Results 241 to 250 of about 1,367,655 (261)

Perovskite lead-free dielectrics for energy storage applications

Progress in Materials Science, 2019
Shujun Zhang, Jing-Feng Li, Fei Li
exaly  

Insights into Protein–Protein Binding by Binding Free Energy Calculation and Free Energy Decomposition for the Ras–Raf and Ras–RalGDS Complexes

Journal of Molecular Biology, 2003
Christina Kiel, Holger Gohlke, David A. Case   +2 more
exaly  

Simulation of activation free energies in molecular systems

Journal of Chemical Physics, 1996
Martin Karplus
exaly  

Carbon-Based Metal-Free Electrocatalysis for Energy Conversion, Energy Storage, and Environmental Protection

Electrochemical Energy Reviews, 2018
Liming Dai, Yuqin Zou, Chuangang Hu
exaly  

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

Journal of Physical Chemistry B, 2006
Christopher Cramer, Donald Truhlar, Donald G Truhlar*   +2 more
exaly  

Adaptive biasing force method for scalar and vector free energy calculations

Journal of Chemical Physics, 2008
Andrew Pohorille, Eric F Darve
exaly  

MMPBSA.py: An Efficient Program for End-State Free Energy Calculations

Journal of Chemical Theory and Computation, 2012
Holger Gohlke, Adrian Roitberg, Nadine Homeyer   +2 more
exaly  

Single-Ion Solvation Free Energies and the Normal Hydrogen Electrode Potential in Methanol, Acetonitrile, and Dimethyl Sulfoxide

Journal of Physical Chemistry B, 2007
Christopher Cramer, Donald Truhlar, Donald G Truhlar*   +2 more
exaly  

Gibbs Free Energy

2011
openaire   +1 more source

Free Energy

2011
  +4 more sources