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Items: 1 to 20 of 117

1.

Experimental and Computational Thermochemistry of 3- and 4-Nitrophthalic Anhydride.

García-Castro MA, Amador P, Hernández-Pérez JM, Medina-Favela AE, Flores H.

J Phys Chem A. 2014 May 8. [Epub ahead of print]

PMID:
24809659
2.

Thermochemistry of 2- and 3-acetylthiophenes: calorimetric and computational study.

Roux MV, Temprado M, Jiménez P, Notario R, Chickos JS, Santos AF, da Silva MA.

J Phys Chem A. 2007 Nov 1;111(43):11084-92.

PMID:
17918809
3.

Experimental and computational thermochemical study of sulfur-containing amino acids: L-cysteine, L-cystine, and L-cysteine-derived radicals. S-S, S-H, and C-S bond dissociation enthalpies.

Roux MV, Foces-Foces C, Notario R, da Silva MA, da Silva Md, Santos AF, Juaristi E.

J Phys Chem B. 2010 Aug 19;114(32):10530-40.

PMID:
20734495
4.

Thermochemistry of bithiophenes and thienyl radicals. A calorimetric and computational study.

Ribeiro da Silva MA, Santos AF, Gomes JR, Roux MV, Temprado M, Jiménez P, Notario R.

J Phys Chem A. 2009 Oct 15;113(41):11042-50. doi: 10.1021/jp905531c.

PMID:
19772333
5.

Thermochemistry of 2,5-thiophenedicarboxylic acid.

Roux MV, Temprado M, Jiménez P, Foces-Foces C, Notario R, Verevkin SP, Liebman JF.

J Phys Chem A. 2006 Nov 16;110(45):12477-83.

PMID:
17091953
6.

Experimental and computational thermochemical study of α-alanine (DL) and β-alanine.

da Silva MA, da Silva Md, Santos AF, Roux MV, Foces-Foces C, Notario R, Guzmán-Mejía R, Juaristi E.

J Phys Chem B. 2010 Dec 16;114(49):16471-80. doi: 10.1021/jp106824e.

PMID:
21087063
7.

Energetics and molecular structure of 2,5-dimethyl-1-phenylpyrrole and 2,5-dimethyl-1-(4-nitrophenyl)pyrrole.

da Silva MA, Santos AF.

J Phys Chem B. 2010 Dec 16;114(49):16214-22. doi: 10.1021/jp107018b.

PMID:
20949955
8.

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 17;114(23):7909-19. doi: 10.1021/jp102024y.

PMID:
20499892
9.

Diaminobenzenes: an experimental and computational study.

Santos AF, Ribeiro da Silva MA.

J Phys Chem B. 2011 May 5;115(17):4939-48. doi: 10.1021/jp200670s.

PMID:
21476524
10.

Combined experimental and computational study of the thermochemistry of methylpiperidines.

Ribeiro da Silva MA, Cabral JI, Gomes P, Gomes JR.

J Org Chem. 2006 May 12;71(10):3677-85.

PMID:
16674037
11.

Thermochemistry of uracils. Experimental and computational enthalpies of formation of 5,6-dimethyl-, 1,3,5-trimethyl-, and 1,3,5,6-tetramethyluracils.

Notario R, Emel'yanenko VN, Roux MV, Ros F, Verevkin SP, Chickos JS, Liebman JF.

J Phys Chem A. 2013 Jan 10;117(1):244-51. doi: 10.1021/jp311057h.

PMID:
23215007
12.

Thermochemistry of biphenylcarboxylic and dicarboxylic acids. A combined experimental and theoretical study.

Matos MA, Miranda MS, Martins DV, Pinto NA, Morais VM, Liebman JF.

Org Biomol Chem. 2004 May 7;2(9):1353-8.

PMID:
15105925
13.

Energetic and structural study of diphenylpyridine isomers.

Rocha MA, Gomes LR, Low JN, Santos LM.

J Phys Chem A. 2009 Oct 15;113(41):11015-27. doi: 10.1021/jp903792d.

PMID:
19761229
14.

2- and 3-acetylpyrroles: a combined calorimetric and computational study.

Santos AF, Gomes JR, da Silva MA.

J Phys Chem A. 2009 Apr 16;113(15):3630-8. doi: 10.1021/jp810407m.

PMID:
19320446
15.

A combined experimental and computational thermodynamic study of difluoronitrobenzene isomers.

Ribeiro da Silva MA, Monte MJ, Lobo Ferreira AI, Oliveira JA, Cimas Á.

J Phys Chem B. 2010 Oct 14;114(40):12914-25. doi: 10.1021/jp1058885.

PMID:
20860353
16.

Calorimetric and computational study of 1,3,5-trithiane.

Roux MV, Jiménez P, Dávalos JZ, Notario R, Juaristi E.

J Org Chem. 2001 Aug 10;66(16):5343-51.

PMID:
11485454
17.

Experimental and computational thermochemical study of 2- and 3-thiopheneacetic acid methyl esters.

Roux MV, Temprado M, Notario R, Chickos JS, Santos AF, da Silva MA.

J Phys Chem A. 2007 Jun 21;111(24):5280-6.

PMID:
17530748
18.

Calorimetric and computational study of 1,3- and 1,4-oxathiane sulfones.

Roux MV, Temprado M, Jiménez P, Notario R, Guzman-Mejía R, Juaristi E.

J Org Chem. 2007 Feb 16;72(4):1143-7.

PMID:
17288369
19.

Experimental and computational study of the thermochemistry of the fluoromethylaniline isomers.

Ribeiro da Silva MA, Ferreira AI, Gomes JR.

J Phys Chem B. 2007 Jun 14;111(23):6444-51.

PMID:
17518494
20.

Phenylnaphthalenes: sublimation equilibrium, conjugation, and aromatic interactions.

Lima CF, Rocha MA, Schröder B, Gomes LR, Low JN, Santos LM.

J Phys Chem B. 2012 Mar 22;116(11):3557-70. doi: 10.1021/jp2111378.

PMID:
22356280
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