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Primary view of Abraham Model Descriptors for Melatonin; Prediction of Solution, Biological and Thermodynamic Properties
Liu, Xiangli; Abraham, M. H. (Michael H.) & Acree, William E. (William Eugene)
January 27, 2022
Primary view of Abraham Model Linear Free Energy Relationships as a Means of Extending Solubility Studies to Include the Estimation of Solute Solubilities in Additional Organic Solvents
Acree, William E. (William Eugene); Horton, Melissa Y.; Higgins, Elizabeth & Abraham, M. H. (Michael H.)
July 21, 2016
Primary view of Abraham Solvation Parameter Model: Calculation of L Solute Descriptors for Large C11 to C42 Methylated Alkanes from Measured Gas–Liquid Chromatographic Retention Data
Wu, Emily; Sinha, Sneha; Yang, Chelsea; Zhang, Miles & Acree, William E. (William Eugene)
July 5, 2022
Primary view of Abraham Solvation Parameter Model: Examination of Possible Intramolecular Hydrogen-Bonding Using Calculated Solute Descriptors
Sinha, Sneha; Yang, Chelsea; Wu, Emily & Acree, William E. (William Eugene)
July 24, 2022
Primary view of Abraham Solvation Parameter Model: Prediction of Enthalpies of Vaporization and Sublimation of Mono-Methyl Branched Alkanes Using Measured Gas Chromatographic Data
Liu, Grace; Eddula, Shrika; Jiang, Carina; Huang, Jennifer; Tirumala, Priya; Xu, Angelina et al.
June 18, 2020
Primary view of Absorption and emission modulation in a MoS2–GaN (0001) heterostructure by interface phonon–exciton coupling
Poudel, Yuba; Sławińska, Jagoda; Gopal, Priya; Seetharaman, Sairaman; Hennighausen, Zachariah; Kar, Swastik et al.
December 1, 2019
Primary view of Accelerated reliability testing of Cu-Al bimetallic contact by a micropattern corrosion testing platform for wire bond device application
Ashok Kumar, Goutham Isaac; Alptekin, John; Caperton, Joshua; Salunke, Ashish & Chyan, Oliver Ming-Ren
March 26, 2021
Primary view of Accurate Enthalpies of Formation of Alkali and Alkaline Earth Metal Oxides and Hydroxides: Assessment of the Correlation Consistent Composite Approach (ccCA)
Ho, Dustin S.; DeYonker, Nathan J.; Cundari, Thomas R., 1964- & Wilson, Angela K.
July 12, 2006
Primary view of Accurate quantum chemical energies for tetrapeptide conformations: why MP2 data with an insufficient basis set should be handled with caution
Goerigk, Lars; Karton, Amir; Martin, Jan M. L. & Radom, Leo
January 29, 2013
Primary view of Acetaldehyde oxidation at elevated pressure
Hashemi, Hamid; Christensen, Jakob M.; Marshall, Paul & Glarborg, Peter
April 10, 2021
Primary view of Acid-Base Indicators: Transition Colours and pH Ranges Determined in Select Aqueous-Organic Mixed Solvents
Tucker, Sheryl A. (Sheryl Ann); Bates, Heather C. & Acree, William E. (William Eugene)
March 28, 1995
Primary view of Activation of Carbon-Hydrogen and Hydrogen-Hydrogen Bonds by Copper-Nitrenes: A Comparison of Density Functionality Theory with Single- and Multireference Correlation Consistent Composite Approaches
Tekarli, Sammer M.; Williams, T. Gavin & Cundari, Thomas R., 1964-
October 19, 2009
Primary view of Activation of Carbon-Hydrogen Bonds via 1,2-Addition across M-X (X = OH or NH2) Bonds of d6 Transition Metals as a Potential Key Step in Hydrocarbon Functionalization: A Computational Study
Cundari, Thomas R., 1964-; Grimes, Thomas V. & Gunnoe, T. Brent
October 6, 2007
Primary view of Activation of water on the TiO2 (110) surface: The case of Ti adatoms
Miao, Meng; Liu, Yingchun; Wang, Qi; Wu, Tao; Huang, Liping; Gubbins, Keith E. et al.
February 8, 2012
Primary view of Activity Coefficients at Infinite Dilution for Organic Compounds Dissolved in 1-Alkyl-1-methylpyrrolidinium Bis(trifluoromethylsulfonyl)imide Ionic Liquids Having Six-, Eight-, and Ten-Carbon Alkyl Chains
Acree, William E. (William Eugene); Baker, Gary A.; Revelli, Anne-Laure; Moïse, Jean-Charles & Mutelet, Fabrice
October 31, 2012
Primary view of Activity Coefficients at Infinite Dilution for Organic Solutes Dissolved in Three 1-Alkyl-1-methylpyrrolidinium Bis(trifluoromethylsulfonyl)imide Ionic Liquids Bearing Short Linear Alkyl Side Chains of Three to Five Carbons
Mutelet, Fabrice; Hassan, El-Sayed R. E.; Stephens, Timothy W.; Acree, William E. (William Eugene) & Baker, Gary A.
July 30, 2013
Primary view of Activity Coefficients at Infinite Dilution of Organic Compounds in Four New Imidazolium-Based Ionic Liquids
Moïse, Jean-Charles; Mutelet, Fabrice; Jaubert, Jean-Noël; Grubbs, Laura M.; Acree, William E. (William Eugene) & Baker, Gary A.
June 2, 2011
Primary view of Activity Coefficients at Infinite Dilution of Organic Compounds in Trihexyl(tetradecyl)phosphonium Bis(trifluoromethylsulfonyl)imide Using Inverse Gas Chromatography
Revelli, Anne-Laure; Sprunger, Laura M.; Gibbs, Jennifer; Acree, William E. (William Eugene); Baker, Gary A. & Mutelet, Fabrice
February 2, 2009
Primary view of Ad-dimers on Strained Carbon Nanotubes: A New Route for Quantum Dot Formation?
Orlikowski, Daniel; Buongiorno Nardelli, Marco; Bernholc, Jerry & Roland, Christopher
November 15, 1999
Primary view of Adsorption and molecular siting of COâ‚‚, water, and other gases in the superhydrophobic, flexible pores of FMOF-1 from experiment and simulation
Moghadam, Peyman Z.; Ivy, Joshua F.; Arvapally, Ravi K.; dos Santos, Antonio M.; Pearson, John C.; Zhang, Li et al.
March 9, 2017
Primary view of Advanced modeling of materials with PAOFLOW 2.0: New features and software design
Cesaroli, Frank T.; Supka, Andrew; Jayaraj, Anooja; Costa, Marcio; Siloi, Ilaria; Sławińska, Jagoda et al.
September 2, 2021
Primary view of AFLOW-QHA3P: Robust and automated method to compute thermodynamic properties of solids
Nath, Pinku; Usanmaz, Demet; Hicks, David; Oses, Corey; Fornari, Marco; Buongiorno Nardelli, Marco et al.
July 8, 2019
Primary view of Aggregation-induced phosphorescence sensitization in two heptanuclear and decanuclear gold–silver sandwich clusters
Lu, Zhou; Yang, Yu-Jie; Ni, Wen-Xiu; Li, Mian; Zhao, Yifang; Huang, Yong-Liang et al.
October 30, 2020
Primary view of Air to Blood Distribution of Volatile Organic Compounds: A Linear Free Energy Analysis
Abraham, M. H. (Michael H.); Ibrahim, Adam & Acree, William E. (William Eugene)
April 23, 2005
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