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Semiempirical GGA‐type density functional constructed with a long‐range dispersion correction
Abstract A new density functional (DF) of the generalized gradient approximation (GGA) type for general chemistry applications termed B97‐D is proposed. It is based on Becke's p...
Preparation of Graphitic Oxide
ADVERTISEMENT RETURN TO ISSUEPREVArticleNEXTPreparation of Graphitic OxideWilliam S. Hummers Jr. and Richard E. OffemanCite this: J. Am. Chem. Soc. 1958, 80, 6, 1339Publication ...
Particle mesh Ewald: An <i>N</i>⋅log(<i>N</i>) method for Ewald sums in large systems
An N⋅log(N) method for evaluating electrostatic energies and forces of large periodic systems is presented. The method is based on interpolation of the reciprocal space Ewald su...
The Pricing of Options and Corporate Liabilities
If options are correctly priced in the market, it should not be possible to make sure profits by creating portfolios of long and short positions in options and their underlying ...
Institutions, Institutional Change and Economic Performance
Continuing his groundbreaking analysis of economic structures, Douglass North develops an analytical framework for explaining the ways in which institutions and institutional ch...
Society and the Adolescent Self-Image
Over 5,000 high-school students of different social, religious, and national backgrounds were studied to show the effects of family experience, neighborhoods, minority groups, e...
Cancer incidence and mortality worldwide: Sources, methods and major patterns in GLOBOCAN 2012
Estimates of the worldwide incidence and mortality from 27 major cancers and for all cancers combined for 2012 are now available in the GLOBOCAN series of the International Agen...
Econometric Analysis of Cross Section and Panel Data
The second edition of this acclaimed graduate text provides a unified treatment of two methods used in contemporary econometric research, cross section and data panel methods. B...
The Genome Analysis Toolkit: A MapReduce framework for analyzing next-generation DNA sequencing data
Next-generation DNA sequencing (NGS) projects, such as the 1000 Genomes Project, are already revolutionizing our understanding of genetic variation among individuals. However, t...
A Simplex Method for Function Minimization
A method is described for the minimization of a function of n variables, which depends on the comparison of function values at the (n + 1) vertices of a general simplex, followe...