Public Archive

This is the public archive with unique ID YXJjaGl2ZS02eDBrbF8= .
The user-supplied meta data and files are available below.

Archive Meta Data

Owner: /C=DK/ST=NA/L=NA/O=CHEM/OU=NA/CN=Kristian Holten Møller/emailAddress=khm@chem.ku.dk
Name: Cost-effective Implementation of Multi-Conformer Transition State Theory for Peroxy Radical Hydrogen Shift Reactions
Description: The archive contains: - Scripts for identifying unique and duplicate conformers - Gaussian log-files for wB97X-D/aug-cc-pVTZ optimizations and frequency calculations for all unique conformers at that level of theory
Date: 2016-11-28 13:08:03.503627

Archive Files

Cost-effective Implementation of Multi-Conformer Transition State Theory for Peroxy Radical Hydrogen Shift Reactions/Scripts for Duplicate Identification/conftjek
Cost-effective Implementation of Multi-Conformer Transition State Theory for Peroxy Radical Hydrogen Shift Reactions/Scripts for Duplicate Identification/elim-conftjek.py
Cost-effective Implementation of Multi-Conformer Transition State Theory for Peroxy Radical Hydrogen Shift Reactions/Scripts for Duplicate Identification/mkxyz
Cost-effective Implementation of Multi-Conformer Transition State Theory for Peroxy Radical Hydrogen Shift Reactions/wB97X-D aug-cc-pVTZ log-files/Reactant/Conf-search-SYBYL-default05-aVTZ-new.log
Cost-effective Implementation of Multi-Conformer Transition State Theory for Peroxy Radical Hydrogen Shift Reactions/wB97X-D aug-cc-pVTZ log-files/Reactant/Conf-search-SYBYL-default20-aVTZ.log
Cost-effective Implementation of Multi-Conformer Transition State Theory for Peroxy Radical Hydrogen Shift Reactions/wB97X-D aug-cc-pVTZ log-files/Reactant/Conf-search-SYBYL-default41-aVTZ.log
Cost-effective Implementation of Multi-Conformer Transition State Theory for Peroxy Radical Hydrogen Shift Reactions/wB97X-D aug-cc-pVTZ log-files/Reactant/Conf-search-SYBYL-default46-aVTZ.log
Cost-effective Implementation of Multi-Conformer Transition State Theory for Peroxy Radical Hydrogen Shift Reactions/wB97X-D aug-cc-pVTZ log-files/Reactant/Conf-search-SYBYL-default08-aVTZ.log
Cost-effective Implementation of Multi-Conformer Transition State Theory for Peroxy Radical Hydrogen Shift Reactions/wB97X-D aug-cc-pVTZ log-files/Reactant/Conf-search-SYBYL-default67-aVTZ.log
Cost-effective Implementation of Multi-Conformer Transition State Theory for Peroxy Radical Hydrogen Shift Reactions/wB97X-D aug-cc-pVTZ log-files/Reactant/Conf-search-SYBYL-default30-aVTZ.log
Cost-effective Implementation of Multi-Conformer Transition State Theory for Peroxy Radical Hydrogen Shift Reactions/wB97X-D aug-cc-pVTZ log-files/Reactant/Conf-search-SYBYL-default02-aVTZ-new.log
Cost-effective Implementation of Multi-Conformer Transition State Theory for Peroxy Radical Hydrogen Shift Reactions/wB97X-D aug-cc-pVTZ log-files/Reactant/Conf-search-SYBYL-default72-new-aVTZ-new-new-wb-dir.log
Cost-effective Implementation of Multi-Conformer Transition State Theory for Peroxy Radical Hydrogen Shift Reactions/wB97X-D aug-cc-pVTZ log-files/Reactant/Conf-search-SYBYL-default62-aVTZ.log
