Dallugge 7

Stored signal can be evaluated using two markers which can be moved along the buffer and are displayed in time axis windows. Associated dialog box shows the signal parameters at markers positions X and Y amplitudes, complex amplitudes and phases and signal differences between these two selected points. Data in the buffer can be additionally smoothed using 1-3-5-3-1 algorithm.  [c.390]

Measure Wall Thickness This window is used for the dialog to calibrate the algorithm aceording formula (3) and for point wise measurements after calibration. The row Ideal indicates the nominal wall thickness used, IQI indicates the wall thickness values used for calibration and the detected optical density. Local can be used for noise reduction and compensation of geometric effects.  [c.564]

Depth measurement possibility on complex-contour parts (in the corners, grooves etc.) by training the device in the dialog mode on control items with certain depth cracks  [c.652]

The fust window that appears after starting the program and accepting the license agreement is the Scifinder Scholar window with the Explore dialog box, which of-Fei s six basic search topics (Figure 5-11 Chemical Substance or Reaction, Research Topic, Author Name, Document Identifier, Company Name/Organi/ation, and Browse Table of Contents. At this point the user can choose the search topic that is most relevant according to the information that is available.  [c.244]

Figure 5-20, Dialog box to specify the bond attributes. Figure 5-20, Dialog box to specify the bond attributes.
Part of the structure editor screen with dialog windows to specify the attachment 1 user-defined generic groups.  [c.255]

Be careful when you use the Orbital Criterion for symmetrical system s. To get correct resnlis, you in u st include all or none of any set of degenerate orbitals in the Cl, n ot jn si some of them. Carrying out an RIIF calculation first and studying the Orbitals dialog box will help you to spot degenerate orbitals and avoid this pitfall.  [c.39]

First, we consider the case of rapid, irreversible aggregation. In tire literature on fractal aggregates, tliis is known as diffusion limited cluster aggregation (DLCA), where particles (monomers) and also tire aggregates diffuse and aggregate when any two of tliem meet. Computer simulations predicted ratlier open stmctures witli d 1.8 under tliese conditions [62, 63 and 64], and experiments have confinned tliis (figure C2.6.7) [65]. Various metliods exist for measuring p For instance, scattering (light, x-ray) experiments yield Jj-from the variation of tire scattered intensity / witli wavevector Q, as  [c.2684]

Figure C2.6.7. Fractal aggregate of gold particles with a = 12 0.7 nm, obtained under DLCA conditions, with = 1.74 (reproduced with pennission from [65]. Copyright 1984 Elsevier Science Publishers B.V). Figure C2.6.7. Fractal aggregate of gold particles with a = 12 0.7 nm, obtained under DLCA conditions, with = 1.74 (reproduced with pennission from [65]. Copyright 1984 Elsevier Science Publishers B.V).
Section II begins with a general discussion of conical intersections, including deductions from the point group and time-reversal symmetries, concerning connections between the nuclear coordinate dependencies of different electronic Hamiltonian matrix elements. Section III is concerned with the nature of electronic adiabatic eigenstates close to a conical intersection. The crucial result for later sections is that an x e conical intersection gives rise to an adiabatic eigenvector sign change regai dless of the size and shape of the encircling loop, provided that no other degenerate points are enclosed. Specifically, geometrical aspects of adiabatic eigenvector evolution ai e discussed in Section IV, along the lines of papers by Berry [8] and Aharonov et al. [18]. Different expressions for its evaluation are also outlined. Various aspects of the x Jahn-Teller problem, with linear and quadratic coupling, including and excluding spin-orbit coupling, are outlined in Section V. More general aspects of the nuclear dynamics on the lower potential sheet arising from a conical intersection are treated in Section VI, from two viewpoints. Section VI.A expounds Ham s general conclusions about the order of vibronic tunneling levels from a band theory standpoint [11], with sign-reversing boundary conditions on the nuclear wave functions. There is also an appendix for readers unfamiliar with Floquet theory arguments. By contrast. Section VLB outlines the elements of Mead and Truhlar s theory [10], with normal boundary conditions on the nuclear wave function and a vector potential contribution to the nuclear kinetic energy, arising from the compensating phase factor < /(Q), which was discussed above. The relationship between the contributions of Aharonov et al. [18] and Mead and Truhlar [10] are described. Aspects of the symmetry with respect to nuclear spin exchange in the presence of geometric phase ar e also discussed. Section VII collects the main conclusions and draws attention to related early work on situations with greater complexity than the simple x e problem.  [c.4]

