𝔖 Bobbio Scriptorium
✦   LIBER   ✦

Parameterization of reaction mechanisms using orthonormal polynomials

✍ Scribed by Tamás Turányi

Publisher
Elsevier Science
Year
1994
Tongue
English
Weight
1011 KB
Volume
18
Category
Article
ISSN
0097-8485

No coin nor oath required. For personal study only.

📜 SIMILAR VOLUMES

Use of orthonormal polynomials in calibr
Use of orthonormal polynomials in calibration problems
✍ N. Bogdanova; V. Gadjokov 📂 Article 📅 1981 🏛 Elsevier Science 🌐 English ⚖ 357 KB

A general approach to calibration problems is proposed. It is based on the use of polynomials orthonormal over discrete point sets with arbitrary positive weights. These are numerically built by means of recurrence relations of the Forsythe-Weisfeld type. Numerical results from processing calibratio

Computation of optimal control trajector
Computation of optimal control trajectories using Chebyshev polynomials: parameterization, and quadratic programming
✍ H. Jaddu; E. Shimemura 📂 Article 📅 1999 🏛 John Wiley and Sons 🌐 English ⚖ 213 KB 👁 2 views

An algorithm is proposed to solve the optimal control problem for linear and nonlinear systems with quadratic performance index. The method is based on parameterizing the state variables by Chebyshev series. The control variables are obtained from the system state equations as a function of the appr

Parameterization of NDDO wavefunctions u
Parameterization of NDDO wavefunctions using genetic algorithms. An evolutionary approach to parameterizing potential energy surfaces and direct dynamics calculations for organic reactions
✍ Ivan Rossi; Donald G. Truhlar 📂 Article 📅 1995 🏛 Elsevier Science 🌐 English ⚖ 462 KB

We used a genetic algorithm to fit a set of energy differences obtained by neglect-of-diatomic-differential-overlap (NDDO) molecular orbital theory to reference ab initio data, yielding a set of specific reaction parameters (SRP) for the reaction CI + CH 4. Only a small number ab initio points along