Carbó-Dorca R - Search Results

1

Modeling the structure-property relationships of nanoneedles: A journey toward nanomedicine.

Poater A, Saliner AG, Carbó-Dorca R, Poater J, Solà M, Cavallo L, Worth AP. Poater A, et al. J Comput Chem. 2009 Jan 30;30(2):275-84. doi: 10.1002/jcc.21041. J Comput Chem. 2009. PMID: 18615420

2

Nine questions on energy decomposition analysis.

Andrés J, Ayers PW, Boto RA, Carbó-Dorca R, Chermette H, Cioslowski J, Contreras-García J, Cooper DL, Frenking G, Gatti C, Heidar-Zadeh F, Joubert L, Martín Pendás Á, Matito E, Mayer I, Misquitta AJ, Mo Y, Pilmé J, Popelier PLA, Rahm M, Ramos-Cordoba E, Salvador P, Schwarz WHE, Shahbazian S, Silvi B, Solà M, Szalewicz K, Tognetti V, Weinhold F, Zins ÉL. Andrés J, et al. Among authors: carbo dorca r. J Comput Chem. 2019 Oct 5;40(26):2248-2283. doi: 10.1002/jcc.26003. Epub 2019 Jun 28. J Comput Chem. 2019. PMID: 31251411

3

Notes on quantitative structure-properties relationships (QSPR) (1): A discussion on a QSPR dimensionality paradox (QSPR DP) and its quantum resolution.

Carbó-Dorca R, Gallegos A, Sánchez AJ. Carbó-Dorca R, et al. J Comput Chem. 2009 May;30(7):1146-59. doi: 10.1002/jcc.21145. J Comput Chem. 2009. PMID: 18942738

4

Notes on quantitative structure-property relationships (QSPR), part 3: density functions origin shift as a source of quantum QSPR algorithms in molecular spaces.

Carbó-Dorca R. Carbó-Dorca R. J Comput Chem. 2013 Apr 5;34(9):766-79. doi: 10.1002/jcc.23198. Epub 2012 Dec 12. J Comput Chem. 2013. PMID: 23238931

5

Molecular quantum similarity analysis of estrogenic activity.

Gallegos Saliner A, Amat L, Carbó-Dorca R, Schultz TW, Cronin MT. Gallegos Saliner A, et al. J Chem Inf Comput Sci. 2003 Jul-Aug;43(4):1166-76. doi: 10.1021/ci034014a. J Chem Inf Comput Sci. 2003. PMID: 12870908

6

Coulomb and overlap self-similarities: a comparative selectivity analysis of structure-function relationships for auxin-like molecules.

Ferro N, Gallegos A, Bultinck P, Jacobsen HJ, Carbó-Dorca R, Reinard T. Ferro N, et al. J Chem Inf Model. 2006 Jul-Aug;46(4):1751-62. doi: 10.1021/ci050491c. J Chem Inf Model. 2006. PMID: 16859307

7

Notes on quantitative structure-properties relationships (QSPR) part 2: the role of the number of atoms as a molecular descriptor.

Carbó-Dorca R, Gallegos Saliner A. Carbó-Dorca R, et al. J Comput Chem. 2009 Oct;30(13):2099-104. doi: 10.1002/jcc.21208. J Comput Chem. 2009. PMID: 19242962

8

TGSA-Flex: Extending the capabilities of the Topo-Geometrical Superposition Algorithm to handle flexible molecules.

Gironés X, Carbó-Dorca R. Gironés X, et al. J Comput Chem. 2004 Jan 30;25(2):153-9. doi: 10.1002/jcc.10258. J Comput Chem. 2004. PMID: 14648614

9

Critical analysis and extension of the Hirshfeld atoms in molecules.

Bultinck P, Van Alsenoy C, Ayers PW, Carbó-Dorca R. Bultinck P, et al. J Chem Phys. 2007 Apr 14;126(14):144111. doi: 10.1063/1.2715563. J Chem Phys. 2007. PMID: 17444705 Free article.

10

Maximal probability domains in linear molecules.

Gallegos A, Carbó-Dorca R, Lodier F, Cancès E, Savin A. Gallegos A, et al. J Comput Chem. 2005 Apr 15;26(5):455-60. doi: 10.1002/jcc.20180. J Comput Chem. 2005. PMID: 15690414

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