참고문헌
- Sandler, S. I., Chemical, Biochemical and Engineering Thermodynamics 4th ed., John Wiley & Sons(2006).
- Soave, G., "Equilibrium Constants from a Modified Redlich- Kwong Equation of State," Chem. Eng. Sci., 27, 1197-1203(1972). https://doi.org/10.1016/0009-2509(72)80096-4
- Peng, D.-Y. and Robinson, D. B., "A New Two-Constant Equation of State," Ind. Eng. Chem. Fundam., 15, 59-64(1976). https://doi.org/10.1021/i160057a011
- Frenkel, D. and Smit, B., Understanding Molecular Simulations 2nd ed., Academic(2002).
- Case, D. A., Cheatham III, T. E., Darden, T., Gohlke, H., Luo, R., Merz Jr, K. M., Onufriev, A., Simmerling, C., Wang, B. and Woods, R., "The Amber Biomolecular Simulation Programs," J. Comp. Chem., 26, 1668-1688(2005). https://doi.org/10.1002/jcc.20290
- Brooks, B. R., Brooks III, C. L., Mackerell, A. D., Nilsson, L., Petrella, R. J., Roux, B., Won, Y., Archontis, G., Bartels, C., Boresch, S., Caflisch, A., Caves, L., Cui, Q., Dinner, A. R., Feig, M., Fischer, S., Gao, J., Hodoscek, M., Im, W., Kuczera, K., Lazaridis, T., Ma, J., Ovchinnikov, V., Paci, E., Pastor, R. W., Post, C. B., Pu, J. Z., Schaefer, M., Tidor, B., Venable, R. M., Woodcock, H. L., Wu, X., Yang, W., York, D. M. and Karplus, M., "CHARMM: The Biomolecular Simulation Program," J. Comp. Chem., 30, 1545-1615(2009). https://doi.org/10.1002/jcc.21287
- http://accelrys.com/products/materials-studio/.
- http://campus.uos.ac.kr/chemc/chemc.htm.
- Widom, B., "Some Topics in the Theory of Fluids," J. Chem. Phys., 39, 2808-2812(1963). https://doi.org/10.1063/1.1734110
- Lyubartsev, A. P., Martsinovski, A. A., Shevkunov, S. V. and Vorontsov-Vel'yaminov, P. N., "New Approach to Monte Carlo Calculation of the Free Energy: Method of Expanded Ensembles," J. Chem. Phys., 96, 1776-1783(1992). https://doi.org/10.1063/1.462133
- Lyubartsev, A. P., Laaksonen, A. and Vorontsov-Velyaminov, P. N., "Free Energy Calculations for Lennard-Jones Systems and Water Using the Expanded Ensemble Method. A Monte Carlo and Molecular Dynamics Simulation Study," Mol. Phys., 82, 455-471(1994). https://doi.org/10.1080/00268979400100344
- Lyubartsev, A. P., Jacobsson, S. P., Sundholm, G. and Laaksonen, A., "Solubility of Organic Compounds in Water/Octanol Systems. A Expanded Ensemble Molecular Dynamics Simulation Study of log P Parameters," J. Phys. Chem. B, 105, 7775-7782(2001). https://doi.org/10.1021/jp0036902
- Errington, J. R., Boulougouris, G. C., Economou, I. G., Panagiotopoulos, A. Z. and Theodorou, D. N., "Molecular Simulation of Phase Equilibria for Water-Methane and Water-Ethane Mixtures," J. Phys. Chem. B, 102, 8865-8873(1998).
- Khare, A. A. and Rutledge, G. C., "Chemical Potential of Model Benzene Fluids Using Expanded Ensemble Monte Carlo Simulations," J. Chem. Phys., 110, 3063-3069(1999). https://doi.org/10.1063/1.477902
- Aberg, K. M., Lyubartsev, A. P., Jacobsson, S. P. and Laaksonen, A., "Determination of Solvation Free Energies by Adaptive Expanded Ensemble Molecular Dynamics," J. Chem. Phys., 120, 3770-3776(2004). https://doi.org/10.1063/1.1642601
- Chang, J. and Sandler, S. I., "Determination of Liquid-Solid Equilibria Using the Histogram Reweighting Method and Expanded Ensemble Simulation," J. Chem. Phys., 118, 8390-8395(2003). https://doi.org/10.1063/1.1565329
- Chang, J., Lenhoff, A. M. and Sandler, S. I., "Determination of Fluid-Solid Transitions in Model Protein Solutions Using the Histogram Reweighting Method and Expanded Ensemble Simulations," J. Chem. Phys., 120, 3003-3014(2004). https://doi.org/10.1063/1.1638377
- Chang, J., Lenhoff, A. M. and Sandler, S. I., "The Combined Simulation Approach of Atomistic and Continuum Models for the Thermodynamics of Lysozyme Crystals," J. Phys. Chem. B, 109, 19507-19515(2005). https://doi.org/10.1021/jp0525989
- Chang, J. and Sandler, S. I., "The Free Energies of Fullerene C60 Orientational Order-Disorder Phase Transition," J. Chem. Phys., 125, 054705(2006). https://doi.org/10.1063/1.2219753
- Chang, J., "The Calculation of Chemical Potential of Organic Solutes in Dense Liquid Phases by Using Expanded Ensemble Monte Carlo Simulations," J. Chem. Phys., 131, 074103(2009). https://doi.org/10.1063/1.3204440
- http://www.opengl.org/.
피인용 문헌
- Solubility of triclocarban in pure alkanols at different temperatures vol.30, pp.1, 2013, https://doi.org/10.1007/s11814-012-0099-8