Stable keyword

The stability of a Slater determinant can be checked by means of the stable keyword in Gaussian 98. For an extension to DFT, see Bauemschmitt and Ahlrichs, 1996a. 

In order to specify the proper electronic state, ozone calculations should be performed as unrestricted calculations, and the keyword Gue s=Mix should always be included. This keyword tells the program to mix the HOMO and LUMO within the wavefunction in an effort to destroy a-P and spatial symmetries, and it is often useful in producing a UHF wavefunction for a singlet system. Running a UHF GuesssMix Stable calculation confirms that the resulting wavefunction is stable, and it predicts the same energy (-224.34143 hartrees) as the previous Stable=Opt calculations. 

Keywords stable analogs of transition state are used as haptens to elicit antibodies that will catalyze Diels-Alder reaction... 

KEYWORDS Unconformity Hosted Uranium Deposit, Nunavut, Geochemistry, Uranium Exploration, Oxygen Stable Isotopes... 

Keywords Hollinger, McIntyre, gold, mesothermal, lithogeochemical, alteration, stable isotope... 

Keywords gold, Annidale, New Brunswick, Ganderia, stable isotopes... 

Keywords Carbene Stable carbene Non-NHC NHC Ligand Catalysis... 

Keywords Alkoxy alanes in CVD Siloxy alanes in CVD Meta-stable phases Nanocomposites Mechanisms in CVD... 

Keywords Nucleic Acid Bases, Low Energy Electron, Strand Break, Stable Anion, Proton Transfer... 

Keywords nitrogen dioxide, nitrosyl nitrate, polyamides, stable radicals, EPR spectra. 

Keywords Stable isotopes, fluorine, polyketides, fungi, proteins. 

Keywords solid-solid reaction, ball milling, stable radicals, TEMPO, TEMPO-nitrosonium salts, TEMPO-nitrosonium salts, triphenylverdazylium salts... 

Keywords Molecular signatures. Stable isotopes, Chemometrics. 

Keywords fluid inclusions, evaporites, halite, gypsum, paleoclimate, analytical techniques, ESEM-EDS, SEM-EDS, stable isotopes, ICP-MS. 

Keywords lake water, sediment, stable isotope, trace element, paleoenvironmental reconstruction, carbonates,... 

Keywords stable isotopes, nitrogen, organic matter, palaeolimnology, C/N, mass spectrometry... 

Keywords Silyl Effects / Stable Carbocations / NMR / Ab Initio Calculations... 

Keywords Gas sweetening, adsorption, heat stable salts, hydrogel, isotherm... 

Keywords Ab initio molecular dynamics simulations Always stable predictor-corrector algorithm Associated liquids Basis set Bom-Oppenheimer molecular dynamics simulations Car-Parrinello molecular dynamics simulations Catalysis Collective variable Discrete variable representation Dispersion Effective core potential Enhanced sampling Fictitious mass First-principles molecular dynamics simulations Free energy surface Hartree-Fock exchange Ionic liquids Linear scaling Metadynamics Nudged elastic band Numerically tabulated atom-centered orbitals Plane waves Pseudopotential Rare event Relativistic electronic structure Retention potential Self consistent field SHAKE algorithm ... 

Keywords DNA-binding proteins Stable isotope labeling... 

Wood for construction and natural fibers (cotton, silk, wool, flax) are still in great favor. It took the petrochemical industries decades to convince consumers that their products are at least equivalent to RR and to get rid of the aftertaste of a wartime substitute . It is, however, obvious in many keyword entries of this dictionary that RR lost ground. Their volume is rather stable, but the strong increases of many markets are served by petro-based products. Arguments to save the woods worldwide and to reduce extreme exploitation have contributed to the reduction of uses of wood in furniture, lumber window frames, etc. 

Apart from spatial order the above given definition contains such keywords as stmcture capable of growth , stable to fluctuations of external conditions and feedback . 

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