Keywords for

AMPAC can also be run from a shell or queue system using an ASCII input file. The input file format is easy to use. It consists of a molecular structure defined either with Cartesian coordinates or a Z-matrix and keywords for the type of calculation. The program has a very versatile set of options for including molecular geometry and symmetry constraints. 

Here are some other useful keywords for single point energy calculations (and other types of jobs as well) ... 

Fig. 1.1 Number of publications per year related to bionanohybrid materials. Data collected from the ISI Web of Knowledge [v3.0]-Web of Science. Keywords for search (biopolymer AN D nanocomposite ) OR (natural polymer AND nanocomposite ) OR (bio-nanohybrid ) OR (biohybrid AND nano ).

For consistency of comparisons, the four tabulated structures were assigned as reference structures ( NRTSTR keylist) with full density-matrix averaging (NRTFDM keyword) for each species. 

Quadratic Cl (QCI) and coupled cluster (CC) exemplify more complex methods that are not strictly variational in character, but include physical corrections similar to those of higher-order perturbation theory. Keywords for these methods also include a specification of substitutions from the reference FIF configuration, such as QCISD or CCSD, respectively, for QCI or CC methods with all single and double substitutions. More complete descriptions of these methods are beyond the scope of this appendix. 

The keyword for a given density-functional method is formed by concatenating the symbols for its exchange and correlation functionals. For example, combining the Becke three-term (B3) exchange functional with the Lee-Yang-Parr (LYP) correlation functional leads to the popular B3LYP density functional method. 

Analysis for atoms means that atomic spectroscopy is limited to the elements. In fact, the keyword for atomic spectroscopy is metals. The vast majority of methods involving atomic spectroscopy are methods for determining metals. 

Rates are most often expressed as unit rates. The keyword for rates is per. Speed is known as miles per hour and is actually a rate that means miles per one hour. In the same way, unit price, dollars per pound means dollars per one pound. Unit rates are easier to work with than other ratios, because the denominator is always 1, and so the denominator has no effect when performing cross-multiplication. 

The data set. The data requirements for a MOP AC job are highly standardized. The calculation is controlled mainly by keywords. For example, if an unrestricted Hartree—Fock calculation is to be done on an ammonium ion using the AMI method, then the keywords UHF,... 

Searchable words that help scientists find relevant works. Keywords are often required in abstracts. Some journals provide a list of keywords for authors to choose from. 

Fig. 14.1 Nanobiocatalysis publications in ISl Web of Science by year (1995-2009). Research articles, proceedings and reviews, Search in title, abstract and keywords for enzyme or biocatalysts and nanostructured or nanosized or nanoscale or nanoporous or nanoencapsulation or nanoparticle or nanotube or nanocluster or nanofibre or nanotechnolog or nanocolloid or nanocapsule or nanoreactor or nanoliposome, Search hke in excluding biosens or sensor or electrode or detect or electrochem or chemiluminescence or assay in title, abstract and keywords...

Keywords for 100,000+ Jobs. Wendy S. Enelow. Impact Publications, 1998. 

In the following, 19 individual TA are listed in alphabetical order that represent analytes of referred LC-MS procedures. The short summaries provide important keywords for characterizing important background information. 

Some keywords for further reading on measurements of electrical properties using the SFM are pulsed-force mode [33, 404, 405], special SFM tips [406-409], lithography assisted by electric potentials [244, 254, 410-426], measurements of polarisation and water droplet manipulation [427-429] or reading and writing of ferroelectric domains and piezoactivity [393, 430-438]. 

A survey on 3D-QSAR literature (Oprea 2004) reported more than 1100 entries in the Chemical Abstracts database on CoMFA, 3D-QSAR, and related keywords. For CoMFA alone, 586 publications between 1988 and 2001 demonstrate its wide distribution and applicability. As the number of potential targets in drug discovery is steadily increasing, it is likely that 3D-QSAR models and methodologies will continue to be developed in the future. Successful applications were not only reported to understand target related affinity but also for some ADME relevant targets... 

A system, shown in Table I, has been devised consisting of nine categories, each with a number of keywords for a computerized search for multiple identical features from a data bank of international FFB literature. The so-called categories are represented by digit numbers ... 

This designation system facilitates the choice of a keyword or a string of keywords for a computerized search of any required literature reference. The following example will illustrate the operation. 

In the database, the keyword for the use of organotin reagents in organic synthesis is orgsyn the keyword synthesis is used for the synthesis of organotin compounds. 

The class type dehnes the keyword for a class vector for neural network training and prediction. Depending on the number of components of the class either a multicomponent class vector (e.g., a spectrum) or a single-component class property is allocated. The number of components automatically dehnes the number of weights used in the ANNs. 

FIGURE 10.3 The LOCkey algorithm. A sequence unique data set of localization annotated SWISS-PROT proteins was first compiled. Keywords were extracted for these proteins and merged with any keywords found in homologues. The keywords were represented as binary vectors in the Trusted Vector Set. An unknown query was first annotated with keywords through identification of SWISS-PROT homologues. Keywords for the query were represented as binary vectors. All possible keyword combinations were constructed (the SUB vectors). The best matching vector was found based on entropy criteria (see Methods). This vector was used to infer localization for the query. 

Bazzan, A. L., P. M. Engel, L. F. Schroeder, and S. C. Da Silva. 2002. Automated annotation of keywords for proteins related to mycoplasmataceae using machine learning techniques. Bioinformatics 18, Suppl. no. 2 S35-43. 

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