spartan'16 computational program (Wavefunction inc)
90
Structured Review
Wavefunction inc
spartan'16 computational program
Spartan'16 Computational Program, 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/computational+program+spartan++16/pm32058710-33-131-134
Average 90 stars, based on 1 article reviews
Spartan'16 Computational Program, 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/computational+program+spartan++16/pm32058710-33-131-134
Average 90 stars, based on 1 article reviews
spartan'16 computational program - by Bioz Stars,
2026-10
90/100 stars
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other:Article Title: Electrokinetic Transport of Methanol and Lithium Ions Through a 2.25-nm-Diameter Carbon Nanotube Nanopore Article Snippet: The flow enhancement and molecular selectivity of carbon nanotubes make them unique nanopore conduits.. In this study, we examine separately the transport of Li and methanol through a 2.25 nm-diameter, 200-μm long singlewalled carbon nanotube (SWNT).. Threshold voltages of 200 mV and 700 mV were found for Li and methanol, respectively, to exhibit pore blocking. Article Title: Computational Estimation of the Gas-Phase and Aqueous Acidities of Carbon Acids. Article Snippet: Carbon acids are compounds which ionize by dissociating along carbon-hydrogen bonds.. Although commonly noted for the extremely low acidities of some members of this class, these compounds in fact display a wide range of pKas, and upon proper substitution can even form strong acids.. This study employs density functional theory to estimate the gas-phase acidities (ΔG0s) of these compounds and applies a quantitative structure-activity relationship (QSAR) method at the B3LYP/631+G** level with the SM8 aqueous solvent model to estimate their aqueous pKas. Article Title: Transport of Amino Acid Cations through a 2.25-nm-Diameter Carbon Nanotube Nanopore: Electrokinetic Motion and Trapping/Desorption Article Snippet: In this study, we examine the individual ionic transport of four different amino acid cations through a 2.25-nmdiameter, 200-μm-long single-walled carbon nanotube (SWNT) and compare them to previous work on Li and methanol in the same SWNT.. For the amino acids, the pore-blocking current was found to increase with applied field, from 1 to 100 pA.. The observed differences in pore-blocking currents of the different amino acids are mostly explained by a simple model of the volumes of the blockers. |