Results 141 to 150 of about 6,367,328 (195)

Mixed Metal Amide-Hydride Solid Solutions for Potential Energy Storage Applications. [PDF]

Inorg Chem
Le TT, Bordignon S, Chierotti MR, Shang Y, Schökel A, Klassen T, Pistidda C.   +6 more
europepmc   +1 more source

Implementation and Validation of an OpenMM Plugin for the Deep Potential Representation of Potential Energy. [PDF]

Int J Mol Sci
Ding Y, Huang J.
europepmc   +1 more source

Reply to the 'Comment on "Mapping photoisomerization dynamics on a three-state model potential energy surface in bacteriorhodopsin using femtosecond stimulated Raman spectroscopy"' by I. Schapiro, M. Olivucci, K. Heyne and S. Haacke, <i>Chem. Sci.</i>, 2025, <b>16</b>, DOI: 10.1039/D5SC05038C. [PDF]

Chem Sci
Wang Z, Liu B, Li H, Liu W.
europepmc   +1 more source

Modeling of methane emissions from waste disposal sites at selected Egyptian governorates and potential energy production from waste-to-energy projects. [PDF]

Sci Rep
Mohamed Naguib Mohamed Khafagy S, El Sammak A, Emara K.   +2 more
europepmc   +1 more source

Some of the next articles are maybe not open access.

Related searches:

Potential energy functions

Current Opinion in Structural Biology, 1995
When energy is a critical quantity, accurate biomolecular simulations rest in substantial part on accurate potential energy functions (force fields). Improvements in methodology for determining parameters--particularly, in the systematic use of computational data obtained from quantum chemical calculations--and enhancements in functional form are ...
openaire   +2 more sources

Potential Energy and Free Energy Landscapes

The Journal of Physical Chemistry B, 2006
Familiar concepts for small molecules may require reinterpretation for larger systems. For example, rearrangements between geometrical isomers are usually considered in terms of transitions between the corresponding local minima on the underlying potential energy surface, V.
David J, Wales, Tetyana V, Bogdan
openaire   +2 more sources

Mapping potential energy surfaces

The Journal of Chemical Physics, 2004
A recently proposed dynamical method [A. Laio and M. Parrinello, Proc. Natl. Acad. Sci. U.S.A. 99, 12562 (2002)] allows us to globally sample the free energy surface. This approach uses a coarse-grained non-Markovian dynamics to bias microscopic atomic trajectories.
Yudong, Wu, Jeffrey D, Schmitt, Roberto, Car   +2 more
openaire   +2 more sources

Energy Potential Mapping for Energy-Producing Neighborhoods

International Journal of Sustainable Building Technology and Urban Development, 2011
Over the past five years, the method of energy potential mapping (EPM) has evolved from a cartoonish charting of climatic features with energy consequences to a detailed methodology for the development of spatial plans based on energy-effective foundations.
van den Dobbelsteen, A., Broersma, S., Stremke, S.   +2 more
openaire   +1 more source

Potential energy surfaces

Journal of Chemical Education, 1987
It appears that it is not generally recognized that all molecules with the same molecular formula represent local minima on a single PE surface.
C. E. Moore, Allan Banks, H. H. Jaffe
openaire   +1 more source

High-Energy Potential Scattering

Physical Review, 1957
Asymptotically in the limit of high energies, successive approximations arc obtained for the problem of potential scattering where the total phase shift through the potential is not small. Only the Schrodinger wave equation is treated. The method consists of first applying the stationary-phase approximation to the integral equation and then solving the
openaire   +1 more source