Physical Chemistry Tutorial

JPhysChem - a mathematical modeling toolbox designed to provide an abstract layer and a comprehensive graphical front-end for general model building and specific modeling and data processing in the field of mass spectrometry and physical chemistry.

This is a complete set of MATLAB codes for calculating effective Pitzer inertias for large amplitude torsions. Specific examples included in the zip file were taken from the publication by Bryan M. Wong, Ryan L. Thom, and Robert W. Field in The Journal of Physical Chemistry A 110, 7406 - 7413...

The three-variable autocatalator is a prototype of complex dynamical behavior. Indeed, period doubling and chaos are found when the bifurcation parameter, nu, is varied between 0.10 and 0.20.The autocatalator's steps are the following:P->AP+C->A+CA->BA+2 B->3 BB->CC->DWhere P is a chemical...


Platforms: Matlab

This is a suite of MATLAB codes to calculate effective Eckart inertias for large amplitude torsions published by Bryan M. Wong, Ryan L. Thom, and Robert W. Field in The Journal of Physical Chemistry A 110, 7406 - 7413 (2006). The Eckart inertias are obtained by solving a system of transcendental...


Platforms: Matlab

Tkx::Tutorial Perl module contains a tutorial about how to use Tkx. Tk is a toolkit that allows you to create applications with graphical interfaces for Windows, Mac OS X and X11. The Tk toolkit is native to the Tcl programming language, but its ease of use and cross-platform availability has...


Platforms: *nix

Template::Tutorial::Web is a Perl module for generating web content using the template toolkit. This tutorial document provides a introduction to the Template Toolkit and demonstrates some of the typical ways it may be used for generating web content. It covers the generation of static pages...


Platforms: *nix

Template::Tutorial are template toolkit tutorials. This section includes tutorials on using the Template Toolkit. Subjects currently include an general overview of the Template Toolkit, showing users how to get quickly up to speed building web content, and a tutorial on generating and using...


Platforms: *nix

Chemistry::SQL is an access database functions module. SYNOPSIS use strict; use Chemistry::SQL; use Chemistry::Artificial::SQL; my $db_name = $ARGV[0]; my $file = $ARGV[1]; my $db1 = Chemistry::SQL::new(db_host=>"127.0.0.1",db_user=>"root",db_port=>"3306",db_pwd=>"",...


Platforms: *nix

Chemistry::Artificial::Graphics is a graphic plot for artificial with database support. SYNOPSIS use strict; use Chemistry::SQL; use Chemistry::Artificial::Graphics; my $dbname = $ARGV[0]; my $chaname = $ARGV[1]; my $file = $ARGV[2]; my $mode = $ARGV[3]; if (scalar(@ARGV)!=4) {...


Platforms: *nix

Array::Each::Tutorial - POD giving various examples how to use Array::Each. SYNOPSIS man Array::Each man Array::Each::Tutorial or perldoc Array::Each perldoc Array::Each::Tutorial Overview This tutorial contains only POD, so dont do this: use Array::Each::Tutorial; # dont do this...


Platforms: *nix

Test::Unit::Tutorial is a Perl module that contains a tutorial on unit testing. SYNOPSIS perldoc Test::Unit::Tutorial Here should be extensive documentation on what unit testing is, why it is useful, and how to do it with the Test::Unit collection of modules. Sorry for not implementing...


Platforms: *nix

Chatbot::Alpha::Tutorial is a beginners guide to Chatbot::Alpha 2.x. INTRODUCTION What is Chatbot::Alpha? Chatbot::Alpha is a Perl module for reading and processing Alpha code. Alpha code is a command-driven response language, primarily used for chatterbots. The language format is quite...


Platforms: *nix

OpenInteract2::Manual::Tutorial is a Perl module that will teach learn you how to create and modify a package. SYNOPSIS This tutorial will show you the different methods for creating a package and how to maintain them. CREATING THE PACKAGE A word on the example For our example were...


Platforms: *nix

Net::DBus::Tutorial::ExportingObjects is a Perl module that contains tutorials on providing a DBus service. This document provides a tutorial on providing a DBus service using the Perl Net::DBus application bindings. This examples in this document will be based on the code from the...


Platforms: *nix

Template::Tutorial::Datafile is a Perl module for creating Data Output Files Using the Template Toolkit. This tutorial gives an overview of the Template Toolkit, showing in particular how to use it to read and write data files in various different formats and styles. It was written by Dave...


Platforms: *nix

yagg::Tutorial is a Perl module that contains a tutorial for yagg. SYNOPSIS # To use the generator ./yagg -m nonterminals.yg terminals.lg ./output/progs/generate 5 This tutorial will show you how to use yagg, by way of two examples. In the first example, we create a simple logical...


Platforms: *nix

Catalyst::Manual::Tutorial::AdvancedCRUD is a Catalyst Tutorial - Part 8: Advanced CRUD. Add a Form Creation Helper Method Open lib/MyApp/Controller/Books.pm in your editor and add the following method: =head2 make_book_widget Build an HTML::Widget form for book creation and updates...


Platforms: *nix

XML::Smart::Tutorial is a Perl module with tutorials and examples for XML::Smart. SYNOPSIS This document is a tutorial for XML::Smart and shows some examples of usual things..


Platforms: *nix

DateTime::Format::Builder::Tutorial is a quick class on using Builder. CREATING A CLASS As most people who are writing modules know, you start a package with a package declaration and some indication of module version: package DateTime::Format::ICal; our $VERSION = 0.04; After that, you...


Platforms: *nix

Chemistry::Mol is a molecule object toolkit. SYNOPSIS use Chemistry::Mol; $mol = Chemistry::Mol->new(id => "mol_id", name => "my molecule"); $c = $mol->new_atom(symbol => "C", coords => [0,0,0]); $o = $mol->new_atom(symbol => "O", coords => [0,0,1.23]); $mol->new_bond(atoms => [$c, $o],...


Platforms: *nix