Search

28 Oct 2002: R. T. Paine and L. G. Sneddon, CHEMTECH 24, 29 (1994).

28 Oct 2002: Next: Why boron nitride polymers? Up: Material design from first Previous: Material design from first. Introduction. Recent advances in synthesis and nanofabrication technologies have dramatically broadened the range of materials that can be

11 May 2002: Yun et al. [19]. 1991. Seebeck(e). Open and closed. 0.01. 0.24, 500. ... Flow-type(d). closed. 0.1. 1.2, 440. Ota et al. [24]. 1992. Flow-type.

28 Oct 2002: Springborg M 2001 Chem. Phys. Lett. 339, 389. 24. ... Paine RT and Sneddon LG 1994 CHEMTECH 24 29. 35.

29 Oct 2002: 24). where. Similarly, we define a supplementary operator,. , that performs the same task, but for the fine grid representation:.

24 Jan 2002: f̃(ω) =. dt f(t)eiωt ; f(t) =1. 2π. dω f̃(ω)eiωt (24). ... G(x,t) = dωdk. (2π2). ei(kxωt). ρω2 iγω Tk2(29). A. (24 January 2002) (TURN OVER.

31 Oct 2002: In the same way, the calculation of the total energy gradient with respect to the NGWF expansion coefficients of equation (24) can be calculated in the FFT box provided we use ... Therefore all we have to do is to substitute. of equation (24) by.

31 Oct 2002: J. Quantum Chem. 65, 453 (1997). 24.

31 Oct 2002: 24). where. is the weight associated with each grid point. Here a contravariant-to-covariant tensor correction is needed when this gradient is used to calculate the search direction during a ... restricted to its spherical region. For this reason in

28 Oct 2002: BN systems. Benzene. 2.24. 1.99. Borazine. PPV. 2.22. 1.98. PVB. PPP.