共 40 条
- [31] Dynamics and Structure of Ln(III)-Aqua Ions: A Comparative Molecular Dynamics Study Using ab Initio Based Flexible and Polarizable Model PotentialsJOURNAL OF PHYSICAL CHEMISTRY B, 2009, 113 (20): : 7270 - 7281Villa, AlessandraHess, BerkSaint-Martin, Humberto
- [32] Competition among Li+, Na+, K+, and Rb+ Monovalent Ions for DNA in Molecular Dynamics Simulations Using the Additive CHARMM36 and Drude Polarizable Force FieldsJOURNAL OF PHYSICAL CHEMISTRY B, 2015, 119 (12): : 4428 - 4440Savelyev, AlexeyMacKerell, Alexander D., Jr.
- [34] STUDY OF STRUCTURE OF MOLECULAR COMPLEXES .5. HEAT OF FORMATION FOR LI+,NA+,K+,F-, AND CL- ION COMPLEXES WITH A SINGLE WATER MOLECULEJOURNAL OF CHEMICAL PHYSICS, 1973, 59 (11): : 5842 - 5848KISTENMACHER, HPOPKIE, HCLEMENTI, E
- [35] Genetic algorithms applied to Li+ ions contained in carbon nanotubes:: An investigation using particle swarm optimization and differential evolution along with molecular dynamicsMATERIALS AND MANUFACTURING PROCESSES, 2007, 22 (5-6) : 562 - 569Chakraborti, N.Das, S.Jayakanth, R.Pekoz, R.Erkoc, S.
- [36] O-H STRETCHING FORCE-CONSTANTS IN COMPLEXES OF WATER WITH F-, CL-, LI+ IONS AND LIF, LICL ION-PAIRS BY 6-31G ABINITIO MO CALCULATIONSSPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY, 1992, 48 (11-12): : 1767 - 1772SINGH, SKNOZINGER, E
- [37] Anionic polyelectrolyte poly(acrylic acid) (PAA) chain shrinkage in water-ethanol solution in presence of Li+ and Cs+ metal ions studied by molecular dynamics simulationsMOLECULAR SIMULATION, 2017, 43 (08) : 625 - 637Gupta, Abhishek K.Natarajan, Upendra
- [38] Origin of Asymmetric Solvation Effects for Ions in Water and Organic Solvents Investigated Using Molecular Dynamics Simulations: The Swain Acity-Basity Scale RevisitedJOURNAL OF PHYSICAL CHEMISTRY B, 2016, 120 (33): : 8485 - 8517Reif, Maria M.Huenenberger, Philippe H.
- [39] STUDY OF SOLUTIONS OF ELECTROLYTES BY THE MONTE-CARLO METHOD .4. ANGULAR-DISTRIBUTIONS OF ORIENTATIONS OF WATER-MOLECULES DIPOLE-MOMENTS AROUND LI+, NA+, K+, F- AND CL- IONSZHURNAL FIZICHESKOI KHIMII, 1984, 58 (02): : 478 - 480ERGIN, YVKOOP, OY
- [40] Classical and path-integral molecular-dynamics study on liquid water and ice melting using non-empirical TTM2.1-F modelMOLECULAR PHYSICS, 2019, 117 (22) : 3241 - 3253Yong, XueBurnham, Christian J.English, Niall J.Tse, John S.