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Function limit

There have been a few basis sets optimized for use with DFT calculations, but these give little if any increase in efficiency over using EIF optimized basis sets for these calculations. In general, DFT calculations do well with moderate-size HF basis sets and show a significant decrease in accuracy when a minimal basis set is used. Other than this, DFT calculations show only a slight improvement in results when large basis sets are used. This seems to be due to the approximate nature of the density functional limiting accuracy more than the lack of a complete basis set. [Pg.85]

The 8 functions limit the non-vanishing regions of / -space to discrete layer planes perpendicular to k. These layer planes are infinitely sharp, because the helix was assumed to be infinitely long. Limiting the summation to a finite length of the helix would lead to broadening of these layer planes. [Pg.22]

Equation (4-210) is known as the sampling theorem. It states that any time function limited to a frequency W can be uniquely determined by its values at sample points spaced 1/2W apart. Thus if both the input and output from a channel are limited to a frequency W, then we can represent the input and output as sequences of real numbers spaced at intervals of 1/2 W. If each output in this sequence depends on only one input, then the results for continuous input, continuous output channels can be applied. One particularly important case in which ... [Pg.245]

Presentations encompass a spectrum ranging from asymptomatic to severe joint pain and stiffness with functional limitations. [Pg.881]

The prevalence of obesity in older adults is increasing therefore, it should not be surprising that more cardiovascular risk factors are present in this group of individuals. Additionally, obesity is a major predictor of functional limitation and mobility problems in older persons. Age alone should not prejudice the clinician from treating geriatric patients, whereas the benefits of cardiovascular health and functionality should be considered. Treatments should be initiated that minimize adverse effects on bone health and nutritional status and should include dietary and activity modifications.6... [Pg.1537]

Delta function limit, two-pathway excitation, coherence spectroscopy, 183-185 Deterministic force, transition state trajectory, 209-213... [Pg.279]

Controller Functions Limit switches, Auto-Zero, Peak-to-Peak, Minimum, Maximum, Average, Storage of 3 configurations (calibrations) ... [Pg.253]

Quantum mechanics is intrinsically probabilistic, but classical theory - as shown above by the existence of the delta-function limit for the classical distribution function - is not. Since Newton s equations provide an excellent description of observed classical systems, including chaotic systems, it is crucial to establish how such a localized description can arise quantum mechanically. We will call this the strong form of... [Pg.58]

Jain, R., Rusch, S., and Kendall, D. (1994). Signal peptide cleavage regions. Functional limits on length and topological implications./. Biol. Chem. 269, 16305-16310. [Pg.336]

Following pre-installation qualification and the actual installation of an HPLC system, both the IQ and the OQ protocols should be implemented, back to back, soon after the installation. Again, the IQ is used to verify that the installation of the system was successful, with all instrument components powering-up properly. The OQ follows, verifying that the system components perform as they were functionally specified by the vendor. Finally, the PQ protocol serves to verify that the system as a whole performs to the URS established by the user and within the functional limitations of the system as a whole. As part of the PQ, it is recommended to test the system as a whole, called holistic validation. This... [Pg.332]

Anticholinergics. Antagonists at muscarinic cholinoceptors, such as betuatropine and biperiden (p. 106), suppress striatal cholinergic overactivity and thereby relieve rigidity and tremor however, akinesia is not reversed or is even exacerbated. Atropinelike peripheral side effects and impairment of cognitive function limit the tolerable dosage. [Pg.188]

Renal function Adequately hydrate all patients undergoing treatment. Exercise caution in using succimer therapy in patients with compromised renal function. Limited data suggest that succimer is dialyzable but that the lead chelates are not. Hepatic function Trans ent mild elevations of serum transaminases have been observed in 6% to 10% of patients during the course of therapy. Monitor serum transaminases before the start of therapy and at least weekly during therapy. [Pg.376]

Answer This patient has congestive heart failure from long-standing hypertension. In addition, the patient has compromised liver function, limiting the choice of drug. Drugs that inhibit the renin-angiotensin system, specifically ACE inhibitors, are... [Pg.217]

Both homodetic and heterodetic cyclizations via the peptide termini and/or the sequence-encoded side-chain functionalities limits the variability in ring size and chemistry. In order to enhance the diversity in these terms, the concept of extended and reverse-extended lactam ring (also called branched peptides) was introduced.1415 As shown in Scheme 19, this necessitates an additional spacer consisting of an amino acid residue or of a peptide chain inserted between the two side-chain functionalities involved in cyclization. Depending upon the parallel or antiparallel orientation of the inserted spacer, the resulting constructs are termed extended (branched) and reverse-extended peptides.[415]... [Pg.500]

Name the major classes of macromolecules in biology. Outline the molectrlar differences between them. Is enzyme like function limited to proteins ... [Pg.304]

