Quadratic Synchronous Transit QST

QCISD(T) 207, 208 QCPE (Quantum Chemistry Program Exchange) 173 QM/MM model 262 QSAR (Quantitative Structure and Activity Relations) 56 QST (Quadratic Synchronous Transit)... 

BFGS = Broyden - Fletcher - Goldfarb - Shanno DFP = Davidson-Fletcher-Powell EF = eigenvector following GDIIS = geometry optimization by direct inversion of the iterative subspace LST = linear synchronous transit QST = quadratic synchronous transit RFO = rational function optimization. 

CPR = conjugate peak refinement GDIIS = geometry direct inversion in the iterative subspace GE = gradient extremal LST = linear synchronous transit LTP = line then plane LUP = locally updated planes NR = Newton-Raph-son P-RFO = partitioned rational function optimization QA = quadratic approximation QST = quadratic synchronous transit SPW = self-penalty walk STQN = synchronous transit-guided quasi-Newton TRIM = trust radius image minimization TS = transition structure. 

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See also in sourсe #XX -- [ ]

See also in sourсe #XX -- [ ]

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