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General Atomics

GAMESS stands for general atomic and molecular electronic structure system (we reviewed a version dated Dec. 2, 1998). It is an ah initio and semiempirical program, and has seen the most widespread use for ah initio calculations. The ASCII input hie format is usable but somewhat more lengthy than some other programs. The fact that GAMESS is a free, high-quality software makes it a favorite of many academic researchers. [Pg.335]

GAPT (generalized atomic polar tensor) a charge calculation method GB/SA (generalized Born/surface area) method for computing solvation effects... [Pg.364]

Dill Doublet III General Atomics, San Diego, Calif. [Pg.153]

Many problems have been reported (163), and the process has been abandoned because of the difficulty in handling sohds. Processes which are thought to have the best likelihood of success ate based on sulfuric acid decomposition. Three prominent cycles are based on this reaction the General Atomics iodine—sulfur cycle... [Pg.426]

Dienes, J.K., Johnson, W.E., and Walsh, J.M., The Theory of Hypervelocity Impact, General Atomics Division, General Dynamis Corporation Annual Report No., GD-GA-HVMP-AR-65/6, San Diego, CA, 119 pp., June 1965. [Pg.362]

Near-edge structures superimposed on the general atomic edge profile are caused by transitions of inner-shell electrons of a particular atom to the lowest unoccupied... [Pg.62]

J. Price, Thermal conductivity of neutron-irradiated reactor graphites, 1974, General Atomics. [Pg.425]

T.S. Elleman, (General Atomics, San Diego, CA). Unpublished work,. [Pg.426]

The HTGR designed by the General Atomic Company and constructed at Peach Bottom, Pennsylvania, U.S.A., was a 40 MW(e) experimental power plant which was similar in many respects to the Dragon reactor. Peach Bottom started commercial operation on June 1, 1967, and ceased operation on October 31, 1974 [36]. The major performance parameters of the Peach Bottom Reactor are shown in Table 8. [Pg.448]

Fleming, K. N. et al., 1979, A Methodology for Risk Assessment of Major Fires and Its Application to an HTGR Plant, General Atomic GA-A15401. [Pg.478]

Such a matrix is not independent on the coordinate system, but the trace is. Cioslowski has proposed a definition of atomic charges as one-third of the trace over the APT, denoted Generalized Atomic Polar Tensor (GAPT) charges.The charge on atom A is defined as... [Pg.226]

The atomic radii of the main-group elements are shown at the top of Figure 6.13 (p. 153). Notice that, in general, atomic radii—... [Pg.152]

A. Harrison, AnalChem 41 (1969), 1396 8) V. Guinn et al, Applications of Neutron Activation Analysis in Scientific Crime Investigations , Gulf General Atomic Corp Rept GA-9807 (1970) 9) K. Pillay et al, Nuclear... [Pg.389]

Figure 7.4. Structure of high-density ( 2.0 g/cm ) isotropic pyrolytic carbon, observed by transmission electron microscopy. Viewing plane is parallel to deposition plane (x = 23 600). (Photograph Courtesy J. L. Kaae, General Atomics, San Diego, CA)... Figure 7.4. Structure of high-density ( 2.0 g/cm ) isotropic pyrolytic carbon, observed by transmission electron microscopy. Viewing plane is parallel to deposition plane (x = 23 600). (Photograph Courtesy J. L. Kaae, General Atomics, San Diego, CA)...
GAMESS general atomic and molecular electronic structure system... [Pg.105]

We have mentioned (p. 9) that, in general, atoms of the second row of the periodic table do not form stable double bonds of the type discussed in Chapter 1 (n bonds formed by overlap of parallel p orbitals). However, there is another type of double bond that is particularly common for the second-row atoms sulfur and phosphoms. For example, such a double bond is found in the compound H2SO3, as written on the left. Like an ordinary double bond, this double bond contains one s... [Pg.45]

M. W. Schmidt et al., Gamess General atomic and molecular electronic structure system (2006), see http //www.msg.ameslab.gov/GAMESS/GAMESS.html and / Comput. Chem. 14, 1347 (1993). [Pg.92]

Cong Y, Yang ZZ (2000) General atom-bond electronegativity equalization method and its application in prediction of charge distributions in polypeptide. Chem Phys Lett 316(3-4) 324-329... [Pg.253]

Fisher, C. R., and P. Y. Achener, 1965, Alkali Metals Evaluation Program—Swirl Flow Boiling of Alkali Metals Heat Transfer and Pressure Drop, Rep. AGN-8127, Aerojet General—Nuclear Division, General Atomic, San Diego, CA. (5)... [Pg.532]

The IS process has been studied in United States, Europe, and Japan since 1970s, and some important breakthroughs were attained by General Atomics (GA). So far, the research has been carried out in the following fields ... [Pg.139]


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Atom generalized

Atom generalized

Atomic Densities, Polarizabilities, and Natural Orbitals Derived from Generalized Sturmian Calculations

Atomic Expectation Value of a General Operator

Atomic absorption general principle

Atomic properties general

Atomic structure general features

GRASP-General Purpose Relativistic Atomic

General Atomic

General Atomic

General Atomic and Molecular Electronic

General Atomic and Molecular Electronic Structure System

General Atomics Corporation

General Atomics Test Results

General Classification of Negatively Polarized Hydrogen Atoms as Proton-Accepting Sites Basicity Factors

General Equation for the Removal of Electronically Excited Halogen Atoms

General Features of Atom Transfer Radical Polymerization (ATRP)

General Medical Sciences-Atomic Energy

General Medical Sciences-Atomic Energy Commission

General Self-Consistent-Field Equations and Atomic Spinors

General features of late potential energy surfaces for exothermic reactions where the attacking atom is heavy

General features of late potential energy surfaces where the attacking atom is light

Generalized Sturmians atomic calculations using

Generalized atomic polar tensor charges

Generalized atomic polar tensor population

Generalized atomic polar tensor,

Many-electron atoms general energy ordering

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