456 related articles for article (PubMed ID: 18785698)
21. Structures, internal rotor potentials, and thermochemical properties for a series of nitrocarbonyls, nitroolefins, corresponding nitrites, and their carbon centered radicals.
Snitsiriwat S; Asatryan R; Bozzelli JW
J Phys Chem A; 2011 Dec; 115(47):13921-30. PubMed ID: 22010966
[TBL] [Abstract][Full Text] [Related]
22. Ab initio calculation of inner-sphere reorganization energies of arenediazonium ion couples.
Weaver MN; Janicki SZ; Petillo PA
J Org Chem; 2001 Feb; 66(4):1138-45. PubMed ID: 11312940
[TBL] [Abstract][Full Text] [Related]
23. o-Quinone methide as alkylating agent of nitrogen, oxygen, and sulfur nucleophiles. The role of H-bonding and solvent effects on the reactivity through a DFT computational study.
Di Valentin C; Freccero M; Zanaletti R; Sarzi-Amadè M
J Am Chem Soc; 2001 Aug; 123(34):8366-77. PubMed ID: 11516286
[TBL] [Abstract][Full Text] [Related]
24. Energetics of the N-O bonds in 2-hydroxyphenazine-di-N-oxide.
Gomes JR; Sousa EA; Gonçalves JM; Monte MJ; Gomes P; Pandey S; Acree WE; Ribeiro da Silva MD
J Phys Chem B; 2005 Aug; 109(33):16188-95. PubMed ID: 16853057
[TBL] [Abstract][Full Text] [Related]
25. Experimental and computational thermodynamic study of three monofluoronitrobenzene isomers.
Ribeiro da Silva MA; Monte MJ; Lobo Ferreira AI; Oliveira JA; Cimas A
J Phys Chem B; 2010 Jun; 114(23):7909-19. PubMed ID: 20499892
[TBL] [Abstract][Full Text] [Related]
26. Effects of structure on alpha C-H bond enthalpies of amino acid residues: relevance to H transfers in enzyme mechanisms and in protein oxidation.
Rauk A; Yu D; Taylor J; Shustov GV; Block DA; Armstrong DA
Biochemistry; 1999 Jul; 38(28):9089-96. PubMed ID: 10413483
[TBL] [Abstract][Full Text] [Related]
27. Energetics of C-Cl, C-Br, and C-I bonds in haloacetic acids: enthalpies of formation of XCH2COOH (X=CI, Br, I) compounds and the carboxymethyl radical.
Lagoa AL; Diogo HP; Dias MP; Minas da Piedade ME; Amaral LM; Ribeiro da Silva MA; Martinho Simões JA; Guedes RC; Costa Cabral BJ; Schwarz K; Epple M
Chemistry; 2001 Jan; 7(2):483-9. PubMed ID: 11271535
[TBL] [Abstract][Full Text] [Related]
28. Radical formation of amino acid precursors in interstellar regions? Ser, Cys and Asp.
Knowles DJ; Wang T; Bowie JH
Org Biomol Chem; 2010 Nov; 8(21):4934-9. PubMed ID: 20820658
[TBL] [Abstract][Full Text] [Related]
29. Theoretical study of (CH...C)- hydrogen bonds in CH(4-n)X(n) (X = F, Cl; n = 0, 1, 2) systems complexed with their homoconjugate and heteroconjugate carbanions.
Chandra AK; Zeegers-Huyskens T
J Phys Chem A; 2005 Dec; 109(51):12006-13. PubMed ID: 16366655
[TBL] [Abstract][Full Text] [Related]
30. Computational study of the thermochemistry of organophosphorus(III) compounds.
Dorofeeva OV; Moiseeva NF
J Phys Chem A; 2006 Jul; 110(28):8925-32. PubMed ID: 16836456
[TBL] [Abstract][Full Text] [Related]
31. On the mechanism of nitrosoarene-alkyne cycloaddition.
Penoni A; Palmisano G; Zhao YL; Houk KN; Volkman J; Nicholas KM
J Am Chem Soc; 2009 Jan; 131(2):653-61. PubMed ID: 19093864
[TBL] [Abstract][Full Text] [Related]
32. 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]
33. The Intramolecular Hydrogen Bond N-H···S in 2,2'-Diaminodiphenyl Disulfide: Experimental and Computational Thermochemistry.
Ramos F; Flores H; Hernández-Pérez JM; Sandoval-Lira J; Camarillo EA
J Phys Chem A; 2018 Jan; 122(1):239-248. PubMed ID: 29216718
[TBL] [Abstract][Full Text] [Related]
34. Enthalpies of formation, bond dissociation energies and reaction paths for the decomposition of model biofuels: ethyl propanoate and methyl butanoate.
El-Nahas AM; Navarro MV; Simmie JM; Bozzelli JW; Curran HJ; Dooley S; Metcalfe W
J Phys Chem A; 2007 May; 111(19):3727-39. PubMed ID: 17286391
[TBL] [Abstract][Full Text] [Related]
35. Enthalpies of formation and bond dissociation energies of lower alkyl hydroperoxides and related hydroperoxy and alkoxy radicals.
Simmie JM; Black G; Curran HJ; Hinde JP
J Phys Chem A; 2008 Jun; 112(22):5010-6. PubMed ID: 18461912
[TBL] [Abstract][Full Text] [Related]
36. Theoretical study of the substituent effects on the S-H bond dissociation energy and ionization energy of 3-pyridinethiol: Prediction of novel antioxidant.
Nam PC; Nguyen MT; Chandra AK
J Phys Chem A; 2006 Sep; 110(37):10904-11. PubMed ID: 16970388
[TBL] [Abstract][Full Text] [Related]
37. Antioxidant potential of glutathione: a theoretical study.
Fiser B; Szori M; Jójárt B; Izsák R; Csizmadia IG; Viskolcz B
J Phys Chem B; 2011 Sep; 115(38):11269-77. PubMed ID: 21853966
[TBL] [Abstract][Full Text] [Related]
38. Stabilizing Effect of a 4c/6e Hypervalent Bond in Dinitrodiphenyl Disulfides and Their Thermochemical Properties: Experimental and Computational Approach.
Flores H; Ramos F; Hernández-Pérez JM; Solano-Altamirano JM; Camarillo EA; Sandoval-Lira J
J Phys Chem A; 2023 Jul; 127(26):5534-5546. PubMed ID: 37365903
[TBL] [Abstract][Full Text] [Related]
39. C-H bond dissociation enthalpies in norbornane. An experimental and computational study.
Nunes PM; Estacio SG; Lopes GT; Costa Cabral BJ; Borges dos Santos RM; Martinho Simões JA
Org Lett; 2008 Apr; 10(8):1613-6. PubMed ID: 18348570
[TBL] [Abstract][Full Text] [Related]
40. Intramolecular hydrogen bonding in disubstituted ethanes. A comparison of NH...O- and OH...O- Hydrogen bonding through conformational analysis of 4-amino-4-oxobutanoate (succinamate) and monohydrogen 1,4-butanoate (monohydrogen succinate) anions.
Rudner MS; Jeremic S; Petterson KA; Kent DR; Brown KA; Drake MD; Goddard WA; Roberts JD
J Phys Chem A; 2005 Oct; 109(40):9076-82. PubMed ID: 16332014
[TBL] [Abstract][Full Text] [Related]
[Previous] [Next] [New Search]
