… POLYRATE is a computer program for the calculation of chemical reaction rates of polyatomic
… 7. An option has been added to allow quantization of the reactioncoordinate motion for …

… POLYRATE is a computer program for the calculation of chemical reaction rates of … In
either case a license agreement is available from the distribuTitle of program: POLYRATE…

… Polyrate is a suite of computer programs for the calculation of … Polyrate can calculate
the rate constants for both bimolecular … Polyrate can perform VTST calculations on gas-phase …

… New Version of POLYRATE POLYRATE is a computer program for calculating unimolecular
and bimolecular chemical reaction rates of polyatomic species (and also of atoms and …

POLYRATE is a computer program for the calculation of chemical reaction rates of … 1, 2
POLYRATE v. 7.3. 1 is an enhanced version of POLYRATE with improved capabilities for direct …

… to calculate transmission coeffiSeparate documentation available: POLYRATE Program Man-
… Rate constants calculated by POLYRATE are transmission probability as a function of en- …

… the POLYRATE and … and POLYRATE for the dynamics, or (ii) to carry out normal mode
analysis using the multilevel methods of MULTILEVEL. The interface is based on the POLYRATE …

… and using POLYRATE for the dynamics. The interface is based on the POLYRATE hooks …
Beginning with POLYRATE-version 7.0, anharmonicities not supported with the TST-only …

… The computer program is a conveniently interfaced package consisting of the POLYRATE
program, version 6.5, … 7. The scripts for compilation and job submission have been improved. …

… The POLYRATE main program becomes a subprogram of CHARMM. POLYRATE can be …
This test job takes roughly 7 hours on a SGI/R10000 computer. Run Test Job 2 if you are not …