ChemInform Abstract: A DAMPED NONLINEAR LEAST-SQUARES COMPUTER PROGRAM (DALSFRK) FOR THE EVALUATION OF REACTION RATE CONSTANTS

1978 ◽  
Vol 9 (17) ◽  
Author(s):  
R. M. ALCOCK ◽  
F. R. HARTLEY ◽  
D. E. ROGERS
Keyword(s):  
Computer Program ◽  
Least Squares ◽  
Rate Constants ◽  
Reaction Rate ◽  
Nonlinear Least Squares ◽  
Reaction Rate Constants

Constrained least squares methods for estimating reaction rate constants from spectroscopic data

2002 ◽  
Vol 16 (1) ◽  
pp. 28-40 ◽  
Author(s):  
Sabina Bijlsma ◽  
Hans F. M. Boelens ◽  
Huub?C. J. Hoefsloot ◽  
Age K. Smilde
Keyword(s):  
Least Squares ◽  
Rate Constants ◽  
Spectroscopic Data ◽  
Reaction Rate ◽  
Constrained Least Squares ◽  
Reaction Rate Constants

MORATE 6.5: A new version of a computer program for direct dynamics calculations of chemical reaction rate constants

1995 ◽  
Vol 88 (2-3) ◽  
pp. 344-346 ◽  
Author(s):  
Wei-Ping Hu ◽  
Gillian C. Lynch ◽  
Yi-Ping Liu ◽  
Ivan Rossi ◽  
James J.P. Stewart ◽  
...  
Keyword(s):  
Computer Program ◽  
Chemical Reaction ◽  
Rate Constants ◽  
Reaction Rate ◽  
Direct Dynamics ◽  
Reaction Rate Constants ◽  
Chemical Reaction Rate

scholarly journals Aquation reaction of iminodiacetate complex of oxidovanadium(IV) with 2,2’-bipyridine induced by Fe(III) ions: Kinetic studies

2019 ◽  
Vol 44 (4) ◽  
pp. 300-306
Author(s):  
Joanna Drzeżdżon ◽  
Agnieszka Piotrowska-Kirschling ◽  
Lech Chmurzyński ◽  
Dagmara Jacewicz
Keyword(s):  
Aqueous Solutions ◽  
Computer Program ◽  
Rate Constants ◽  
Reaction Rate ◽  
Kinetic Studies ◽  
Reaction Rate Constants ◽  
Different Temperatures ◽  
Kinetics Of

The kinetics of the aquation reaction of the [VO(ida)(bipy)]·2H2O (VO(ida)(bipy)) complex (where ida = iminodiacetate anion and bipy = 2,2’-bipyridine) promoted by [Fe(H2O)6]3+ ions were investigated in aqueous solutions. Spectrophotometric studies were carried out at different temperatures in the range of 293.15–313.15 K. The concentration of the [Fe(H2O)6]3+ (Fe3+) ions was kept within the range of 2 × 10–4 to 8 × 10–4 mol L–1, and the concentration of VO(ida)(bipy) was 1 × 10–3 mol L–1. The values of the observable reaction rate constants were calculated based on the Glint computer program. Furthermore, the mechanism for the aquation of VO(ida)(bipy), induced by Fe(III) ions, has been proposed.

Measurement of the OH Reaction Rate Constants for CF3CH2OH, CF3CF2CH2OH, and CF3CH(OH)CF3

1999 ◽  
Vol 103 (15) ◽  
pp. 2664-2672 ◽  
Author(s):  
Kazuaki Tokuhashi ◽  
Hidekazu Nagai ◽  
Akifumi Takahashi ◽  
Masahiro Kaise ◽  
Shigeo Kondo ◽  
...  
Keyword(s):  
Rate Constants ◽  
Reaction Rate ◽  
Reaction Rate Constants

scholarly journals PREDICTION OF REACTION RATE CONSTANTS OF HYDROXYL RADICAL WITH ORGANIC COMPOUNDS

2014 ◽  
Vol 59 (1) ◽  
pp. 2252-2259 ◽  
Author(s):  
ZHEN CHEN ◽  
XINLIANG YU ◽  
XIANWEI HUANG ◽  
SHIHUA ZHANG
Keyword(s):  
Hydroxyl Radical ◽  
Organic Compounds ◽  
Rate Constants ◽  
Reaction Rate ◽  
Reaction Rate Constants
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