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ChemShell User Manual. About this Manual. This document relates to version 3.7 of Tcl ChemShell, which is the current stable release. Documentation of
This page guides you through a series of input scripts for ChemShell. it is recommended that you find the appropriate section of the manual, available online.
2012-05-02 03:05:10, [Chemsh-commits] r3893 - in trunk/doc: manual tutorialtutorial/samples/dl-find_hdlctutorial/samples/dl-find_ts_prfo
In these simple examples we will set up the force fields manually using ChemShell's native input format. In later tutorials we will show how more complex
The Chemshell Manual can be found at the following website: www.cse.scitech.ac.uk/ccg/software/chemshell/manual/. Instructions on the use of Molpro are
ChemShell is a computational chemistry environment for multiscale modelling, based on the Tcl interpreter. While it supports standard quantum chemical or
The current ORCA interface in Chemshell is documented on: www.cse.scitech.ac.uk/ccg/software/chemshell/manual/orca.html. When using ORCA with
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