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描述: Fortran 90 code to perform electronic structure calculations of solids using density functional theory (DFT). It is based on the full-potential (linearized) augmented plane-wave ((L)APW) + local orbitals (lo) method, among the ...
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Informasjon om det å studere kjemi, forskningsprosjekter og undervisning. Underlagt Matematisk-naturvitenskapelige fakultet.
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Fortran 90 library of forward and gradient routines for fast radiative transfer calculations for the advanced infrared sounders.
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An ab initio quantum chemistry package GAMESS. Developed by the Mark Gordon research group at Iowa State University. Site is not GAMESS-Uk.
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Ab-initio Fortran 90 programs for molecular electronic structure calculations, designed and maintained by H.-J. Werner and P. J. Knowles.
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Jay Ponder Lab Home Page
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Fortran 90 program for ab initio virtual experimentation on a range of systems. Electrons are described quantum-mechanically within the Density-Functional Theory rong>... rong>
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Study undergraduate, postgraduate or PhDs in chemistry, chemical biology, colour science and chemical process research and development. Learn at University of Leeds rong>... rong>
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