This repository was archived by the owner on Jun 7, 2024. It is now read-only.

Commits

Commits on Jan 30, 2016

Commits on Sep 29, 2015

Add more forbidden groups to Diels_alder for preventing 1 double bond in aromatic from being part of diene
connie
committed
Add more forbidden groups to diels_alder family
connie
committed
Forbid double bond from benzene to break aromaticity in R_Addition_Multiple_Bond
connie
committed

Commits on Sep 28, 2015

Add benzene to forbidden groups as both diene and dienophile in Diels_alder_addition family
connie
committed

Commits on Sep 23, 2015

Change rate of retroen reaction based on degeneracy
connie
committed

Commits on Sep 20, 2015

Add Retroen reaction family for alkylaromatic reactions reacting to toluene + alkene
connie
committed

Commits on May 13, 2015

Commits on Mar 18, 2015

Fix line break between entries in 'MKSabbe' thermo library.
connie
committed

Commits on Feb 27, 2015

Change order of dependencies for DASPK compilation. The other version fails.
connie
committed

Commits on Nov 13, 2014

Commits on Nov 12, 2014

Fix indenyl group adjlist in thermo Radical dictionary
connie
committed

Commits on Nov 6, 2014

Fix forbidden groups in Intra_Disproportionation. Eliminating unecessary bonds.
connie
committed

Commits on Oct 2, 2014

Include species names when reading thermo data estimator species lists.
rwest
committed

Commits on Sep 16, 2014

Few additional rate rules for intra H migrations. Mainly related to the currently discovered pathways to benzene from butadiene + allyl.

agvandeputte
authored and
shamelmerchant
committed

Commits on Aug 18, 2014

Correcting Alkene+OH addition arte coefficient
shamelmerchant
committed

Commits on Jul 14, 2014

Rate rules for recombination reactions of H with CPDyl (and similar structures)

agvandeputte
authored and
shamelmerchant
committed
New criterium for intra_R_Add_Endocyclic and intra_R_Add_exocyclic

agvandeputte
authored and
shamelmerchant
committed

Commits on Jul 7, 2014