These tools will no longer be maintained as of December 31, 2024. Archived website can be found here. PubMed4Hh GitHub repository can be found here. Contact NLM Customer Service if you have questions.
121 related articles for article (PubMed ID: 31102944)
21. Density-functional approaches to noncovalent interactions: a comparison of dispersion corrections (DFT-D), exchange-hole dipole moment (XDM) theory, and specialized functionals. Burns LA; Vázquez-Mayagoitia A; Sumpter BG; Sherrill CD J Chem Phys; 2011 Feb; 134(8):084107. PubMed ID: 21361527 [TBL] [Abstract][Full Text] [Related]
22. Density functional steric analysis of linear and branched alkanes. Ess DH; Liu S; De Proft F J Phys Chem A; 2010 Dec; 114(49):12952-7. PubMed ID: 21086970 [TBL] [Abstract][Full Text] [Related]
23. Thermochemistry and kinetic analysis for the conversion of furfural to valuable added products. Pino N; López D; Espinal JF J Mol Model; 2019 Jan; 25(1):26. PubMed ID: 30612236 [TBL] [Abstract][Full Text] [Related]
24. Thermochemical analysis and kinetics aspects for a chemical model for camphene ozonolysis. Oliveira RC; Bauerfeldt GF J Chem Phys; 2012 Oct; 137(13):134306. PubMed ID: 23039598 [TBL] [Abstract][Full Text] [Related]
25. A one-pot method for the selective conversion of hemicellulose from crop waste into C5 sugars and furfural by using solid acid catalysts. Sahu R; Dhepe PL ChemSusChem; 2012 Apr; 5(4):751-61. PubMed ID: 22411884 [TBL] [Abstract][Full Text] [Related]
26. Zn Coordination Chemistry: Development of Benchmark Suites for Geometries, Dipole Moments, and Bond Dissociation Energies and Their Use To Test and Validate Density Functionals and Molecular Orbital Theory. Amin EA; Truhlar DG J Chem Theory Comput; 2008 Jan; 4(1):75-85. PubMed ID: 26619981 [TBL] [Abstract][Full Text] [Related]
28. Studies on the structure, stability, and spectral signatures of hydride ion-water clusters. Prakash M; Gopalsamy K; Subramanian V J Chem Phys; 2011 Dec; 135(21):214308. PubMed ID: 22149793 [TBL] [Abstract][Full Text] [Related]
29. New lipid family that forms inverted cubic phases in equilibrium with excess water: molecular structure-aqueous phase structure relationship for lipids with 5,9,13,17-tetramethyloctadecyl and 5,9,13,17-tetramethyloctadecanoyl chains. Yamashita J; Shiono M; Hato M J Phys Chem B; 2008 Oct; 112(39):12286-96. PubMed ID: 18774852 [TBL] [Abstract][Full Text] [Related]
30. Quantum-chemical predictions of pKa's of thiols in DMSO. Yu HZ; Yang YM; Zhang L; Dang ZM; Hu GH J Phys Chem A; 2014 Jan; 118(3):606-22. PubMed ID: 24387165 [TBL] [Abstract][Full Text] [Related]
31. Heats of Formation of Medium-Sized Organic Compounds from Contemporary Electronic Structure Methods. Minenkov Y; Wang H; Wang Z; Sarathy SM; Cavallo L J Chem Theory Comput; 2017 Aug; 13(8):3537-3560. PubMed ID: 28636351 [TBL] [Abstract][Full Text] [Related]
32. Bond dissociation energies of ethyl valerate and tripropionin. Mukeba CT; Isamura BK; Mudogo V; Katshiatshia HM; Muya JT J Mol Model; 2023 Jul; 29(8):261. PubMed ID: 37482544 [TBL] [Abstract][Full Text] [Related]
33. Conformational properties of 1-silyl-1-silacyclohexane, C(5)H(10)SiHSiH(3): gas electron diffraction, low-temperature NMR, temperature-dependent Raman spectroscopy, and quantum chemical calculations (&). Wallevik SO; Bjornsson R; Kvaran A; Jonsdottir S; Arnason I; Belyakov AV; Baskakov AA; Hassler K; Oberhammer H J Phys Chem A; 2010 Feb; 114(5):2127-35. PubMed ID: 20073516 [TBL] [Abstract][Full Text] [Related]
34. Structural and relative energy assessments of DFT functionals and the MP2 method to describe the gas phase methylation of nitronates: [R(1)R(2)CNO2](-) + CH3I. Mahmood A; Longo RL Phys Chem Chem Phys; 2016 Jun; 18(25):17062-70. PubMed ID: 27299164 [TBL] [Abstract][Full Text] [Related]
35. The MC-DFT approach including the SCS-MP2 energies to the new Minnesota-type functionals. Liu PC; Hu WP J Comput Chem; 2014 Aug; 35(21):1560-7. PubMed ID: 24923999 [TBL] [Abstract][Full Text] [Related]
36. A one-pot synthesis of 1,6,9,13-tetraoxadispiro(4.2.4.2)tetradecane by hydrodeoxygenation of xylose using a palladium catalyst. Jackson MA; Blackburn JA; Price NP; Vermillion KE; Peterson SC; Ferrence GM Carbohydr Res; 2016 Sep; 432():9-16. PubMed ID: 27341396 [TBL] [Abstract][Full Text] [Related]
37. Acid-catalyzed conversion of xylose in methanol-rich medium as part of biorefinery. Hu X; Lievens C; Li CZ ChemSusChem; 2012 Aug; 5(8):1427-34. PubMed ID: 22730169 [TBL] [Abstract][Full Text] [Related]
38. Dissolution thermochemistry of alkali metal dianion salts (M2X1, M = Li+, Na+, and K+ with X = CO3(2-), SO4(2-), C8H8(2-), and B12H12(2-)). Lee TB; McKee ML Inorg Chem; 2011 Nov; 50(22):11412-22. PubMed ID: 22022888 [TBL] [Abstract][Full Text] [Related]
39. Synthesis of furfural from xylose, xylan, and biomass using AlCl3·6H2O in biphasic media via xylose isomerization to xylulose. Yang Y; Hu CW; Abu-Omar MM ChemSusChem; 2012 Feb; 5(2):405-10. PubMed ID: 22315196 [TBL] [Abstract][Full Text] [Related]
40. Comparative DFT study of the spin trapping of methyl, mercapto, hydroperoxy, superoxide, and nitric oxide radicals by various substituted cyclic nitrones. Villamena FA; Hadad CM; Zweier JL J Phys Chem A; 2005 Mar; 109(8):1662-74. PubMed ID: 16833491 [TBL] [Abstract][Full Text] [Related] [Previous] [Next] [New Search]