Results 211 to 219 of about 1,314,905 (219)

Using surface free energy method to study the cohesion and adhesion of asphalt mastic

Construction and Building Materials, 2013
Yiqiu Tan, Meng Guo
exaly  

Realizing Small Energy Loss of 0.55 eV, High Open‐Circuit Voltage >1 V and High Efficiency >10% in Fullerene‐Free Polymer Solar Cells via Energy Driver

Advanced Materials, 2017
Cenqi Yan, Xiaowei Zhan, Pei Cheng
exaly  

A Recipe for the Computation of the Free Energy Barrier and the Lowest Free Energy Path of Concerted Reactions†

Journal of Physical Chemistry B, 2005
Parrinello Michele, Alessandro Laio, Michael L Klein   +2 more
exaly  

Free Energy of Adsorption of Water and Metal Ions on the {101̄4} Calcite Surface

Journal of the American Chemical Society, 2004
Sébastien Kerisit, Stephen Parker
exaly  

A New Maximum Likelihood Approach for Free Energy Profile Construction from Molecular Simulations

Journal of Chemical Theory and Computation, 2013
Brian Radak, Anna Pabis, Darrin York
exaly  

String method in collective variables: Minimum free energy paths and isocommittor surfaces

Journal of Chemical Physics, 2006
Alexander Fischer, Eric Vanden-Eijnden, Luca Maragliano   +2 more
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  

Calculation of the aqueous solvation free energy of the proton

Journal of Chemical Physics, 1998
exaly  

The free energy for hydrolysis of a microtubule-bound nucleotide triphosphate is near zero: all of the free energy for hydrolysis is stored in the microtubule lattice [published erratum appears in J Cell Biol 1995 Apr;129(2):549]

Journal of Cell Biology, 1994
exaly