Phrases with «theory calculations»

"Theory calculations" refers to mathematical or scientific computations used to develop explanations or predictions based on a particular theory or set of principles. It involves using equations, models, or simulations to analyze and understand the phenomena or systems described by the theory. Full definition

theory calculations

density functional theory calculations

Sentences with «theory calculations»

Molecular dynamics and density functional theory calculations provide mechanistic insights into the reaction steps. (science.sciencemag.org)
The catalytic action of individual Ni atoms at the edges of a growing graphene flake was directly captured by scanning tunneling microscopy imaging at the millisecond time scale, while force field molecular dynamics and density functional theory calculations rationalize the experimental observations. (science.sciencemag.org)
Density functional theory calculations suggest the formation of highly active surface layers during strontium leaching with IrO3 or anatase IrO2 motifs. (science.sciencemag.org)
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Phrases with «theory calculations»

Sentences with «theory calculations»

See also