computer program spartan (Wavefunction inc)
90
Structured Review
Wavefunction inc
computer program spartan
Computer Program Spartan, supplied by Wavefunction inc, used in various techniques. Bioz Stars score: 90/100, based on 1 PubMed citations. ZERO BIAS - scores, article reviews, protocol conditions and more
https://www.bioz.com/product/computational+program+spartan/spartan+computer+program/us07527733-407-35-50
Average 90 stars, based on 1 article reviews
Computer Program Spartan, supplied by Wavefunction inc, used in various techniques. Bioz Stars score: 90/100, based on 1 PubMed citations. ZERO BIAS - scores, article reviews, protocol conditions and more
https://www.bioz.com/product/computational+program+spartan/spartan+computer+program/us07527733-407-35-50
Average 90 stars, based on 1 article reviews
computer program spartan - by Bioz Stars,
2026-11
90/100 stars
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other:Article Title: Ion-Bearing Propellers: Alkali Metal Complexes of Tris(2-alkoxyphenyl)amine Ionophores. Article Snippet: NMR spectroscopic studies reveal that binding of Na+ by tris(2-methoxyphenyl)amine (3) brings two of these tripod ethers together about the metal ion; the related double-tripod-ether ionophore 1,2-bis[2-(bis(2-methoxyphenyl)amino)phenoxy]ethane (4), in which two triarylamines are covalently attached, binds LiI, LiBPh4, NaI, NaBPh4, and KB(4-ClPh)4.. Dynamic NMR puts lower limits on binding free energies of 4 for Na+ (71.8 kJ mol-1) and K+ (66.8 kJ mol-1) ions.. X-ray studies of 32‚NaBPh4, 4‚NaBPh4, 4‚NaB(4-ClPh)4, and 4‚KB(4ClPh)4‚CH3NO2 show eight-coordinate M+ ions bound between crystallographically independent, homochiral triarylamine tripod ethers in structures reminiscent of alkali metal [2.2.2] cryptates. Article Title: Chelating agents for heavy metal removal Article Snippet: Quantum mechanical calculations of the molecular structures of the C-esters (using both the semi-empirical level of theory, and the Hartree-Fock (self-consistent field) method with a 3-21G* basis set and geometry optimizations, using, for example, a computer program such as GAUSSIAN, obtainable from Gaussian, Inc., Wallingford, Conn., or |