Cost-effective Implementation of Multi-Conformer Transition State Theory for Peroxy Radical Hydrogen Shift Reactions/wB97X-D aug-cc-pVTZ log-files/Reactant/Conf-search-SYBYL-default19-aVTZ.log
Cost-effective Implementation of Multi-Conformer Transition State Theory for Peroxy Radical Hydrogen Shift Reactions/wB97X-D aug-cc-pVTZ log-files/Reactant/Conf-search-SYBYL-default32-aVTZ.log
Cost-effective Implementation of Multi-Conformer Transition State Theory for Peroxy Radical Hydrogen Shift Reactions/wB97X-D aug-cc-pVTZ log-files/Reactant/Conf-search-SYBYL-default25-aVTZ.log
Cost-effective Implementation of Multi-Conformer Transition State Theory for Peroxy Radical Hydrogen Shift Reactions/wB97X-D aug-cc-pVTZ log-files/Reactant/Conf-search-SYBYL-default12-aVTZ.log
Cost-effective Implementation of Multi-Conformer Transition State Theory for Peroxy Radical Hydrogen Shift Reactions/wB97X-D aug-cc-pVTZ log-files/Reactant/Conf-search-SYBYL-default70-aVTZ.log
Cost-effective Implementation of Multi-Conformer Transition State Theory for Peroxy Radical Hydrogen Shift Reactions/wB97X-D aug-cc-pVTZ log-files/Reactant/Conf-search-SYBYL-default17-aVTZ.log
Cost-effective Implementation of Multi-Conformer Transition State Theory for Peroxy Radical Hydrogen Shift Reactions/wB97X-D aug-cc-pVTZ log-files/Reactant/Conf-search-SYBYL-default55-aVTZ.log
Cost-effective Implementation of Multi-Conformer Transition State Theory for Peroxy Radical Hydrogen Shift Reactions/wB97X-D aug-cc-pVTZ log-files/Reactant/Conf-search-SYBYL-default35-aVTZ.log
Cost-effective Implementation of Multi-Conformer Transition State Theory for Peroxy Radical Hydrogen Shift Reactions/wB97X-D aug-cc-pVTZ log-files/Reactant/Conf-search-SYBYL-default34-aVTZ.log
Cost-effective Implementation of Multi-Conformer Transition State Theory for Peroxy Radical Hydrogen Shift Reactions/wB97X-D aug-cc-pVTZ log-files/Reactant/Conf-search-SYBYL-default38-aVTZ.log
Cost-effective Implementation of Multi-Conformer Transition State Theory for Peroxy Radical Hydrogen Shift Reactions/wB97X-D aug-cc-pVTZ log-files/Reactant/Conf-search-SYBYL-default16-aVTZ.log
Cost-effective Implementation of Multi-Conformer Transition State Theory for Peroxy Radical Hydrogen Shift Reactions/wB97X-D aug-cc-pVTZ log-files/Reactant/Conf-search-SYBYL-default61-aVTZ.log
Cost-effective Implementation of Multi-Conformer Transition State Theory for Peroxy Radical Hydrogen Shift Reactions/wB97X-D aug-cc-pVTZ log-files/Reactant/Conf-search-SYBYL-default26-aVTZ.log
Cost-effective Implementation of Multi-Conformer Transition State Theory for Peroxy Radical Hydrogen Shift Reactions/wB97X-D aug-cc-pVTZ log-files/Reactant/Conf-search-SYBYL-default33-aVTZ.log
Cost-effective Implementation of Multi-Conformer Transition State Theory for Peroxy Radical Hydrogen Shift Reactions/wB97X-D aug-cc-pVTZ log-files/Reactant/Conf-search-SYBYL-default21-aVTZ.log
Cost-effective Implementation of Multi-Conformer Transition State Theory for Peroxy Radical Hydrogen Shift Reactions/wB97X-D aug-cc-pVTZ log-files/Reactant/Conf-search-SYBYL-default36-aVTZ.log
Cost-effective Implementation of Multi-Conformer Transition State Theory for Peroxy Radical Hydrogen Shift Reactions/wB97X-D aug-cc-pVTZ log-files/Reactant/Conf-search-SYBYL-default29-aVTZ.log
