Lv25
168 积分 2024-03-04 加入
VESTA 3for three-dimensional visualization of crystal, volumetric and morphology data
2天前
已完结
Generalized Gradient Approximation Made Simple
2天前
已完结
Efficient iterative schemes forab initiototal-energy calculations using a plane-wave basis set
2天前
已完结
From ultrasoft pseudopotentials to the projector augmented-wave method
2天前
已完结
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
2天前
已完结
Computer Simulation Using Particles
2天前
已完结
Revisiting OPLS Force Field Parameters for Ionic Liquid Simulations
2天前
已完结
A well-behaved electrostatic potential based method using charge restraints for deriving atomic charges: the RESP model
2天前
已完结
1.14*CM1A-LBCC: Localized Bond-Charge Corrected CM1A Charges for Condensed-Phase Simulations
2天前
已完结
Development and Testing of the OPLS All-Atom Force Field on Conformational Energetics and Properties of Organic Liquids
2天前
已完结
皖公网安备34019202002308