Onset of unconsciousness is rapid but it is associated with a high incidence of excitatory effects, comparable to methohexitone, but these can be reduced by prior administration of an opioid. Analogous to the barbiturates, etomidate decreases CMR02, CBF and ICP but the haemodynamic stability of the drug will maintain CPP. Its well-known inhibition of adrenocortical function limits its clinical usefulness for long-term control of elevated ICP. While etomidate can produce convulsion-like EEC potentials in the absence of apparent convulsions, it has been used to terminate status epilepticus. [Pg.87]

Fabris F, Collins J et al (2009) Investigation of steric and functionality limits in the enzymatic dihydroxylation of benzoate esters. Versatile intermediates for the synthesis of pseudo-sugars, amino cyclitols, and bicyclic ring systems. Org Biomol Chem 7 2619-2627... [Pg.42]

First, let us express the polyelectronic wave functions, limited to the lone pairs, for the two apparently different representations. In the canonical MO representation, the polyelectronic wave function, P mo, is made of the doubly occupied n and p orbitals ... [Pg.107]

The above definitions are equivalent only for wave functions which satisfy the Hellmann-Feynman relationship for electric field variations, for example, MCSCF wave functions. Limited Cl and CC wave functions do not satisfy the conditions of the Hellmann-Feynman theorem, and properties calculated using the above two definitions are therefore different for these wave functions. There is, however, no a priori reason to prefer one definition over the other (Amos, 1987). [Pg.226]

Not yet applicable for safety-related signals/functions Limited number of field devices per bus segment (5... 10)... [Pg.382]

First the enyne alcohol is converted into the TBS ether via step 1. For introduction of the stannane moiety the alkync is deprotonated by a base, in this case by KHMDS, followed by addition of Bu SnCI. Cis selective reduction of the resulting stannylalkyne is achieved via hydrozireonation using equimolar amounts of CpoZrHCl. This method is not very common and only applied to stannyl alkynes with ether functionalities. Limitation of this method is related to the... [Pg.170]

Figure A2.1. Hyperbolic functions, (a) even [b) uneven functions. Limits eire indicated, c. Inverse functions... Figure A2.1. Hyperbolic functions, (a) even [b) uneven functions. Limits eire indicated, c. Inverse functions...
There is a second type of functional limit the limit as the value of the independent variable approaches infinity. While a sequence that approaches infinity is said to diverge, there are cases for which applying the defining rule of a function to a diverging sequence results in creation of a converging sequence. The function defined by the equation y = 1/x is such a function. If a finite limit exists for the function when the independent variable approaches infinity it is written formally as ... [Pg.127]

Central nervous system disturbances, especially impaired cerebellar function, limit doses of cytarabine, and age is an important predictive factor. Of 418 patients who received 36-48 g/m only 35 (8%) had severe cerebellar toxicity, which was irreversible or fatal in 4 (1%) (2). Patients over 50 years of age were significantly more likely to develop cerebellar problems than younger patients (26/137, 19%, compared with 9/281, 3%) a second course did not increase the incidence, implying that it is the individual rather than the cumulative dose that is important. [Pg.1034]

Interest in the host binding properties of the cucurbit[ ]urils (CBs) is increasing very quickly. As a result of this growing interest, several reports on the binding interactions between CB hosts and dendrimers are available. However, although very promising, the chemistry of CBs is still less developed than that of CDs and the body of work is much smaller in the former case. Furthermore, the lack of practical synthetic methods for CB functionalization limits the possibilities of structural elaboration around CB hosts. While the CDs have been used as scaffolds for the construction of dendrimers or covalently attached to dendritic structures, similar research work with CBs is still in its infancy. [Pg.221]


See other pages where Function limit is mentioned: [Pg.388]    [Pg.166]    [Pg.902]    [Pg.183]    [Pg.129]    [Pg.290]    [Pg.388]    [Pg.206]    [Pg.35]    [Pg.170]    [Pg.469]    [Pg.55]    [Pg.193]    [Pg.23]    [Pg.548]    [Pg.83]    [Pg.931]    [Pg.173]    [Pg.294]    [Pg.1959]    [Pg.2437]    [Pg.61]    [Pg.280]    [Pg.167]    [Pg.421]   
See also in sourсe #XX -- [ Pg.267 ]




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Activation functions hard-limiting

Autocorrelation function classical limits

Central limit theorem functional

Constructing thermodynamic functions limits

Contrast transfer function limiting resolution

Density functional theory limitations

Double-substrate-limitation function

Exponential function limiting

Function complex behaviour limitation

Functional groups, determination chromatography detection limits

Functional hazard analysis limitations

Functioning, Characteristics, Limitations

Functions, Limits, and Continuity

Grand partition function thermodynamic limit

INDEX functional group limitations with

Laplace transform limit functions

Limit of a Function

Limit state function

Limiting Values of Functions

Limiting function

Partition function, classical limit

Response Functions and Limits of Detection

Response function classical limit

Scattered intensity in the limit of zero concentration intra- and intermolecular structure functions

Specific rate function statistical limit

Strength function limiting behavior

Symmetrized correlation function classical limit

Time correlation functions limits

Uniform density limit energy functionals

Upper-limit distribution function

Useful Properties of Laplace Transform limit functions

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