GUI

Remarkably accurate experimental results have been obtained, also by Kistia-kowsky (Conant and Kistiakowsky, 1937), which permit indirect calculation of the enthalpy change of this isomerization AThe enthalpy diagram for isomcn/atioii of 2-butciic is given in Fig. 5-.5. We shall use TINKER and PCMODEL U) (ind the length of each arrow in Fig. 5-5. We shall also use the PCMODEL GUI. a powerful tool for tile construetion. 

Note that this exercise refers to the standard MOPAC implementation, which does not have a graphical user interface (gui). 

Find the ground-state energy and the equilibrium bond distanee (length) for the hydrogen moleeule II with the Arguslab implementation of MOPAC (arf usilab.com) and the AMI Hamiltonian, The Ar us ab implementation of MOPAC has a gui. 

Use ) gui to produce the cis and i/rms forms of decalin. Run a PM.f calculation of the energies of these two forms. What is the cis-lmns isomerization energy as calculated by PMIT ... 

UniChem (we tested Version 4.1) is a graphic interface made for running calculations on remote machines. The UniChem GUI runs on the local workstation and submits the computations to be run on a remote machine. The server software comes with MNDO, DGauss, and CADPAC. It can also be used as a graphic interface for Gaussian and Q-Chem. A toolkit can be purchased separately, which allows users to create an interface to their own programs. 

Once the job is completed, the UniChem GUI can be used to visualize results. It can be used to visualize common three-dimensional properties, such as electron density, orbital densities, electrostatic potentials, and spin density. It supports both the visualization of three-dimensional surfaces and colorized or contoured two-dimensional planes. There is a lot of control over colors, rendering quality, and the like. The final image can be printed or saved in several file formats. 

GaussView (we used Version 2.08) is a graphic interface for use with the Gaussian ah initio program. It can be used to build molecules, set up the options in the input hie, run a calculation, and display results. GaussView uses the molecule builder that was written by SemiChem, but has screens for setting up calculations that are different from those in the AMPAC GUI sold by SemiChem. 

Particularly reasonably priced explosion isolation of systems involves the use of a relief pipe with which the flow direction can be diverted by 180°. It prevents flame jet ignition with precompression in constructionally protected equipment. If suction is present, explosion propagation can occur. To prevent this, the use of an additional extin-gui ing barrier or a rapid-action gate valve is necessary. If a diverter is installed where positive pressure feed is given, then the diverter is, in general, safe against an explosion propagation. 

Graphic User Interface (GUI)—This consists of screens, which would enable the operator to easily interrogate the system and to visually see where the instruments are installed and their values at any point of time. By carefully designed screens, the operator will be able to view at a glance the relative positions of all values, thus, fully understanding the operation of the machinery. 

SIMULINK The Control System Toolbox does not possess a ramp eommand, but the ramp response of a first-order system (Example 3.6, Figure 3.15) ean be obtained using SIMULINK, whieh is an easy to use Graphieal User Interfaee (GUI). SIMULINK allows a bloek diagram representation of a eontrol system to be eonstrueted and real-time simulations performed. 

Asociacion Nacional de Quimicos de Espana (ANQUE) Apartado de coitcos 6049 47080 Valladolid, Spain E-mail polyfemo luna.gui.uva.es Web site www.gui.uva.es... 

Recent developments in the studies of titanium and vanadium porphyrins with special emphasis on oxygen adducts, low valent metalloporphyrins and related systems of sulphur and selenium. R. Gui-lard and C. Lecomte, Coord. Chem. Rev., 1985, 65, 87 (76). 

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