T. Münzel, A. Daiber, and T. Gori, Nitrate therapy : new aspects concerning molecular action and tolerance, Circulation, vol.123, pp.2132-2144, 2011.

M. E. Widlansky, N. Gokce, J. F. Keaney, . Jr, and J. A. Vita, The clinical implications of endothelial dysfunction, J. Am. Coll. Cardiol, vol.42, pp.1149-1160, 2003.

C. Gaucher, A. Boudier, F. Dahboul, M. Parent, and P. Leroy, Snitrosation/denitrosation in cardiovascular pathologies: facts and concepts for the rational design of S-nitrosothiols, Curr Pharm Des, vol.19, pp.458-472, 2013.

M. Parent, F. Dahboul, R. Schneider, I. Clarot, P. Maincent et al., A complete physicochemical identity card of S-nitrosoglutathione, Curr. Pharm. Anal, vol.9, pp.31-42, 2013.
URL : https://hal.archives-ouvertes.fr/hal-00807801

L. Xiao-hong, T. Zheng-xin, and Z. Xian-zhou, Natural bond orbital analysis of some S-nitrosothiols biological molecules, Int. J. Quantum Chem, vol.110, pp.1565-572, 2010.

B. Roy, A. Moulinet-d'hardemare, and M. Fontecave, New thionitrites: synthesis, stability, and nitric oxide generation, J. Org. Chem, vol.59, pp.7019-7026, 1994.

M. D. Bartberger, K. N. Houk, S. C. Powell, J. D. Mannion, K. Y. Lo et al., Spectroscopy, and Crystallographic Analysis of S -Nitrosothiols: Conformational Distribution Dictates Spectroscopic Behavior, J. Am. Chem. Soc, vol.122, pp.5889-5890, 2000.

M. D. Bartberger, J. D. Mannion, S. C. Powell, J. S. Stamler, K. N. Houk et al., J. Am. Chem. Soc, vol.123, pp.8868-8869, 2001.

J. Lü, J. M. Wittbrodt, K. Wang, Z. Wen, H. B. Schlegel et al., NO Affinities of S -Nitrosothiols: A Direct Experimental and Computational Investigation of RS?NO Bond Dissociation Energies, J. Am. Chem. Soc, vol.123, pp.2903-2904, 2001.

C. Baciu and J. W. Gauld, An Assessment of Theoretical Methods for the Calculation of Accurate Structures and SN Bond Dissociation Energies of S -Nitrosothiols

, J. Phys. Chem. A, vol.107, pp.9946-9952, 2003.

Y. Fu, Y. Mou, . Lin, L. Liu, Q. Guo et al., Structures of the X?Y?NO Molecules and Homolytic Dissociation Energies of the Y?NO Bonds, vol.106, pp.12386-12392, 2002.

Q. K. Timerghazin, G. H. Peslherbe, and A. M. English, Resonance Description of S -Nitrosothiols: Insights into Reactivity, Org. Lett, vol.9, pp.3049-3052, 2007.

Q. K. Timerghazin, A. M. English, and G. H. Peslherbe, On the multireference character of S-nitrosothiols: A theoretical study of HSNO, Chem. Phys. Lett, vol.454, pp.24-29, 2008.

M. Flister and Q. K. Timerghazin, Structure, Stability, and Substituent Effects in Aromatic S -Nitrosothiols: The Crucial Effect of a Cascading Negative Hyperconjugation/Conjugation Interaction, J. Phys. Chem. A, vol.118, pp.9914-9924, 2014.

X. Li, H. Cui, and X. Zhang, PCM Study of Bond Dissociation Energies of the S-NO Bond: A DFT Study, J. Sol. Chem, vol.42, pp.1221-1228, 2013.

M. R. Talipov and Q. K. Timerghazin, Protein Control of S -Nitrosothiol Reactivity: Interplay of Antagonistic Resonance Structures, J. Phys. Chem. B, vol.117, pp.1827-1837, 2013.

Q. K. Timerghazin and M. R. Talipov, Unprecedented External Electric Field Effects on S-Nitrosothiols: Possible Mechanism of Biological Regulation ?, J. Phys.Chem. Lett, vol.4, pp.1034-1038, 2013.

J. Liang, S. Cheng, J. Hou, Z. Xu, and Y. Zhao, Car-Parinello molecular dynamics simulations of thionitroxide and S-nitrosothiol in the gas phase, methanol, and water-A theoretical study of S-nitrosylation, Sci. China Chem, vol.55, pp.2081-2088, 2012.

Y. Zhao, P. R. Mccarren, K. N. Houk, B. Y. Choi, and E. J. Toone, Nitrosonium-Catalyzed Decomposition of S -Nitrosothiols in Solution: A Theoretical and Experimental Study, J. Am. Chem. Soc, vol.127, pp.10917-10924, 2005.

