Pure Appl. Chem., 1987, Vol. 59, No. 9, pp. 1071-1082
http://dx.doi.org/10.1351/pac198759091071
Molecular dynamics computer simulations of solvation in hydrogen bonded systems
CrossRef Cited-by Linking
- Bopp Philippe A., Buhn Jörn B., Maier Holger A., Hampe Manfred J.: SCOPE AND LIMITS OF MOLECULAR SIMULATIONS. Chem Eng Commun 2008, 195, 1437. <http://dx.doi.org/10.1080/00986440801964137>
- Wang Jianwei, Kalinichev Andrey G., Kirkpatrick R. James: Effects of substrate structure and composition on the structure, dynamics, and energetics of water at mineral surfaces: A molecular dynamics modeling study. Geochimica et Cosmochimica Acta 2006, 70, 562. <http://dx.doi.org/10.1016/j.gca.2005.10.006>
- Inada Yasuhiro, Loeffler Hannes H, Rode Bernd M: Librational, vibrational, and exchange motions of water molecules in aqueous Ni(II) solution: classical and QM/MM molecular dynamics simulations. chem phys letts 2002, 358, 449. <http://dx.doi.org/10.1016/S0009-2614(02)00645-0>
- Zhou Jian, Lu Xiaohua, Wang Yanru, Shi Jun: Molecular dynamics study on ionic hydration. Fluid Phase Equilb 2002, 194-197, 257. <http://dx.doi.org/10.1016/S0378-3812(01)00694-X>
- ZAKHAROV VIKTOR V., BRODSKAYA ELENA N., LAAKSONEN AATTO: Surface properties of water clusters: a molecular dynamics study. Mole Phys 1998, 95, 203. <http://dx.doi.org/10.1080/00268979809483152>
- Bischof Gerhard, Silbernagl Alexander, Hermansson Kersti, Probst Michael: Quantum chemical study of the molecular dynamics of hydrated Li+ And Be2+ cations. Int J Quantum Chem 1997, 65, 803. <http://dx.doi.org/10.1002/(SICI)1097-461X(1997)65:5<803::AID-QUA45>3.0.CO;2-Y>
- Guàrdia E., Padró J. A.: On the Structure and Dynamic Properties of Aqueous Solutions: Molecular Dynamics Simulation of Cl− and Cl2- in Water. Molec Sim 1996, 17, 83. <http://dx.doi.org/10.1080/08927029608024098>
- Kalinichev A.G., Heinzinger K.: Molecular dynamics of supercritical water: A computer simulation of vibrational spectra with the flexible BJH potential. Geochimica et Cosmochimica Acta 1995, 59, 641. <http://dx.doi.org/10.1016/0016-7037(94)00289-X>
- Kalinichev A. G.: Molecular Dynamics and Self-Diffusion in Supercritical Water. Berichte der Bunsengesellschaft für physikalische Chemie 1993, 97, 872. <http://dx.doi.org/10.1002/bbpc.19930970707>
- Lasaga Antonio C.: Ab initio methods in mineral surface reactions. Rev Geophys 1992, 30, 269. <http://dx.doi.org/10.1029/92RG00253>
- Zhu Sheng-Bai, Robinson G. Wilse: Molecular-dynamics computer simulation of an aqueous NaCl solution: Structure. J Chem Phys 1992, 97, 4336. <http://dx.doi.org/10.1063/1.463903>
- Zhu Sheng-Bai, Singh Surjit, Robinson G. Wilse: A new flexible/polarizable water model. J Chem Phys 1991, 95, 2791. <http://dx.doi.org/10.1063/1.460930>
- Pálinkás G., Bakó I., Heinzinger K., Bopp P.: Molecular dynamics investigation of the inter- and intramolecular motions in liquid methanol and methanol-water mixtures. Mole Phys 1991, 73, 897. <http://dx.doi.org/10.1080/00268979100101641>
- Probst M. M., Spohr E., Heinzinger K., Bopp P.: A Molecular Dynamics Simulation of an Aqueous Beryllium Chloride Solution. Molec Sim 1991, 7, 43. <http://dx.doi.org/10.1080/08927029108022447>
- Zhu S.-B., Zhu J.-B., Robinson G.: Molecular-dynamics study of liquid water in strong laser fields. Phys Rev A 1991, 44, 2602. <http://dx.doi.org/10.1103/PhysRevA.44.2602>
- Guàrdia E., Padró J.A.: Molecular dynamics simulation of ferrous and ferric ions in water. Chemical Phys 1990, 144, 353. <http://dx.doi.org/10.1016/0301-0104(90)80100-C>
- Trullàs J., Giró A., Padró J. A.: Langevin dynamics study of NaCl electrolyte solutions at different concentrations. J Chem Phys 1990, 93, 5177. <http://dx.doi.org/10.1063/1.458655>
- Katō Toshiko, Machida Katsunosuke, Oobatake Motohisa, Hayashi Soichi: Vibrational dephasing in computer simulated molten LiNO3. J Chem Phys 1990, 93, 3970. <http://dx.doi.org/10.1063/1.458782>
- Heinzinger K., Spohr E.: Computer simulations of water—metal interfaces. Electrochimica Acta 1989, 34, 1849. <http://dx.doi.org/10.1016/0013-4686(89)85071-6>
- Trullàs J., Giró A., Padró J. A.: Langevin dynamics simulation of ions in solution: Influence of the solvent structure. J Chem Phys 1989, 91, 539. <http://dx.doi.org/10.1063/1.457490>
- Spohr E., Heinzinger K.: A Molecular Dynamics Study on the Water/Metal Interfacial Potential. Berichte der Bunsengesellschaft für physikalische Chemie 1988, 92, 1358. <http://dx.doi.org/10.1002/bbpc.198800326>
- Physikalische Chemie 1987. Nachr Chem Tech Lab 1988, 36, 169. <http://dx.doi.org/10.1002/nadc.19880360208>
- Katō Toshiko, Machida Katsunosuke, Oobatake Motohisa, Hayashi Soichi: Ionic dynamics in computer simulated molten LiNO3. I. Translational and reorientational motion. J Chem Phys 1988, 89, 3211. <http://dx.doi.org/10.1063/1.454978>