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assessment of cold fusion research
www.tcm.phy.cam.ac.uk/~bdj10/papers/storms/review8.html11 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. -
Bibliography
www.tcm.phy.cam.ac.uk/~pdh1001/papers/paper13/node11.html28 Oct 2002: Springborg M 2001 Chem. Phys. Lett. 339, 389. 24. ... Paine RT and Sneddon LG 1994 CHEMTECH 24 29. 35. -
Energetics
www.tcm.phy.cam.ac.uk/~pdh1001/papers/paper13/node5.html28 Oct 2002: BN systems. Benzene. 2.24. 1.99. Borazine. PPV. 2.22. 1.98. PVB. PPP. -
Bibliography
www.tcm.phy.cam.ac.uk/~pdh1001/papers/paper11/node10.html31 Oct 2002: J. Quantum Chem. 65, 453 (1997). 24. -
Bibliography
www.tcm.phy.cam.ac.uk/~pdh1001/papers/paper8/node7.html31 Oct 2002: Johns Hopkins University Press, Baltimore, 1996). 24. -
Bibliography
www.tcm.phy.cam.ac.uk/~pdh1001/papers/paper10/node20.html29 Oct 2002: Next: About this document. Up: Total-energy calculations on a Previous: Basis for the fine. Bibliography. Payne, M. C., Teter, M. P., Allan, D. C., Arias, T. A., and Joannopolous, J. D.,. Rev. Mod. Phys. 64 (1992) 1045. Kohn, W. and Sham, L. J.,. -
Introduction
www.tcm.phy.cam.ac.uk/~pdh1001/papers/paper13/node1.html28 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 -
The FFT box technique
www.tcm.phy.cam.ac.uk/~pdh1001/papers/paper11/node4.html31 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. -
Introduction
www.tcm.phy.cam.ac.uk/~pdh1001/papers/paper11/node1.html31 Oct 2002: Next: Charge density and total Up: Nonorthogonal generalized Wannier function Previous: Nonorthogonal generalized Wannier function. Introduction. The pseudopotential plane-wave method for density-functional theory (DFT) calculations has been -
The NGWF pseudopotential plane-wave method in practice
www.tcm.phy.cam.ac.uk/~pdh1001/papers/paper11/node5.html31 Oct 2002: The equilibrium bond length for this case differs by 3.34% from CASTEP, as compared to -1.24% for the.
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