOR MINIMIZATION [J]. COMPUTER JOURNAL, 1963, 6 (02) : 163 - &

[8] THE MALONALDEHYDE EQUILIBRIUM GEOMETRY - A MAJOR STRUCTURAL SHIFT DUE TO THE EFFECTS OF ELECTRON CORRELATION [J]. JOURNAL OF CHEMICAL PHYSICS, 1985, 82 (09) : 4194 - 4198

[9] Gill PE, 1981, PRACTICAL OPTIMIZATI

[10] ON THE EVALUATION OF ANALYTIC ENERGY DERIVATIVES FOR CORRELATED WAVE-FUNCTIONS [J]. JOURNAL OF CHEMICAL PHYSICS, 1984, 81 (11) : 5031 - 5033