Cost-effective Implementation of Multi-Conformer Transition State Theory for Peroxy Radical Hydrogen Shift Reactions/wB97X-D aug-cc-pVTZ log-files/Reactant/Conf-search-SYBYL-default37-aVTZ.log
Cost-effective Implementation of Multi-Conformer Transition State Theory for Peroxy Radical Hydrogen Shift Reactions/wB97X-D aug-cc-pVTZ log-files/Reactant/Conf-search-SYBYL-default74-aVTZ.log
Cost-effective Implementation of Multi-Conformer Transition State Theory for Peroxy Radical Hydrogen Shift Reactions/wB97X-D aug-cc-pVTZ log-files/Reactant/Conf-search-SYBYL-default73-aVTZ.log
Cost-effective Implementation of Multi-Conformer Transition State Theory for Peroxy Radical Hydrogen Shift Reactions/wB97X-D aug-cc-pVTZ log-files/Reactant/Conf-search-SYBYL-default22-aVTZ-new.log
Cost-effective Implementation of Multi-Conformer Transition State Theory for Peroxy Radical Hydrogen Shift Reactions/wB97X-D aug-cc-pVTZ log-files/Reactant/Conf-search-SYBYL-default11-aVTZ.log
Cost-effective Implementation of Multi-Conformer Transition State Theory for Peroxy Radical Hydrogen Shift Reactions/wB97X-D aug-cc-pVTZ log-files/Reactant/Conf-search-SYBYL-default10-aVTZ.log
Cost-effective Implementation of Multi-Conformer Transition State Theory for Peroxy Radical Hydrogen Shift Reactions/wB97X-D aug-cc-pVTZ log-files/Reactant/Conf-search-SYBYL-default28-aVTZ.log
Cost-effective Implementation of Multi-Conformer Transition State Theory for Peroxy Radical Hydrogen Shift Reactions/wB97X-D aug-cc-pVTZ log-files/Reactant/Conf-search-SYBYL-default01-aVTZ.log
Cost-effective Implementation of Multi-Conformer Transition State Theory for Peroxy Radical Hydrogen Shift Reactions/wB97X-D aug-cc-pVTZ log-files/Reactant/Conf-search-SYBYL-default09-aVTZ.log
Cost-effective Implementation of Multi-Conformer Transition State Theory for Peroxy Radical Hydrogen Shift Reactions/wB97X-D aug-cc-pVTZ log-files/Reactant/Conf-search-SYBYL-default06-aVTZ.log
Cost-effective Implementation of Multi-Conformer Transition State Theory for Peroxy Radical Hydrogen Shift Reactions/wB97X-D aug-cc-pVTZ log-files/Reactant/Conf-search-SYBYL-default04-aVTZ.log
Cost-effective Implementation of Multi-Conformer Transition State Theory for Peroxy Radical Hydrogen Shift Reactions/wB97X-D aug-cc-pVTZ log-files/Reactant/Conf-search-SYBYL-default45-aVTZ.log
Cost-effective Implementation of Multi-Conformer Transition State Theory for Peroxy Radical Hydrogen Shift Reactions/wB97X-D aug-cc-pVTZ log-files/Reactant/Conf-search-SYBYL-default31-aVTZ.log
Cost-effective Implementation of Multi-Conformer Transition State Theory for Peroxy Radical Hydrogen Shift Reactions/wB97X-D aug-cc-pVTZ log-files/Reactant/Conf-search-SYBYL-default15-aVTZ.log
Cost-effective Implementation of Multi-Conformer Transition State Theory for Peroxy Radical Hydrogen Shift Reactions/wB97X-D aug-cc-pVTZ log-files/Reactant/Conf-search-SYBYL-default07-aVTZ-new.log
Cost-effective Implementation of Multi-Conformer Transition State Theory for Peroxy Radical Hydrogen Shift Reactions/wB97X-D aug-cc-pVTZ log-files/Reactant/Conf-search-SYBYL-default39-aVTZ.log
