Generation from

Extrapolated "data" were then generated from ZOO K to the... 

Figure 13.8 The grand composite curve for the whole process apparently requires only high-pressure steam generation from boiler feedwater.

CflHaOa. An unstable acid which spontaneously forms a -lactone, coumarin, when the free acid is generated from its salts. See coumaric acid. 

If a company has a number of projects at various stages of development, it has the option to pay for decommissioning with cash generated from younger fields. A company with only one project will not have this option and may choose to build up a... 

It should be mentioned that the single-particle Flamiltonians in general have an infinite number of solutions, so that an uncountable number of wavefiinctions [/ can be generated from them. Very often, interest is focused on the ground state of many-particle systems. Within the independent-particle approximation, this state can be represented by simply assigning each particle to the lowest-lying energy level. If a calculation is... 

Kono J, Su M Y, Inoshita T, Noda T, Sherwin M S, Allen S J and Sakaki H 1997 Resonant THz optical sideband generation from confined magnetoexcitons Rhys. Rev. Lett. 79 1758-61... 

Keller G 1986 Random-phase-approximation study of the response function describing optical second-harmonic generation from a metal selvedge Rhys. Rev. B 33 990-1009... 

Pan R P, Wei H D and Shen Y R 1989 Optical second-harmonic generation from magnetized surfaces Phys. Rev. B 39 1229-34... 

Sipe J E, Moss D J and van Driel H M 1987 Phenomenological theory of optical second- and third-harmonic generation from cubic centrosymmetric crystals Phys. Rev. B 35 1129-41... 

Vollmer R 1998 Magnetization-induced second harmonic generation from surfaces and ultrathin films Nonlinear Optics in Metals e6 K H Bennemann (Oxford Clarendon) pp 42-131... 

Wang H, Yan E C Y, Borguet E and Eisenthal K B 1996 Second harmonic generation from the surface of centrosymmetric particles in bulk solution Chem. Phys. Lett. 259 15-20... 

Forbes M D E, Schulz G R and Avdievich N I 1996 Unusual dynamics of micellized radical pairs generated from photochemically active amphiphiles J. Am. Chem. Soc. 118 10 652-3... 

Birkin P R, O Connor R, Rapple C and SilvaMartinez S 1998 Electrochemical measurement of erosion from individual cavitation events generated from continuous ultrasound J. Chem. See., Faraday Trans. 94 3365... 

Spence D E, Kean P N and Sibbett W 1991 60 fs pulse generation from a self-mode-locked Ti sapphire laser Qpt. Lett. 16 42—4... 

One of the most important teclmiques for the study of gas-phase reactions is flash photolysis [8, ]. A reaction is initiated by absorption of an intense light pulse, originally generated from flash lamps (duration a=lp.s). Nowadays these have frequently been replaced by pulsed laser sources, with the shortest pulses of the order of a few femtoseconds [22, 64]. 

Figure B3.3.14. Template molecule in a zeolite cage. The CFIA stmcture (periodic in the calculation but only a fragment shown here) is drawn by omitting the oxygens which are positioned approximately halfway along the lines shown coimecting the tetrahedral silicon atoms. The molecule shown is 4-piperidinopiperidine, which was generated from the dicyclohexane motif suggested by computer. Thanks are due to D W Lewis and C R A Catlow for this figure. For fiirther details see [225].

Leigh D A, Moody A E, Wade F A, King T A, West D and Bahra G S 1995 Second harmonic generation from Langmuir-Blodgett films of fullerene-aza-crown ethers and their potassium ion complexes Langmuir 11 2334-6... 

Tam-Chang S W, Biebuyck H A, Whitesides G M, Jeon N and Nuzzo R G 1995 Seif-assembied monoiayers on goid generated from aikanethiois with the structure RNHCOCH(2)SH Langmuir 4371-82... 

Metzler W J, Hare D R and Pardi A 1989 Limited sampling of conformational space by the distance geometry algorithm implications for structures generated from NMR data Bioohemistry 2S 7045-52... 

Integrators Generated from Factorizing the Classical Propagator... 

It is appropriate to consider first the question of what kind of accuracy is expected from a simulation. In molecular dynamics (MD) very small perturbations to initial conditions grow exponentially in time until they completely overwhelm the trajectory itself. Hence, it is inappropriate to expect that accurate trajectories be computed for more than a short time interval. Rather it is expected only that the trajectories have the correct statistical properties, which is sensible if, for example, the initial velocities are randomly generated from a Maxwell distribution. 

RAMSES is usually generated from molecular structures in a VB representation. The details of the connection table (localized charges, lone pairs, and bond orders) are kept within the model and are accessible for further processes. Bond orders are stored with the n-systems, while the number of free electrons is stored with the atoms. Upon modification oF a molecule (e.g., in systems dealing with reactions), the VB representation has to be generated in an adapted Form from the RAMSES notation. 

The greatest value of molecular dynamic simulations is that they complement and help to explain existing data for designing new experim en ts. Th e sun ulation s are in creasin gly n sefn I for stnictural relinemcnt of models generated from XMR, distance geometry, an d X-ray data. 

I iiis can be helpful because it may enable more meaningful sets of orbitals to be generated from the original solutions. Molecular orbital calculations may give solutions that are nioared out throughout the entire molecule, whereas we may find orbitals that are Im alised in specific regions (e.g. in the bonds between atoms) to be more useful. 

These two methods generate random numbers in the normal distribution with zero me< and unit variance. A number (x) generated from this distribution can be related to i counterpart (x ) from another Gaussian distribution with mean (x ) and variance cr using... 

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