Compare and contrast the reaction coordinate diagrams for chemical reactions and cytoskeletal force generators

Correction for Compare and contrast the reaction coordinate diagrams for chemical reactions and cytoskeletal force generators

Tutorial Review: Simulation of Oscillating Chemical Reactions Using Microsoft Excel Macros

Oscillating reactions are one of the most interesting topics in chemistry and analytical chemistry. Fluctuations in concentrations of one the reacting species (usually a reaction intermediate) create an oscillating chemical reaction. In oscillating systems, the reaction is far from thermodynamic equilibrium. In these systems, at least one autocatalytic step is required. Developing an instinctiv...

Theoretical study on the mechanism of stable phosphorus ylides derived from 5-aminoindazole in the presence of different dialkyl acetyelenedicarboxylates

In the recent work, the reaction mechanism between triphenylphosphine 1, dialkyl acetylenedicarboxylates 2 in the presence of NH-acid, such as 5-aminoindazole 3 were investigated theoretically. Quantum mechanical studies were performed for evaluation of potential energy surfaces of all structures participated in the reaction mechanism both in gas phase and in dichloromethane. The first step of ...

Olefin Production from Heavy Liquid Hydrocarbon Thermal Cracking: Kinetics and Product Distribution

Thermal cracking of a heavy liquid hydrocarbon was performed in a laboratory scale tubular reactor. Central Composite Design (CCD), was used as an experimental design method. The design variables were Coil Outlet Temperature (COT), feed flow and rate steam ratio. Maximum yield of ethylene was 30.37 wt% at COT, residence time and steam ratio of 869oC, 0.208 s and 1.22 g/g, respect...

Chemical Kinetics for Reaction of 5-Nitro-1H-benzo[d]imidazole to Produce 6-Nitro-1H-benzo[d]imidazole and Calculation of Heat Capacity of Activation

The kinetics and mechanism of the reaction of 5-nitro-1H-benzo[d] imidazole to produce 6-nitro-1H-benzo[d] imidazole was studied by employing hybrid meta-density functional theory. MPWBlK/6-31+G** level calculations were carried out to obtain energies and optimize the geometries of all stationary points along the PES, and determine the harmonic vibrational frequencies. Two transition states (TS...