Cost-effective Implementation of Multi-Conformer Transition State Theory for Peroxy Radical Hydrogen Shift Reactions/wB97X-D aug-cc-pVTZ log-files/Reactant/Conf-search-SYBYL-default03-aVTZ.log
Cost-effective Implementation of Multi-Conformer Transition State Theory for Peroxy Radical Hydrogen Shift Reactions/wB97X-D aug-cc-pVTZ log-files/Reactant/Conf-search-SYBYL-default14-aVTZ.log
Cost-effective Implementation of Multi-Conformer Transition State Theory for Peroxy Radical Hydrogen Shift Reactions/wB97X-D aug-cc-pVTZ log-files/Reactant/Conf-search-SYBYL-default18-aVTZ.log
Cost-effective Implementation of Multi-Conformer Transition State Theory for Peroxy Radical Hydrogen Shift Reactions/wB97X-D aug-cc-pVTZ log-files/Reactant/Conf-search-SYBYL-default27-aVTZ-new.log
Cost-effective Implementation of Multi-Conformer Transition State Theory for Peroxy Radical Hydrogen Shift Reactions/wB97X-D aug-cc-pVTZ log-files/Reactant/Conf-search-SYBYL-default24-aVTZ.log
Cost-effective Implementation of Multi-Conformer Transition State Theory for Peroxy Radical Hydrogen Shift Reactions/wB97X-D aug-cc-pVTZ log-files/Reactant/Conf-search-SYBYL-default23-aVTZ.log
Cost-effective Implementation of Multi-Conformer Transition State Theory for Peroxy Radical Hydrogen Shift Reactions/wB97X-D aug-cc-pVTZ log-files/Transition State/MMFF-default-1-high-level-3.log
Cost-effective Implementation of Multi-Conformer Transition State Theory for Peroxy Radical Hydrogen Shift Reactions/wB97X-D aug-cc-pVTZ log-files/Transition State/MMFF-default-1-1-high-level.log
Cost-effective Implementation of Multi-Conformer Transition State Theory for Peroxy Radical Hydrogen Shift Reactions/wB97X-D aug-cc-pVTZ log-files/Transition State/MMFF-default-2-2-high-level.log
Cost-effective Implementation of Multi-Conformer Transition State Theory for Peroxy Radical Hydrogen Shift Reactions/wB97X-D aug-cc-pVTZ log-files/Transition State/MMFF-default-2-high-level-3.log
Cost-effective Implementation of Multi-Conformer Transition State Theory for Peroxy Radical Hydrogen Shift Reactions/wB97X-D aug-cc-pVTZ log-files/Product/List-240-p35-avtz.log
Cost-effective Implementation of Multi-Conformer Transition State Theory for Peroxy Radical Hydrogen Shift Reactions/wB97X-D aug-cc-pVTZ log-files/Product/List-0-p15-avtz.log
Cost-effective Implementation of Multi-Conformer Transition State Theory for Peroxy Radical Hydrogen Shift Reactions/wB97X-D aug-cc-pVTZ log-files/Product/List-0-p50-avtz-new.log
Cost-effective Implementation of Multi-Conformer Transition State Theory for Peroxy Radical Hydrogen Shift Reactions/wB97X-D aug-cc-pVTZ log-files/Product/List-0-p29-avtz.log
Cost-effective Implementation of Multi-Conformer Transition State Theory for Peroxy Radical Hydrogen Shift Reactions/wB97X-D aug-cc-pVTZ log-files/Product/List-0-p13-avtz.log
Cost-effective Implementation of Multi-Conformer Transition State Theory for Peroxy Radical Hydrogen Shift Reactions/wB97X-D aug-cc-pVTZ log-files/Product/List-120-p21-avtz.log
Cost-effective Implementation of Multi-Conformer Transition State Theory for Peroxy Radical Hydrogen Shift Reactions/wB97X-D aug-cc-pVTZ log-files/Product/List-120-p81-avtz.log