We recently received a preprint from Dellago et al. [9] that proposed an algorithm for path sampling, which is based on the Langevin equation (and is therefore in the spirit of approach (A) [8]). They further derive formulas to compute rate constants that are based on correlation functions. Their method of computing rate constants is an alternative approach to the formula for the state conditional probability derived in the present manuscript.  [c.265]

The ROSDAL (Representation of Organic Structures Description Arranged Linearly) syntax was developed by S. Welford, J. Barnard, and M.F. Lynch in 1985 for the Beilstein Institute. This line notation was intended to transmit structural information between the user and the Beilstein DIALOG system (Beilstein-Ohlme) during database retrieval queries and structure displays. This exchange of structure information by the ROSDAL ASCII character string is very fast.  [c.25]

ROSDAL is used in the Beilstein-DIALOG system [17] as a data exchange format. The code can represent not only full structures and substructures but also some generic structures.  [c.26]

The Chemical Abstracts (CA) FUe of the Chemical Abstracts Service (CAS) [15] is the main abstracting and indexing service for chemistry, chemical engineering, and biochemistry. It includes conference proceedings, technical reports, books, dissertations (from 1967), reviews, meeting abstracts, electronic journals, web reports, international journals, and patents. The database has the broadest coverage of all the chemistry databases and is provided by different hosts DIALOG [16], DataStar, Questel-Orbit [17], STN International, and particularly SciFinder. The bibliographic database comprises more than 22 million records (March, 2003) from 1907 to the present, and is updated each week with about 14 000 new citations.  [c.241]

HyperChem tjuantum tn ech an ics calcu lation s tn ust start with the number of electrons (N) and how many of them have alpha spins (th e remain in g electron s have beta spin s ). HyperCh em obtain s th is in form ation from the charge an d spin m u Itiplicity th at you specify in th e Sem i-em pirical Op lion s dialog box or. Ab Initio Option s dialog box. is th en computed by coun ting the electron s (valence electrons in sem i-em pirical methods and all electrons in a/ irti/io m ethod) associated with each (assumed neutral) atom and  [c.44]

Run a molecular dynamics simulation, Start another simulation with the same molecular system and with Restart off in the Molecular Dynamics dialog box. HyperCheni assigns a new set of velocities at random.  [c.79]

Snapshots at regular time intervals that store atomic coordi-riaies and velocities. You can play back these snapshots to inspect the simulated structures or to average values. Yon specify a Snapshot period in the Molecular Dynamics Snapshots dialog box.  [c.80]

Averages or plotted values at regular time in icrvals. You specify an Average/Graph period in th e Molecti lar Dyn am ics. Averages dialog box.  [c.80]

Tor all restraints, HyperChem uses named selections that contain two, three, or four atoms each. You use Name Selection on the Selectmenn to assign nam es to groups of selected atom s. Th en you can apply named selections as restraints for a calculation in the Restraint Forces dialog box from Restraints on the Setup menu.  [c.81]

Before startiu g a in olecular dyri am ics simulation, L-click on Averages in the Molecular Dynamics Option s dialog box.  [c.86]

See pages that mention the term Dallugge 7 : [c.241]    [c.244]    [c.244]    [c.244]    [c.244]    [c.245]    [c.45]    [c.325]    [c.746]    [c.753]    [c.380]    [c.1767]    [c.1866]    [c.2288]    [c.2685]    [c.212]    [c.214]    [c.216]    [c.218]    [c.220]    [c.222]    [c.224]    [c.280]    [c.244]    [c.279]    [c.38]    [c.48]    [c.84]    [c.86]   
Sourse beds of petroleum (1942) -- [ c.87 , c.88 , c.89 , c.90 , c.91 , c.92 , c.93 , c.94 , c.95 , c.96 , c.97 , c.98 , c.99 , c.100 , c.101 , c.102 , c.103 , c.104 , c.105 , c.106 , c.107 , c.108 , c.109 , c.110 , c.111 , c.112 , c.113 , c.114 , c.115 , c.116 , c.117 , c.118 , c.119 , c.120 , c.121 , c.122 , c.123 , c.124 , c.125 , c.126 , c.127 , c.128 , c.129 , c.130 , c.131 , c.132 , c.133 , c.134 , c.135 ]