123 related articles for article (PubMed ID: 16332026)
1. G3(MP2) enthalpies of hydrogenation, isomerization, and formation of extended linear polyacetylenes.
Rogers DW; Zavitsas AA; Matsunaga N
J Phys Chem A; 2005 Oct; 109(40):9169-73. PubMed ID: 16332026
[TBL] [Abstract][Full Text] [Related]
2. On the lack of conjugation stabilization in polyynes (polyacetylenes).
Rogers DW; Matsunaga N; McLafferty FJ; Zavitsas AA; Liebman JF
J Org Chem; 2004 Oct; 69(21):7143-7. PubMed ID: 15471463
[TBL] [Abstract][Full Text] [Related]
3. The conjugation stabilization of 1,3-butadiyne is zero.
Rogers DW; Matsunaga N; Zavitsas AA; McLafferty FJ; Liebman JF
Org Lett; 2003 Jul; 5(14):2373-5. PubMed ID: 12841733
[TBL] [Abstract][Full Text] [Related]
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]
5. How large is the conjugative stabilization of diynes?
Jarowski PD; Wodrich MD; Wannere CS; Schleyer PV; Houk KN
J Am Chem Soc; 2004 Nov; 126(46):15036-7. PubMed ID: 15547994
[TBL] [Abstract][Full Text] [Related]
6. 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]
7. An energetic measure of aromaticity and antiaromaticity based on the Pauling-Wheland resonance energies.
Mo Y; von Ragué Schleyer P
Chemistry; 2006 Feb; 12(7):2009-20. PubMed ID: 16342222
[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. G2 ab Initio Calculations of Enthalpies of Hydrogenation, Isomerization, and Formation of C(3) Cyclic and Acyclic Ketones and Alcohols.
Rogers DW; McLafferty FJ; Podosenin AV
J Org Chem; 1998 Oct; 63(21):7319-7321. PubMed ID: 11672378
[TBL] [Abstract][Full Text] [Related]
10. Experimental determination of the heat of hydrogenation of phenylcyclobutadiene.
Fattahi A; Lis L; Kass SR
J Am Chem Soc; 2005 Sep; 127(37):13065-9. PubMed ID: 16159303
[TBL] [Abstract][Full Text] [Related]
11. Understanding conjugation and hyperconjugation from electronic delocalization measures.
Feixas F; Matito E; Poater J; Solà M
J Phys Chem A; 2011 Nov; 115(45):13104-13. PubMed ID: 21932863
[TBL] [Abstract][Full Text] [Related]
12. Thinking out of the black box: accurate barrier heights of 1,3-dipolar cycloadditions of ozone with acetylene and ethylene.
Wheeler SE; Ess DH; Houk KN
J Phys Chem A; 2008 Feb; 112(8):1798-807. PubMed ID: 18247512
[TBL] [Abstract][Full Text] [Related]
13. Assessment of G3(MP2)∕∕B3 theory including a pseudopotential for molecules containing first-, second-, and third-row representative elements.
Rocha CM; Pereira DH; Morgon NH; Custodio R
J Chem Phys; 2013 Nov; 139(18):184108. PubMed ID: 24320255
[TBL] [Abstract][Full Text] [Related]
14. The influence of substituent groups on the resonance stabilization of benzene. An ab initio computational study.
Rogers DW; McLafferty FJ
J Org Chem; 2001 Feb; 66(4):1157-62. PubMed ID: 11312942
[TBL] [Abstract][Full Text] [Related]
15. The concept of protobranching and its many paradigm shifting implications for energy evaluations.
Wodrich MD; Wannere CS; Mo Y; Jarowski PD; Houk KN; Schleyer Pv
Chemistry; 2007; 13(27):7731-44. PubMed ID: 17607688
[TBL] [Abstract][Full Text] [Related]
16. Atom-based thermochemistry: crystal atomization and sublimation enthalpies in linear relationships to molecular atomization enthalpy.
von Szentpály L
J Am Chem Soc; 2008 May; 130(18):5962-73. PubMed ID: 18396880
[TBL] [Abstract][Full Text] [Related]
17. Stabilization energies of extensively conjugated propargylic radicals.
Rogers DW; Matsunaga N; Zavitsas AA
J Org Chem; 2006 Mar; 71(6):2214-9. PubMed ID: 16526765
[TBL] [Abstract][Full Text] [Related]
18. Energetics of C-F, C-Cl, C-Br, and C-I bonds in 2-haloethanols. enthalpies of formation of XCH(2)CH(2)OH (X = F, Cl, Br, I) compounds and of the 2-hydroxyethyl radical.
Bernardes CE; Minas da Piedade ME; Amaral LM; Ferreira AI; Ribeiro da Silva MA; Diogo HP; Costa Cabral BJ
J Phys Chem A; 2007 Mar; 111(9):1713-20. PubMed ID: 17288411
[TBL] [Abstract][Full Text] [Related]
19. Theoretical thermodynamics for large molecules: walking the thin line between accuracy and computational cost.
Schwabe T; Grimme S
Acc Chem Res; 2008 Apr; 41(4):569-79. PubMed ID: 18324790
[TBL] [Abstract][Full Text] [Related]
20. Enthalpies of formation and substituent effects of ortho-, meta-, and para-aminotoluenes from thermochemical measurements and from ab initio calculations.
Emel'yanenko VN; Verevkin SP
J Phys Chem A; 2005 May; 109(17):3960-6. PubMed ID: 16833716
[TBL] [Abstract][Full Text] [Related]
[Next] [New Search]