E. E. Moran, Q. K. Timerghazin, E. Kwong, and A. M. English, Kinetics and Mechanism of S -Nitrosothiol Acid-Catalyzed Hydrolysis: Sulfur Activation Promotes Facile NO + Release, J. Phys. Chem. B, vol.115, pp.3112-3126, 2011.

M. Á. Fernández-gonzález, M. Marazzi, A. López-delgado, F. Zapata, C. García-iriepa et al., Structural Substituent Effect in the Excitation Energy of a Chromophore: Quantitative Determination and Application to S-Nitrosothiols, J. Chem. Theory Comput, vol.8, pp.3293-3302, 2012.

M. Marazzi, A. López-delgado, M. A. Fernández-gonzález, O. Castaño, L. M. Frutos et al., Modulating Nitric Oxide Release by S -Nitrosothiol Photocleavage: Mechanism and Substituent Effects, J. Phys. Chem. A, vol.116, pp.7039-7049, 2012.

L. V. Ivanova, B. J. Anton, and Q. K. Timerghazin, On the possible biological relevance of HSNO isomers: a computational investigation, Phys. Chem. Chem. Phys, vol.16, pp.8476-8486, 2014.

M. R. Talipov, D. G. Khomyakov, M. Xian, and Q. K. Timerghazin, Computational design of S -nitrosothiol "click" reactions, J. Comp. Chem, vol.34, pp.1527-1530, 2013.

Q. K. Timerghazin, G. H. Peslherbe, and A. M. English, Structure and stability of HSNO, the simplest S-nitrosothiol, Phys. Chem. Chem. Phys, vol.10, p.1532, 2008.

A. Canneva, M. F. Erben, R. M. Romano, Y. V. Vishnevskiy, C. G. Reuter et al., The Structure and Conformation of

, Chem. Eur. J, vol.21, pp.10436-10442, 2015.

M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, M. A. Robb et al., , 2009.

A. D. Becke, Density-functional exchange-energy approximation with correct asymptotic behavior, Phys. Rev. A, vol.38, pp.3098-3100, 1988.

C. Lee, W. Yang, and R. G. Parr, Development of the Colle-Salvetti correlation-energy formula into a functional of the electron density, Phys. Rev. B, vol.37, pp.785-789, 1988.

J. P. Perdew, K. Burke, and M. Ernzerhof, Generalized gradient approximation made simple, Phys. Rev. Lett, vol.77, pp.3865-3868, 1996.

J. P. Perdew, Density-functional approximation for the correlation energy of the inhomogeneous electron gas, Phys. Rev. B, vol.33, pp.8822-8824, 1986.

J. P. Perdew and Y. Wang, Accurate and simple analytic representation of the electrongas correlation energy, Phys. Rev. B, vol.45, pp.13244-13250, 1992.

C. J. Cramer and D. G. Truhlar, Implicit Solvation Models: Equilibria, Structure, Spectra, and Dynamics, Chem. Rev, vol.99, pp.2161-2200, 1999.

C. Curutchet, C. J. Cramer, D. G. Truhlar, F. Manuel, D. Rinaldi et al., Electrostatic component of solvation: comparison of SCRF continuum models, J. Comput. Chem, vol.24, pp.284-297, 2003.

J. Tomasi, B. Mennucci, and R. Cammi, Quantum Mechanical Continuum Solvation Models, Chem. Rev, vol.105, pp.2999-3094, 2005.

E. Cancès, B. Mennucci, and J. Tomasi, A new integral equation formalism for the polarizable continuum model: Theoretical background and applications to isotropic and anisotropic dielectrics, J. Chem. Phys, vol.107, pp.3032-3041, 1997.

C. P. Kelly, C. J. Cramer, and D. G. Truhlar, Aqueous Solvation Free Energies of Ions and Ion?Water Clusters Based on an Accurate Value for the Absolute Aqueous Solvation Free Energy of the Proton, J. Phys. Chem. B, vol.110, pp.16066-16081, 2006.

E. R. Johnson, S. Keinan, P. Mori-sánchez, J. Contreras-garcía, A. J. Cohen et al., Revealing Noncovalent Interactions, J. Am. Chem. Soc, vol.132, pp.6498-6506, 2010.

J. Contreras-garcía, E. R. Johnson, S. Keinan, R. Chaudret, J. Piquemal et al., NCIPLOT: A Program for Plotting Noncovalent Interaction Regions, J. Chem. Theory Comput, vol.7, pp.625-632, 2011.

R. F. Bader, Atoms in Molecules: A Quantum Theory, 1990.

T. A. Keith, Version 13.11.04; TK Gristmill Software, 2012.

F. Dahboul, C. Perrin-sarrado, A. Boudier, I. Lartaud, R. Schneider et al.,

S. and S. '-dinitrosobucillamine, a new nitric oxide donor, induces a better vasorelaxation than other S-nitrosothiols, Eur. J. Pharmacol, vol.730, pp.171-179, 2014.