Cost-effective Implementation of Multi-Conformer Transition State Theory for Peroxy Radical Hydrogen Shift Reactions/wB97X-D aug-cc-pVTZ log-files/Product/List-120-p40-avtz.log
Cost-effective Implementation of Multi-Conformer Transition State Theory for Peroxy Radical Hydrogen Shift Reactions/wB97X-D aug-cc-pVTZ log-files/Product/List-0-p40-avtz.log
Cost-effective Implementation of Multi-Conformer Transition State Theory for Peroxy Radical Hydrogen Shift Reactions/wB97X-D aug-cc-pVTZ log-files/Product/List-240-p55-avtz.log
Cost-effective Implementation of Multi-Conformer Transition State Theory for Peroxy Radical Hydrogen Shift Reactions/wB97X-D aug-cc-pVTZ log-files/Product/List-240-p70-new-avtz.log
Cost-effective Implementation of Multi-Conformer Transition State Theory for Peroxy Radical Hydrogen Shift Reactions/wB97X-D aug-cc-pVTZ log-files/Product/List-240-p50-avtz.log
Cost-effective Implementation of Multi-Conformer Transition State Theory for Peroxy Radical Hydrogen Shift Reactions/wB97X-D aug-cc-pVTZ log-files/Product/List-120-p20-avtz.log
Cost-effective Implementation of Multi-Conformer Transition State Theory for Peroxy Radical Hydrogen Shift Reactions/wB97X-D aug-cc-pVTZ log-files/Product/List-120-p32-avtz.log
Cost-effective Implementation of Multi-Conformer Transition State Theory for Peroxy Radical Hydrogen Shift Reactions/wB97X-D aug-cc-pVTZ log-files/Product/List-120-p52-avtz.log
Cost-effective Implementation of Multi-Conformer Transition State Theory for Peroxy Radical Hydrogen Shift Reactions/wB97X-D aug-cc-pVTZ log-files/Product/List-0-p28-avtz.log
Cost-effective Implementation of Multi-Conformer Transition State Theory for Peroxy Radical Hydrogen Shift Reactions/wB97X-D aug-cc-pVTZ log-files/Product/List-120-p44-avtz.log
Cost-effective Implementation of Multi-Conformer Transition State Theory for Peroxy Radical Hydrogen Shift Reactions/wB97X-D aug-cc-pVTZ log-files/Product/Conf-search-SYBYL-default74-aVTZ-wb-dir.log
Cost-effective Implementation of Multi-Conformer Transition State Theory for Peroxy Radical Hydrogen Shift Reactions/wB97X-D aug-cc-pVTZ log-files/Product/List-0-p12-avtz.log
Cost-effective Implementation of Multi-Conformer Transition State Theory for Peroxy Radical Hydrogen Shift Reactions/wB97X-D aug-cc-pVTZ log-files/Product/List-240-p36-avtz.log
Cost-effective Implementation of Multi-Conformer Transition State Theory for Peroxy Radical Hydrogen Shift Reactions/wB97X-D aug-cc-pVTZ log-files/Product/List-240-p34-avtz.log
Cost-effective Implementation of Multi-Conformer Transition State Theory for Peroxy Radical Hydrogen Shift Reactions/wB97X-D aug-cc-pVTZ log-files/Product/List-240-p18-avtz.log
Cost-effective Implementation of Multi-Conformer Transition State Theory for Peroxy Radical Hydrogen Shift Reactions/wB97X-D aug-cc-pVTZ log-files/Product/List-0-p74-avtz.log
Cost-effective Implementation of Multi-Conformer Transition State Theory for Peroxy Radical Hydrogen Shift Reactions/wB97X-D aug-cc-pVTZ log-files/Product/List-120-p47-avtz.log
Cost-effective Implementation of Multi-Conformer Transition State Theory for Peroxy Radical Hydrogen Shift Reactions/wB97X-D aug-cc-pVTZ log-files/Product/List-240-p11-avtz.log
