Casanovas J - Search Results

1

Unusually high pyramidal geometry of the bicyclic amide nitrogen in a complex 7-azabicyclo[2.2.1]heptane derivative: Theoretical analysis using a bottom-up strategy.

Alemán C, Jiménez AI, Cativiela C, Pérez JJ, Casanovas J. Alemán C, et al. Among authors: casanovas j. J Phys Chem B. 2005 Jun 16;109(23):11836-41. doi: 10.1021/jp050141t. J Phys Chem B. 2005. PMID: 16852453

2

N-acetyl-N'-methylamide derivative of (2S,3S)-1-amino-2,3-diphenylcyclopropanecarboxylic acid: theoretical analysis of the conformational impact produced by the incorporation of the second phenyl group to the cyclopropane analogue of phenylalanine.

Casanovas J, Jiménez AI, Cativiela C, Pérez JJ, Alemán C. Casanovas J, et al. J Org Chem. 2003 Sep 5;68(18):7088-91. doi: 10.1021/jo034720a. J Org Chem. 2003. PMID: 12946154

3

Conformational analysis of a cyclopropane analogue of phenylalanine with two geminal phenyl substituents.

Casanovas J, Jiménez AI, Cativiela C, Pérez JJ, Aleman C. Casanovas J, et al. J Phys Chem B. 2006 Mar 23;110(11):5762-6. doi: 10.1021/jp0542569. J Phys Chem B. 2006. PMID: 16539522

4

Conformational features of an actuator containing calix[4]arene and thiophene: a molecular dynamics study.

Zanuy D, Casanovas J, Aleman C. Zanuy D, et al. Among authors: casanovas j. J Phys Chem B. 2006 May 25;110(20):9876-81. doi: 10.1021/jp060680d. J Phys Chem B. 2006. PMID: 16706442

5

Theoretical investigation on the rotational isomerism of calix[4]arenes: influence of the hydroxyl --> methoxy replacement.

Aleman C, Casanovas J. Aleman C, et al. Among authors: casanovas j. J Phys Chem A. 2005 Sep 8;109(35):8049-54. doi: 10.1021/jp053404s. J Phys Chem A. 2005. PMID: 16834188

6

Backbone conformational preferences and pseudorotational ring puckering of 1-aminocyclopentane-1-carboxylic acid.

Aleman C, Zanuy D, Casanovas J, Cativiela C, Nussinov R. Aleman C, et al. Among authors: casanovas j. J Phys Chem B. 2006 Oct 26;110(42):21264-71. doi: 10.1021/jp062804s. J Phys Chem B. 2006. PMID: 17048955

7

Intrinsic flexing abilities of molecular muscles based on tetrakis(2,3-thienylene): a quantum mechanical study.

Aleman C, Casanovas J. Aleman C, et al. Among authors: casanovas j. J Phys Chem A. 2007 Mar 29;111(12):2329-35. doi: 10.1021/jp066087d. Epub 2007 Mar 8. J Phys Chem A. 2007. PMID: 17388326

8

Conformations of proline analogues having double bonds in the ring.

Flores-Ortega A, Casanovas J, Zanuy D, Nussinov R, Alemán C. Flores-Ortega A, et al. Among authors: casanovas j. J Phys Chem B. 2007 May 17;111(19):5475-82. doi: 10.1021/jp0712001. Epub 2007 Apr 26. J Phys Chem B. 2007. PMID: 17458993

9

1-amino-2-phenylcyclopentane-1-carboxylic acid: a conformationally restricted phenylalanine analogue.

Casanovas J, Jiménez AI, Cativiela C, Nussinov R, Alemán C. Casanovas J, et al. J Org Chem. 2008 Jan 18;73(2):644-51. doi: 10.1021/jo702107s. Epub 2007 Dec 15. J Org Chem. 2008. PMID: 18081347

10

Hydrogen-bonding interactions in 2-thiophen-3-ylmalonic acid.

Casanovas J, Bertran O, Armelin E, Torras J, Estrany F, Alemán C. Casanovas J, et al. J Phys Chem A. 2008 Oct 23;112(42):10650-6. doi: 10.1021/jp805719s. Epub 2008 Sep 27. J Phys Chem A. 2008. PMID: 18821743

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