Laurence C - Search Results

1

B3LYP and MP2 calculations of the enthalpies of hydrogen-bonded complexes of methanol with neutral bases and anions: comparison with experimental data.

Koné M, Illien B, Graton J, Laurence C. Koné M, et al. Among authors: laurence c. J Phys Chem A. 2005 Dec 29;109(51):11907-13. doi: 10.1021/jp054173s. J Phys Chem A. 2005. PMID: 16366642

2

Amino and cyano N atoms in competitive situations: which is the best hydrogen-bond acceptor? A crystallographic database investigation.

Ziao N, Graton J, Laurence C, Le Questel JY. Ziao N, et al. Among authors: laurence c. Acta Crystallogr B. 2001 Dec;57(Pt 6):850-8. doi: 10.1107/S0108768101015403. Epub 2001 Nov 29. Acta Crystallogr B. 2001. PMID: 11717485

3

Site of protonation of nicotine and nornicotine in the gas phase: pyridine or pyrrolidine nitrogen?

Graton J, Berthelot M, Gal JF, Girard S, Laurence C, Lebreton J, Le Questel JY, Maria PC, Naus P. Graton J, et al. Among authors: laurence c. J Am Chem Soc. 2002 Sep 4;124(35):10552-62. doi: 10.1021/ja017770a. J Am Chem Soc. 2002. PMID: 12197757

4

The nicotinic pharmacophore: thermodynamics of the hydrogen-bonding complexation of nicotine, nornicotine, and models.

Graton J, Berthelot M, Gal JF, Laurence C, Lebreton J, Le Questel JY, Maria PC, Robins R. Graton J, et al. Among authors: laurence c. J Org Chem. 2003 Oct 17;68(21):8208-21. doi: 10.1021/jo035018h. J Org Chem. 2003. PMID: 14535805

5

An enthalpic scale of hydrogen-bond basicity. 3. Ammonia, primary, secondary, and tertiary amines.

Graton J, Berthelot M, Besseau F, Laurence C. Graton J, et al. Among authors: laurence c. J Org Chem. 2005 Sep 30;70(20):7892-901. doi: 10.1021/jo050535g. J Org Chem. 2005. PMID: 16277308

6

The pK(BHX) database: toward a better understanding of hydrogen-bond basicity for medicinal chemists.

Laurence C, Brameld KA, Graton J, Le Questel JY, Renault E. Laurence C, et al. J Med Chem. 2009 Jul 23;52(14):4073-86. doi: 10.1021/jm801331y. J Med Chem. 2009. PMID: 19537797 Review. No abstract available.

7

An enthalpic scale of hydrogen-bond basicity. 4. Carbon pi bases, oxygen bases, and miscellaneous second-row, third-row, and fourth-row bases and a survey of the 4-fluorophenol affinity scale.

Laurence C, Graton J, Berthelot M, Besseau F, Le Questel JY, Luçon M, Ouvrard C, Planchat A, Renault E. Laurence C, et al. J Org Chem. 2010 Jun 18;75(12):4105-23. doi: 10.1021/jo100461z. J Org Chem. 2010. PMID: 20491502

8

The diiodine basicity scale: toward a general halogen-bond basicity scale.

Laurence C, Graton J, Berthelot M, El Ghomari MJ. Laurence C, et al. Chemistry. 2011 Sep 5;17(37):10431-44. doi: 10.1002/chem.201101071. Epub 2011 Aug 10. Chemistry. 2011. PMID: 21834107

9

Can quantum-mechanical calculations yield reasonable estimates of hydrogen-bonding acceptor strength? The case of hydrogen-bonded complexes of methanol.

Koné M, Illien B, Laurence C, Graton J. Koné M, et al. Among authors: laurence c. J Phys Chem A. 2011 Dec 1;115(47):13975-85. doi: 10.1021/jp209200w. Epub 2011 Nov 3. J Phys Chem A. 2011. PMID: 22004133

10

Determination of a solvent hydrogen-bond acidity scale by means of the solvatochromism of pyridinium-N-phenolate betaine dye 30 and PCM-TD-DFT calculations.

Cerón-Carrasco JP, Jacquemin D, Laurence C, Planchat A, Reichardt C, Sraïdi K. Cerón-Carrasco JP, et al. Among authors: laurence c. J Phys Chem B. 2014 May 1;118(17):4605-14. doi: 10.1021/jp501534n. Epub 2014 Apr 17. J Phys Chem B. 2014. PMID: 24702635

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