Cost-effective Implementation of Multi-Conformer Transition State Theory for Peroxy Radical Hydrogen Shift Reactions/wB97X-D aug-cc-pVTZ log-files/Product/List-120-p51-avtz.log
Cost-effective Implementation of Multi-Conformer Transition State Theory for Peroxy Radical Hydrogen Shift Reactions/wB97X-D aug-cc-pVTZ log-files/Product/List-0-p76-avtz.log
Cost-effective Implementation of Multi-Conformer Transition State Theory for Peroxy Radical Hydrogen Shift Reactions/wB97X-D aug-cc-pVTZ log-files/Product/List-120-p04-avtz-new.log
Cost-effective Implementation of Multi-Conformer Transition State Theory for Peroxy Radical Hydrogen Shift Reactions/wB97X-D aug-cc-pVTZ log-files/Product/List-120-p76-avtz.log
Cost-effective Implementation of Multi-Conformer Transition State Theory for Peroxy Radical Hydrogen Shift Reactions/wB97X-D aug-cc-pVTZ log-files/Product/B3LYP-6-31+gd-opt-solved-p48-aVTZ.log
Cost-effective Implementation of Multi-Conformer Transition State Theory for Peroxy Radical Hydrogen Shift Reactions/wB97X-D aug-cc-pVTZ log-files/Product/List-0-p23-avtz.log
Cost-effective Implementation of Multi-Conformer Transition State Theory for Peroxy Radical Hydrogen Shift Reactions/wB97X-D aug-cc-pVTZ log-files/Product/List-0-p32-avtz.log
Cost-effective Implementation of Multi-Conformer Transition State Theory for Peroxy Radical Hydrogen Shift Reactions/wB97X-D aug-cc-pVTZ log-files/Product/List-240-p32-avtz.log
Cost-effective Implementation of Multi-Conformer Transition State Theory for Peroxy Radical Hydrogen Shift Reactions/wB97X-D aug-cc-pVTZ log-files/Product/List-120-p43-avtz.log
Cost-effective Implementation of Multi-Conformer Transition State Theory for Peroxy Radical Hydrogen Shift Reactions/wB97X-D aug-cc-pVTZ log-files/Product/List-120-p34-avtz.log
Cost-effective Implementation of Multi-Conformer Transition State Theory for Peroxy Radical Hydrogen Shift Reactions/wB97X-D aug-cc-pVTZ log-files/Product/List-120-p37-avtz-new.log
Cost-effective Implementation of Multi-Conformer Transition State Theory for Peroxy Radical Hydrogen Shift Reactions/wB97X-D aug-cc-pVTZ log-files/Product/List-120-p24-avtz.log
Cost-effective Implementation of Multi-Conformer Transition State Theory for Peroxy Radical Hydrogen Shift Reactions/wB97X-D aug-cc-pVTZ log-files/Product/List-120-p28-avtz.log
Cost-effective Implementation of Multi-Conformer Transition State Theory for Peroxy Radical Hydrogen Shift Reactions/wB97X-D aug-cc-pVTZ log-files/Product/List-240-p41-avtz.log
Cost-effective Implementation of Multi-Conformer Transition State Theory for Peroxy Radical Hydrogen Shift Reactions/wB97X-D aug-cc-pVTZ log-files/Product/List-240-p51-avtz.log
Cost-effective Implementation of Multi-Conformer Transition State Theory for Peroxy Radical Hydrogen Shift Reactions/wB97X-D aug-cc-pVTZ log-files/Product/List-0-p01-avtz.log
Cost-effective Implementation of Multi-Conformer Transition State Theory for Peroxy Radical Hydrogen Shift Reactions/wB97X-D aug-cc-pVTZ log-files/Product/List-120-p33-avtz-new.log
Cost-effective Implementation of Multi-Conformer Transition State Theory for Peroxy Radical Hydrogen Shift Reactions/wB97X-D aug-cc-pVTZ log-files/Product/List-240-p21-avtz.log
