Literature DB >> 10060444

van der Waals interactions in density-functional theory.

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Abstract

Year:  1996        PMID: 10060444     DOI: 10.1103/PhysRevLett.76.102

Source DB:  PubMed          Journal:  Phys Rev Lett        ISSN: 0031-9007            Impact factor:   9.161


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  12 in total

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2.  Accurate van der Waals coefficients from density functional theory.

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4.  Evaluating dispersion forces for optimization of van der Waals complexes using a non-empirical functional.

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Journal:  Philos Trans A Math Phys Eng Sci       Date:  2016-11-13       Impact factor: 4.226

Review 5.  The expanded genetic alphabet.

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9.  Heteroaromatic π-stacking energy landscapes.

Authors:  Roland G Huber; Michael A Margreiter; Julian E Fuchs; Susanne von Grafenstein; Christofer S Tautermann; Klaus R Liedl; Thomas Fox
Journal:  J Chem Inf Model       Date:  2014-05-09       Impact factor: 4.956

10.  Analytical nuclear gradients for the range-separated many-body dispersion model of noncovalent interactions.

Authors:  Martin A Blood-Forsythe; Thomas Markovich; Robert A DiStasio; Roberto Car; Alán Aspuru-Guzik
Journal:  Chem Sci       Date:  2015-10-27       Impact factor: 9.825

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