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.
4. Thermodynamic and ab initio analysis of the controversial enthalpy of formation of formaldehyde. da Silva G; Bozzelli JW; Sebbar N; Bockhorn H Chemphyschem; 2006 May; 7(5):1119-26. PubMed ID: 16596698 [TBL] [Abstract][Full Text] [Related]
6. Heats of formation of diphosphene, phosphinophosphinidene, diphosphine, and their methyl derivatives, and mechanism of the borane-assisted hydrogen release. Matus MH; Nguyen MT; Dixon DA J Phys Chem A; 2007 Mar; 111(9):1726-36. PubMed ID: 17298044 [TBL] [Abstract][Full Text] [Related]
7. Thermochemistry of the fluoroformyloxyl radical: a computational study based on coupled cluster theory. Breidung J; Thiel W J Phys Chem A; 2006 Feb; 110(4):1575-85. PubMed ID: 16435819 [TBL] [Abstract][Full Text] [Related]
8. Enthalpies of formation, bond dissociation energies, and molecular structures of the n-aldehydes (acetaldehyde, propanal, butanal, pentanal, hexanal, and heptanal) and their radicals. da Silva G; Bozzelli JW J Phys Chem A; 2006 Dec; 110(48):13058-67. PubMed ID: 17134166 [TBL] [Abstract][Full Text] [Related]
9. Activation energy for the disproportionation of HBrO2 and estimated heats of formation of HBrO2 and BrO2. Agreda B JA; Field RJ J Phys Chem A; 2006 Jun; 110(25):7867-73. PubMed ID: 16789774 [TBL] [Abstract][Full Text] [Related]
10. Thermochemistry, bond energies, and internal rotor potentials of dimethyl tetraoxide. da Silva G; Bozzelli JW J Phys Chem A; 2007 Nov; 111(47):12026-36. PubMed ID: 17983209 [TBL] [Abstract][Full Text] [Related]
11. Heats of formation of beryllium, boron, aluminum, and silicon re-examined by means of W4 theory. Karton A; Martin JM J Phys Chem A; 2007 Jul; 111(26):5936-44. PubMed ID: 17567115 [TBL] [Abstract][Full Text] [Related]
12. Active Thermochemical Tables: accurate enthalpy of formation of hydroperoxyl radical, HO2. Ruscic B; Pinzon RE; Morton ML; Srinivasan NK; Su MC; Sutherland JW; Michael JV J Phys Chem A; 2006 Jun; 110(21):6592-601. PubMed ID: 16722670 [TBL] [Abstract][Full Text] [Related]
13. Pathways for the OH + Br2 → HOBr + Br and HOBr + Br → HBr + BrO Reactions. Wang H; Qiu Y; Schaefer HF J Phys Chem A; 2016 Feb; 120(5):805-16. PubMed ID: 26766412 [TBL] [Abstract][Full Text] [Related]
14. Thermodynamic properties of the XO(2), X(2)O, XYO, X(2)O(2), and XYO(2) (X, Y = Cl, Br, and I) isomers. Grant DJ; Garner EB; Matus MH; Nguyen MT; Peterson KA; Francisco JS; Dixon DA J Phys Chem A; 2010 Apr; 114(12):4254-65. PubMed ID: 20187618 [TBL] [Abstract][Full Text] [Related]
15. Prediction of hydrocarbon enthalpies of formation by various thermochemical schemes. Wilson BR; DeYonker NJ; Wilson AK J Comput Chem; 2012 Sep; 33(25):2032-42. PubMed ID: 22696206 [TBL] [Abstract][Full Text] [Related]
16. Methyl cation affinities of rare gases and nitrogen and the heat of formation of diazomethane. Dixon DA; de Jong WA; Peterson KA; McMahon TB J Phys Chem A; 2005 May; 109(18):4073-80. PubMed ID: 16833729 [TBL] [Abstract][Full Text] [Related]
17. Toward subchemical accuracy in computational thermochemistry: focal point analysis of the heat of formation of NCO and [H,N,C,O] isomers. Schuurman MS; Muir SR; Allen WD; Schaefer HF J Chem Phys; 2004 Jun; 120(24):11586-99. PubMed ID: 15268193 [TBL] [Abstract][Full Text] [Related]
18. Reliable predictions of the thermochemistry of boron-nitrogen hydrogen storage compounds: BxNxHy, x = 2, 3. Matus MH; Anderson KD; Camaioni DM; Autrey ST; Dixon DA J Phys Chem A; 2007 May; 111(20):4411-21. PubMed ID: 17444621 [TBL] [Abstract][Full Text] [Related]
19. Experimental study of the rate of OH + HO2 --> H2O + O2 at high temperatures using the reverse reaction. Hong Z; Vasu SS; Davidson DF; Hanson RK J Phys Chem A; 2010 May; 114(17):5520-5. PubMed ID: 20392098 [TBL] [Abstract][Full Text] [Related]
20. W4 theory for computational thermochemistry: In pursuit of confident sub-kJ/mol predictions. Karton A; Rabinovich E; Martin JM; Ruscic B J Chem Phys; 2006 Oct; 125(14):144108. PubMed ID: 17042580 [TBL] [Abstract][Full Text] [Related] [Next] [New Search]