Amsterdam Density Functional 2005.
The article reviews the software Amsterdam Density Functional (ADF) 2005, an electronic structure package primarily developed by chemistry groups in Amsterdam. The program allows calculation of ground- and excited-state energies, as well as harmonic vibrational frequencies, optimized structures, and...
| Published in: | Journal of the American Chemical Society Vol. 128; no. 9; pp. 3103 - 3104 |
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| Format: | Product Review |
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American Chemical Society
3/8/2006
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| Online Access: | View this record in EBSCOhost |
| fields | @attributes: recordID: 1 pdfLink: plink: https://search.ebscohost.com/login.aspx?direct=true&db=hlh&AN=20426337&site=ehost-live header: @attributes: shortDbName: hlh uiTerm: 20426337 longDbName: Humanities International Complete uiTag: AN controlInfo: bkinfo: jinfo: jid: 00027863 ACS jtl: Journal of the American Chemical Society issn: 00027863 maglogo: N pubinfo: dt: 3/8/2006 vid: 128 iid: 9 pid: 997 pub: American Chemical Society artinfo: ui: 20426337 10.1021/ja0598311 ppf: 3103 ppct: 1 formats: tig: atl: Amsterdam Density Functional 2005. aug: au: Bomble, Yannick J. affil: University of Texas at Austin su: Computer software Research teams Electronic structure Amsterdam (Netherlands) Netherlands sug: subj: Amsterdam (Netherlands) Netherlands Computer software Research teams Electronic structure ab: The article reviews the software Amsterdam Density Functional (ADF) 2005, an electronic structure package primarily developed by chemistry groups in Amsterdam. The program allows calculation of ground- and excited-state energies, as well as harmonic vibrational frequencies, optimized structures, and even molecular properties such as nuclear magnetic resonance (NMR) spin coupling or NMR spin-spin coupling. pubtype: Academic Journal doctype: Product Review src: R language: English refInfo: copyright: @attributes: flag: Y dt: @attributes: year: 2006 holdings: @attributes: islocal: N |
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