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TERS

Musk ketone is 4-ter/-butyl-2,6-dimethyl-3,5-dinitroacetophenone, yellow crystals, m.p. 135-136°C. [Pg.268]

Einstein A 1917 On the quantum theory of radiation Phys. Z. 18 121 Reprinted ter Haar D 1967 The Old Quantum Theory (New York Pergamon)... [Pg.278]

English translation in D ter Haar (ed) 1965 The Collected Papers of LD Landau (Oxford Pergamon) pp 210-211... [Pg.2566]

Belhadj,M., Alper, H.A., Levy, R.M. Molecular dynamics simulations of wa ter with Ewald summation for the long-range electrostatic interactions. Chem. Phys. Lett. 179 (1991) 13-20. [Pg.32]

Three record types are used to group other records TER indicates the end of a chain, while MODEL/ENDMDL surround groups of ATOM, HETATM. TER and similar records. [Pg.114]

A. M. ter laak, N. P. E. Vermeulen, Molecular-modeling approaches to predict metabolism and toxicity, in Pharmacokinetic Optimization in Drug Research, B. Testa, H. van de Water-beemd, G. Folkers, R. Guy (Eds.), Wiley-VCH, Weinheim, 2001,... [Pg.620]

Because of liiTi itation s iu corn pu ter poxver an d time, it is frequen tly impractical to run a constant energy molecular dynaniics simulation. -Several approxirn ation s to th e eu ergy (usually to th e poteu -tial en ergy) are possible, wh ieh require m odifyiri g th e Ham ilto-... [Pg.71]

Lure. Scaliu. creates a Gaiissuin tlisLribii Lion of velocities. Al ter 100 to liOO steps oCa simulation, this becomes a Boli/mann disirihu-tion. [Pg.74]

In stead, the electrostatic con tribn tion conies from definin g a set of bond dipole moments associated woth polar bonds. These bond moments are defined in the m m psir.LxL(dbf) file along with the bond stretching parameters and are given in units of Debyes. The cen ter of th e dipole Is defined to be th e m Idpoint of the bond an d two dipoles p. and pj. separated by Rjj. as shown beltnv ... [Pg.184]

The one-eenter exchange integrals that INDO adds to the CNDO schcmccan be related to th e-Slater-Condon param eters h", O. and F used to describe atomic spectra. In particular, for a set of s, p,. p,.. t, atom ie orbitals, all the on e-ecn ter in tegrals are given as ... [Pg.278]

The cIcniciiLs of the MNDO Fock niairix bused on thenef/lecL of diuLmnic din ereii liul overlap approximaiion are described below. When and dy are on dilTeren L cen ters the oIT-diagonal elemen Is of 111 e Hock matrix ai e ... [Pg.285]

Hecaiise the repulsion interaction energy of two point charges is inversely proportional to the distance separating the two charges, Dewar and co-workers, for example, represent the (ssiss) two-ceri-ter two-electron integral by ... [Pg.287]

See other pages where TERS is mentioned: [Pg.188]    [Pg.240]    [Pg.223]    [Pg.320]    [Pg.143]    [Pg.149]    [Pg.161]    [Pg.161]    [Pg.162]    [Pg.164]    [Pg.166]    [Pg.166]    [Pg.166]    [Pg.166]    [Pg.167]    [Pg.204]    [Pg.388]    [Pg.463]    [Pg.1225]    [Pg.262]    [Pg.262]    [Pg.137]    [Pg.118]    [Pg.449]    [Pg.621]    [Pg.24]    [Pg.129]    [Pg.156]    [Pg.176]    [Pg.206]    [Pg.241]    [Pg.252]    [Pg.265]    [Pg.278]    [Pg.279]    [Pg.279]    [Pg.281]    [Pg.286]    [Pg.287]   
See also in sourсe #XX -- [ Pg.4 , Pg.8 ]



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Du-Ter

Dutral TER

Fi!ter

First TERS Experiments

From SERS to TERS

Full Rate Equations for Ter Bi Systems

Ideal Con tin uous Stirred-tank Fermen ter

Investigation of Nonbiological Samples with TERS

Potassium ter/.butoxide

So.F.Ter

TERS on Single-crystalline Surfaces

TERS signal intensities

Ter Bi mechanisms

Ter Linden

Ter Meer

Ter Meer reaction

Ter Meulen

Ter River

Ter region

Ter, reaction

Ter-EDOT

Ter/-amyl

Ter/-butoxy radicals

Tip-enhanced Raman scattering (TERS

Tip-enhanced Raman spectroscopy TERS)

Tus-Ter complex

Van Deem ter

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