Cost-effective Implementation of Multi-Conformer Transition State Theory for Peroxy Radical Hydrogen Shift Reactions/wB97X-D aug-cc-pVTZ log-files/Product/List-240-p49-avtz.log
Cost-effective Implementation of Multi-Conformer Transition State Theory for Peroxy Radical Hydrogen Shift Reactions/wB97X-D aug-cc-pVTZ log-files/Product/List-0-p11-avtz.log
Cost-effective Implementation of Multi-Conformer Transition State Theory for Peroxy Radical Hydrogen Shift Reactions/wB97X-D aug-cc-pVTZ log-files/Product/List-240-p38-avtz.log
Cost-effective Implementation of Multi-Conformer Transition State Theory for Peroxy Radical Hydrogen Shift Reactions/wB97X-D aug-cc-pVTZ log-files/Product/List-240-p68-avtz.log
Cost-effective Implementation of Multi-Conformer Transition State Theory for Peroxy Radical Hydrogen Shift Reactions/wB97X-D aug-cc-pVTZ log-files/Product/List-120-p23-avtz.log
Cost-effective Implementation of Multi-Conformer Transition State Theory for Peroxy Radical Hydrogen Shift Reactions/wB97X-D aug-cc-pVTZ log-files/Product/List-0-p45-avtz.log
Cost-effective Implementation of Multi-Conformer Transition State Theory for Peroxy Radical Hydrogen Shift Reactions/wB97X-D aug-cc-pVTZ log-files/Product/List-0-p33-avtz.log
Cost-effective Implementation of Multi-Conformer Transition State Theory for Peroxy Radical Hydrogen Shift Reactions/wB97X-D aug-cc-pVTZ log-files/Product/List-120-p15-avtz.log
Cost-effective Implementation of Multi-Conformer Transition State Theory for Peroxy Radical Hydrogen Shift Reactions/wB97X-D aug-cc-pVTZ log-files/Product/List-0-p36-avtz.log
Cost-effective Implementation of Multi-Conformer Transition State Theory for Peroxy Radical Hydrogen Shift Reactions/wB97X-D aug-cc-pVTZ log-files/Product/List-0-p06-avtz.log
Cost-effective Implementation of Multi-Conformer Transition State Theory for Peroxy Radical Hydrogen Shift Reactions/wB97X-D aug-cc-pVTZ log-files/Product/List-0-p69-new-avtz.log
Cost-effective Implementation of Multi-Conformer Transition State Theory for Peroxy Radical Hydrogen Shift Reactions/wB97X-D aug-cc-pVTZ log-files/Product/List-120-p55-avtz.log
Cost-effective Implementation of Multi-Conformer Transition State Theory for Peroxy Radical Hydrogen Shift Reactions/wB97X-D aug-cc-pVTZ log-files/Product/List-0-p08-avtz.log
Cost-effective Implementation of Multi-Conformer Transition State Theory for Peroxy Radical Hydrogen Shift Reactions/wB97X-D aug-cc-pVTZ log-files/Product/Conf-search-SYBYL-default25-aVTZ-wb-dir.log
Cost-effective Implementation of Multi-Conformer Transition State Theory for Peroxy Radical Hydrogen Shift Reactions/wB97X-D aug-cc-pVTZ log-files/Product/List-120-p68-avtz.log
Cost-effective Implementation of Multi-Conformer Transition State Theory for Peroxy Radical Hydrogen Shift Reactions/wB97X-D aug-cc-pVTZ log-files/Product/List-120-p41-avtz.log
Cost-effective Implementation of Multi-Conformer Transition State Theory for Peroxy Radical Hydrogen Shift Reactions/wB97X-D aug-cc-pVTZ log-files/Product/List-0-p52-avtz.log
Cost-effective Implementation of Multi-Conformer Transition State Theory for Peroxy Radical Hydrogen Shift Reactions/wB97X-D aug-cc-pVTZ log-files/Product/List-120-p65-avtz.log
