The Title Section

This section of the input file consists of one or more lines describing the calculation in any way that the user desires. It often consists of just one line, and the section ends with a blank line. 

---

These items form the route section, the title section, and the molecule specification section of the input file, respectively. We ll look at each of them again briefly as we set up an input file for an energy calculation on formaldehyde. 

Separates the route section from the title section. 

The title section consists of one or more lines of descriptive information about the job. It is included in the output and in the archive entry but is not otherwise used by Gaussian. This section is terminated by a blank line. 

This new line forms the title section for the job, which provides a description of the calculation for the job output and archive entry. It is not otherwise used by the program. 

Enter another blank line after the title section, followed by these four lines ... 

The title section of a Gaussian input file contains a brief (usually one-line) description of the job. Enter something like the following into this section ... 

The Title section reveals the revision history of this AMS, the type of alloy, highlights of the material characteristics, nominal composition, and heat... 

For the detailed contents of any section, consult the title page of that section. See also the alphabetical index in the back of the handbook. 

The author rated the tower and then used the GPSA nomograph in the previous section titled Performance to determine the next summer s maximum cold water temperature. When the author proudly presented the results the operation people, of course, then asked, Will the plant run at necessary production at your calculated cold water temperature ... 

The title of this section is taken from the title of another essay by Kingery, one of the most eloquent and expert proponents of the central role of ceramics in MSE (for a sketch of his educational innovations, see Section 1.1.1). The essay is in a book series entitled Ceramics and Civilization (Kingery 1990). 

The second section covers Treliminary List of Computer Applications and Systems of Potential Use Under SARA Title III" and contains a list of computer systems applicable to local planning. The list is not anticipated to be fully comprehensive of the environmental computer systems market nor is it intended to act as an endorsement for any of the listed systems. The list is only intended to serve an initial reference source. Vendor names, addresses, and phone numbers have been provided it is essential that the vendor be contacted to obtain current cost capability, availability, and limitation information for any system of interest. 

To do this go to FTAPSUIT (refer to j Section 6.4.2. Go to the FTAPSUIT main 3 menu and select 1 to go to FTAPlus to input the data. The first selection is the title, the second is the file name (use "pv" for this... 

Although the title of this clause refers to subcontractors, this term is not used in ISO 9001 in the traditional sense of organizations supplying products or service to customer specifications. It is used in ISO 9001 to refer to any organization that supplies products or services to a customer whether to their own specification or a customer specification. For consistency therefore, the term subcontractor in this section has no special meaning. 

The 7a-bromo-5a-6-ketone (56) is conveniently prepared from a mixture of the 5a- and 5j5-6-ketones (55) under equilibrating conditions. It is formed from the 5a-isomer (55) via the 5a-bromo-compound, and from the 5j -isomer (55) via the 7a-bromo-5i -6-ketone (see section II-A). Dehydrobromination is effected in DMF, and chromatography of the crude product separates the title compound (58) from remaining starting material and isomeric A -6-ketone (57). ... 

During the past seven years and particularly during 1966 and 1967 several syntheses of enamines utilizing compounds of the elements given in the title of this section have been developed. 

The remaining Sections e.xainine tluce important topics as tliey relate to the subject title of tliis book. Section 2.7 reviews the details of the U.S. Environmental Protection Agency s (USEPA s) Risk Management Program while Section 2.8 provides information on the Occupational Health and Safety Administration (OSHA). The chapter continues with a short Section (2.9) on potential environmental violations and then concludes with a Section (2.10) on tlic Pollution Prevention Act of 1990. 

The reader should note that tlie introductory comments in tine similarly titled subsections of the previous section applies to carcinogens as well. The calculation proceeds as follows. First, smn tlie cancer risks for each exposure patliway contributing to exposure of the same individual or subpopulation. For Superfimd risk assessments, cancer risks from various exposure patliways are assumed to be additive, as long as tlie risks are for tlie same individuals and time period (i.e., less-tlian-lifetime e.xposures have all been converted to equivalent lifetime exposures). Tliis smnmation procedure is described below ... 

Route section for the first job step Title section for the first jobstep Molecule specification section End of Z-matrix... 

Title section for the second job step Input continues... 

Move the cursor to the third section of the window, labelled Title section. 

The route section, title section, and molecule specification from the input file are displayed next. 

From a practical point of view, literature data indicate that it is not necessary in most cases to isolate the title salts prior to their reaction. Tliis can be readily understood since their preparation is nearly quantitative and sulfur dioxide is the sole product evolved during their formation. In fact, it is highly advisable to recourse to a two-step procedure during the reactions between A -(l-chloroalkyl)pyridinium chlorides and amino acids (Section IV,C,6) (97BSB383). 

In many ways, the title of this section is the central question that those with a predilection for toying with fundamental issues eventually find themselves asking. It is also a question that (not unlike the problem of formulating a legitimate - or even an allowable - question about what is really going on in quantum mechanics), must be asked correctly. It is not enough merely to rusk the que.stion in its simplest form. We must first of all be sure of what we are asking. 

The three specific topics explicitly mentioned in the title of Pdlyh s paper, namely Groups, Graphs, and Chemical Compounds, each has a section to itself following the Introduction. A fourth section, equally important, deals with the determination of asymptotic results... 

Maximization, Minimization, and Minmax.—We shall discuss three wide classes of optimization problems that illustrate the ideas of the title of this section as used in operations research. They are ... 

Although not strictly related to the title of this section, the methyl-de-diazoniation of arenediazonium salts using tetramethylstannane, catalyzed by palladium diacetate, may also be mentioned here (Kikukawa et al., 1983). 

---