Chandrasekhar

S. Chandrasekhar, Liquid Crystals, 2nd ed., Cambridge University Press, 1992. 

Chandrasekhar S 1943 Stochastic problems in physics and astronomy Rev. Mod. Rhys. 15 1... 

Chandrasekhar S 1961 Hydrodynamio and Hydromagnetio Stability (London Oxford University Press)... 

Jorgenson W L, Chandrasekhar J, Madura J D, Impey R W and Klein M L 1983 Comparison of simple potential funotions for simulating liquid water J. Chem. Phys. 79 926-35... 

Chandrasekhar V 1998 Polymer solid electrolytes synthesis and structure/4dv. Polym. Sc/. 135 139-205... 

Chandrasekhar S, Sadashiva B K and Suresh K A 1977 Liquid orystals of diso-like moleoules Pramana 9 471-80... 

Chandrasekhar S 1998 Columnar, disootio, nematio and lamellar liquid orystals Their struotures and physioal properties Handbook of Liquid Crystais Voi 2B. Low Moiecuiar Weight Liquid Crystais / ed D Demus, J Goodby, G W Gray, H-W Spiess and V Vill (New York Wiley-VCH)... 

Chandrasekhar S and Ranganath G S 1986 The struoture and energetios of defeots in liquid orystals Adv. Phys. 35 507-96... 

Chandrasekhar S 1983 Liquid orystais of diso-iike moieouies Phil. Trans. R. Soc. A 309 93-103 Frenkei D 1989 Coiumnar ordering as an exoiuded-voiume effeot Liq. Cryst. 5 929-40... 

Chandrasekhar, J., Smith, S,F,m Jorgensen, W.L. Theoretical examonation of the Stv2 reaction involving chloride ion and methyl chloride in the gas phase and aqueous solution. J. Amer. Chem. Soc. 107 (1985) 154-163. 

Figure 5.21 reprinted with permission from Chandrasekhar J, S F Smith and W L Jorgensen. Theoretical Examination of the 5 2 Reaction Involving Chloride Ion and Methyl Chloride in the Gas Phase and Aqueous Solution. The Journal of the American Chemical Society 107 154-163. 1985 American Chemical Society. 

Potential of mean force for the Cr+MeCl reaction in various solvents. (Figure redrawn from Chandrasekhar ] and W L Jorgensen 1985. Energy Profile for a Nonconcerted S>]2 Reaction in Solution. Journal of tho American Chemical Society 107 2974-2975.)... 

The water molecules used to solvate a solute comes from Jorgensen s Monte Carlo equilibrated box of 216 water molecules, described by the T1P3P potential function [W- L. Jorgensen, J. Chandrasekhar, J. D. Madura, R. W. Impey, and M. L. Klein, J. Chem. Phys. 79, 926 (1983)]. This box is cubic and 18.70 A on a side. When the requested box fits into this, it is just carved out of the basic Jorgensen box. When a bigger box (more than 216 water molecules or perhaps an elongated box) is required, then the basic 216 molecule box is duplicated to create 3x3x3x216 water molecules in a box 56.10 Aon a side and the required box is carved out of this. 

WL Jorgensen, J Chandrasekhar, JD Madura, RW Impey, ML Klein. J Chem Phys 79 926-935, 1983. 

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