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Buckingham

Slater and Kirkwood s idea [121] of an exponential repulsion plus dispersion needs only one concept, damping fiinctions, see section Al.5.3.3. to lead to a working template for contemporary work. Buckingham and Comer [126] suggested such a potential with an empirical damping fiinction more than 50 years ago ... [Pg.206]

Buckingham A D 1967 Permanent and induced molecular moments and long-range intermolecular forces Adv. Chem. Phys. 12 107... [Pg.210]

Buckingham A D and Fowler P W 1983 Do electrostatic interactions predict structures of van der Waals molecules J. Chem. Phys. 79 6426... [Pg.215]

Buckingham A D, Fowler P W and Stone A J 1986 Electrostatic predictions of shapes and properties of van der Waals molecules Int. Rev. Phys. Chem. 5 107... [Pg.215]

Buckingham R A 1938 The classical equation of state of gaseous helium, neon and argon Proc. R. Soc. A 168 264... [Pg.216]

Buckingham R A and Corner J 1947 Tables of second virial and low-pressure Joule-Thompson coefficients for intermolecular potentials with exponential repulsion Proc. R. Soc. A 189 118... [Pg.216]

If computing time does not play the major role that it did in the early 1980s, the [12-6] Lennard-Jones potential is substituted by a variety of alternatives meant to represent the real situation much better. MM3 and MM4 use a so-called Buckingham potential (Eq. (28)), where the repulsive part is substituted by an exponential function ... [Pg.347]

Additionally to and a third adjustable parameter a was introduced. For a-values between 14 and 15, a form very similar to the Lennard-Jones [12-6] potential can be obtained. The Buckingham type of potential has the disadvantage that it becomes attractive for very short interatomic distances. A Morse potential may also be used to model van der Waals interactions in a PEF, assuming that an adapted parameter set is available. [Pg.347]

Figure 4.18 from Buckingham A D 1959. Molecular Quadrupole Moments. Quarterly/ Reviews of the Chemical Society 13 183-214. Reproduced by permission of The Royal Society of Chemistry. [Pg.19]

Several formulations in which the term in the standard Lennard-Jones formulation is replaced by a theoretically more realistic exponential expression have been proposed. These include the Buckingham potential ... [Pg.227]

Fig. 4.36 A drawback of the Buckingham potential is that it becomes steeply attractive at short distances. Fig. 4.36 A drawback of the Buckingham potential is that it becomes steeply attractive at short distances.
The range of systems that have been studied by force field methods is extremely varied. Some force fields liave been developed to study just one atomic or molecular sp>ecies under a wider range of conditions. For example, the chlorine model of Rodger, Stone and TUdesley [Rodger et al 1988] can be used to study the solid, liquid and gaseous phases. This is an anisotropic site model, in which the interaction between a pair of sites on two molecules dep>ends not only upon the separation between the sites (as in an isotropic model such as the Lennard-Jones model) but also upon the orientation of the site-site vector with resp>ect to the bond vectors of the two molecules. The model includes an electrostatic component which contciins dipwle-dipole, dipole-quadrupole and quadrupole-quadrupole terms, and the van der Waals contribution is modelled using a Buckingham-like function. [Pg.249]

Fowler P W and A D Buckingham 1991. Central or Distributed Multipole Moments Electrostatic Models of Aromatic Dimers. Chemical Physics Letters 176 11-18. [Pg.267]

I. W. Southon and J. Buckingham, Diainnary of Alkaloids, Chapman and Hall. London, 1989, J. E. Saxton (ed.), Chem. llelerocycL Cmpds. 25. SuppI-IV (1994). [Pg.6]

J. Buckingham, Dictionary of Organic Compounds 5th ed.. Chapman and Hall, New York, 1982. [Pg.474]

M. J. Buckingham, Moise in Electronic Devices and Systems, Halsted Press, New York, 1983. [Pg.437]

Atochem Portland, Oreg. 22 Albright Wilson Buckingham, Que. 128... [Pg.499]

This result was first discussed by Buckingham (8) and stated in its present form by Langhaar (23). It states in effect that an equation is dimensionally homogeneous if and only if it can be reduced to a relationship among a complete set of B-numbers. Buckingham s result (8) was originally stated as Theorem 2. [Pg.106]

In terms of linear vector space, Buckingham s theorem (Theorem 2) simply states that the null space of the dimensional matrix has a fixed dimension, and Van Driest s rule (Theorem 3) then specifies the nullity of the dimensional matrix. The problem of finding a complete set of B-numbers is equivalent to that of computing a fundamental system of solutions of equation 13 called a complete set of B-vectors. For simplicity, the matrix formed by a complete set of B-vectors will be called a complete B-matrix. It can also be demonstrated that the choice of reference dimensions does not affect the B-numbers (22). [Pg.106]

Example Buckingham Pi Method—Heat-Transfer Film Coefficient It is desired to determine a complete set of dimensionless groups with which to correlate experimental data on the film coefficient of heat transfer between the walls of a straight conduit with circular cross section and a fluid flowing in that conduit. The variables and the dimensional constant believed to be involved and their dimensions in the engineering system are given below ... [Pg.507]


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Application of the Vaschy-Buckingham theorem

Buckingham Fowler interaction potential

Buckingham II theorem

Buckingham Pi theory

Buckingham effect

Buckingham equation

Buckingham formula

Buckingham function

Buckingham method

Buckingham n theorem

Buckingham nonbonding potential functions

Buckingham pi method

Buckingham potential

Buckingham potential model

Buckingham potential, interaction

Buckingham s formula

Buckingham term

Buckingham, Duke

Buckingham-Fowler model

Buckingham-PI theorem

Buckingham-Reiner equation

Buckingham-Stephens theory

Buckingham-type potential functions

Buckinghams Method - Procedure

Buckinghams n theorem

Buckingham’s n theorem

Buckingham’s pi theorem

Buckingham’s theorem

Dimensional analysis Buckingham method

Kirkwood-Buckingham relation

Mass Transfer in Turbulent Flow Dimensional Analysis and the Buckingham n Theorem

Modified Buckingham potential

Pair Buckingham

Principle of dimensional analysis, Vaschy-Buckingham theorem

The Buckingham Method

The Buckingham n Theorem

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