Cost-effective Implementation of Multi-Conformer Transition State Theory for Peroxy Radical Hydrogen Shift Reactions/wB97X-D aug-cc-pVTZ log-files/Product/List-120-p50-avtz.log
Cost-effective Implementation of Multi-Conformer Transition State Theory for Peroxy Radical Hydrogen Shift Reactions/wB97X-D aug-cc-pVTZ log-files/Product/List-0-p63-avtz.log
Cost-effective Implementation of Multi-Conformer Transition State Theory for Peroxy Radical Hydrogen Shift Reactions/wB97X-D aug-cc-pVTZ log-files/Product/List-120-p67-avtz.log
Cost-effective Implementation of Multi-Conformer Transition State Theory for Peroxy Radical Hydrogen Shift Reactions/wB97X-D aug-cc-pVTZ log-files/Product/List-0-p47-avtz.log
Cost-effective Implementation of Multi-Conformer Transition State Theory for Peroxy Radical Hydrogen Shift Reactions/wB97X-D aug-cc-pVTZ log-files/Product/List-120-p66-avtz-new.log
Cost-effective Implementation of Multi-Conformer Transition State Theory for Peroxy Radical Hydrogen Shift Reactions/wB97X-D aug-cc-pVTZ log-files/Product/List-120-p45-avtz.log
Cost-effective Implementation of Multi-Conformer Transition State Theory for Peroxy Radical Hydrogen Shift Reactions/wB97X-D aug-cc-pVTZ log-files/Product/List-0-p05-avtz.log
Cost-effective Implementation of Multi-Conformer Transition State Theory for Peroxy Radical Hydrogen Shift Reactions/wB97X-D aug-cc-pVTZ log-files/Product/List-120-p25-avtz.log
Cost-effective Implementation of Multi-Conformer Transition State Theory for Peroxy Radical Hydrogen Shift Reactions/wB97X-D aug-cc-pVTZ log-files/Product/Conf-search-SYBYL-default14-aVTZ.log
Cost-effective Implementation of Multi-Conformer Transition State Theory for Peroxy Radical Hydrogen Shift Reactions/wB97X-D aug-cc-pVTZ log-files/Product/List-0-p24-avtz.log
Cost-effective Implementation of Multi-Conformer Transition State Theory for Peroxy Radical Hydrogen Shift Reactions/wB97X-D aug-cc-pVTZ log-files/Product/List-120-p16-avtz.log
Cost-effective Implementation of Multi-Conformer Transition State Theory for Peroxy Radical Hydrogen Shift Reactions/wB97X-D aug-cc-pVTZ log-files/Product/List-240-p19-avtz.log
Cost-effective Implementation of Multi-Conformer Transition State Theory for Peroxy Radical Hydrogen Shift Reactions/wB97X-D aug-cc-pVTZ log-files/Product/List-0-p44-avtz.log
Cost-effective Implementation of Multi-Conformer Transition State Theory for Peroxy Radical Hydrogen Shift Reactions/wB97X-D aug-cc-pVTZ log-files/Product/List-0-p41-avtz.log
Cost-effective Implementation of Multi-Conformer Transition State Theory for Peroxy Radical Hydrogen Shift Reactions/wB97X-D aug-cc-pVTZ log-files/Product/List-0-p04-avtz.log
Cost-effective Implementation of Multi-Conformer Transition State Theory for Peroxy Radical Hydrogen Shift Reactions/wB97X-D aug-cc-pVTZ log-files/Product/List-0-p68-avtz.log
Cost-effective Implementation of Multi-Conformer Transition State Theory for Peroxy Radical Hydrogen Shift Reactions/wB97X-D aug-cc-pVTZ log-files/Product/List-0-p21-avtz.log
Cost-effective Implementation of Multi-Conformer Transition State Theory for Peroxy Radical Hydrogen Shift Reactions/wB97X-D aug-cc-pVTZ log-files/Product/List-0-p39-avtz.log