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GAMES S is a program for ab initio molecular quantum chemistiy which can compute self-consistent field (SCF) wave functions ranging from restricted Hartree-Fock (RHF), ROHF, UHF, GVB, and MCSCF [47], Computation of the Hessian energy permits prediction of vibrational frequencies with IR or Raman intensities. Solvent effects may be modeled by the discrete Effective Fragment potentials or continuum models such as the polarizable continuum model [48]. Numerous relativistic computations are available, including infinite order two component scalar corrections, with various spin-orbit coupling options [49]. [Pg.385]


Companies reported using an average of two or three different methodologies for both major and minor incidents. The surveyed companies used both public domain and proprietary tools and methodologies. [Pg.46]

The following is an analysis of one of these causal factors contractor operator (CO) falls asleep. The basic technique works with any of the predefined trees commonly used within the process industry. However, for the purposes of this example, a proprietary tool C) has been selected, and therefore the structure of the tree and the terminology used is specific to that tree. [Pg.238]

In many non-ink applications of ink-jet printing technology, the printing system is viewed as a proprietary tool used to manufacture a high value added product, and part of the value usually includes the intellectual property associated with the ink-jet-based fabrication method. Thus, the availability of commercial ink-jet-based fuel cell equipment is limited compared to level of activity in applying ink-jet technology to printing fuel cells. [Pg.231]

The retrofit methodology (Zhu and Martindale, 2007) was adopted and UOP proprietary tools were applied to identify ways to shift bottlenecks from expensive to cheaper equipment. First, by adding two exchangers in the feed preheat circuit before the main fractionation feed heater, the feed preheat was increased by 20% and thus the need for retrofitting the existing feed heater was avoided, which could be very expensive. [Pg.477]

Do we have the creative climate, tools, and resources conducive to the creation of inventions Do we recognize the importance of a proprietary position Have we developed a patent strategy ... [Pg.129]

Machining costs (labor and overhead) in the United States have an estimated value of > 300 x 10 /yr. The cost of labor and overhead for machining is based on the estimated number of total metal-cutting machine tools in various metal-cutting industries (1). This value does not take into account the cost of raw stock (work material), cutting tools, and many other support faciUties. An estimated breakdown of cutting tool costs is given in Table 13 (172). Because of the competitive nature of these industries, most prefer to keep cost information proprietary. [Pg.220]

This process uses a moving laser beam, directed by a computer, to prepare the model. The model is made up of layers having thicknesses about 0.005-0.020 in. (0.012-0.50 mm) that are polymerized into a solid product. Advanced techniques also provides fast manufacturing of precision molds (152). An example is the MIT three-dimensional printing (3DP) in which a 3-D metal mold (die, etc.) is created layer by layer using powdered metal (300- or 400-series stainless steel, tool steel, bronze, nickel alloys, titanium, etc.). Each layer is inkjet-printed with a plastic binder. The print head generates and deposits micron-sized droplets of a proprietary water-based plastic that binds the powder together. [Pg.179]

Example 11.7 hints at the complications that are possible in reactive gas absorption. Gas absorption is an important unit operation that has been the subject of extensive research and development. Large, proprietary computer codes are available for purchase, and process simulation tools such as Aspen can do the job. However, as shown in Example 11.8, simple but useful approximations are sometimes possible. [Pg.395]

G. Grassy, R. Lahana and Oxford Molecular Ltd., TSAR, Tools for Structure-Activity Relationships, User s Guide, Issue 3. Proprietary Software developed by Oxford Molecular Ltd., Oxford, UK, 1993. [Pg.418]

There was a time long ago, in the days of SAS 6 and earlier versions, when you needed to rely on software external to SAS to convert some data into SAS data sets so SAS could use it. Conceptual Software produced just such a tool with its DBMS/Copy package, which could easily convert many proprietary software database formats into SAS data sets. In 2002, SAS purchased the DBMS/Copy line of software tools and now distributes that software under its Dataflux subsidiary. So DBMS/Copy is still available for use, but the good news is that it is now largely unnecessary if you have SAS/ACCESS and SAS 9. [Pg.79]

Most proprietary spreadsheets have procedures for calculating the cumulative NPW from a listing of the yearly net annual revenue (profit). Spreadsheets are useful tools for economic analysis and project evaluation. [Pg.273]

Social practice, changing, 262-263 Software tools, proprietary, 122 Sparteine, 141... [Pg.363]


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