Results 131 to 140 of about 338,762 (168)

Tetragraphene-Based Nanotubes Under Temperature Effects: Atomistic Insights into Nanostructural Degradation via Reactive Molecular Dynamics. [PDF]

Nanomaterials (Basel)
Sousa JM.
europepmc   +1 more source

Sonification of molecular electronic energy density and its dynamics. [PDF]

RSC Adv
Arasaki Y, Takatsuka K.
europepmc   +1 more source

Accurate Atomic Correlation and Total Energies for Correlation-Consistent Effective Core Potentials II: Rb-Xe Elements. [PDF]

J Chem Theory Comput
Shaikh A, Madany O, Kincaid B, Mitas L.
europepmc   +1 more source

Conditional Values in Quantum Mechanics. [PDF]

Entropy (Basel)
Cohen L.
europepmc   +1 more source

N-representable one-electron reduced density matrix reconstruction with frozen core electrons. [PDF]

Acta Crystallogr A Found Adv
Yu S, Gillet JM.
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Random Transitions of a Binary Star in the Canonical Ensemble. [PDF]

Entropy (Basel)
Chavanis PH.
europepmc   +1 more source

Computational design of low-volatility lubricants for space using interpretable machine learning. [PDF]

J Cheminform
Miliate D, Martini A.
europepmc   +1 more source

Unitary Entities Are the True "Atoms". [PDF]

Entropy (Basel)
Jeynes C, Parker MC.
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Thermally Activated Stress Relaxation and Creep in Ideal Hydrogel Elastomers: Rupture of Tensile Strands. [PDF]

ACS Polym Au
Lin CJ, Kao YC, Tsao HK, Sheng YJ.
europepmc   +1 more source

Molecular Modeling of Triethyl Phosphate: Extension and Validation of the TraPPE Force Field. [PDF]

J Phys Chem B
Jomon G, Flores Roman SA, Kolesnikov AL, Gor GY.   +3 more
europepmc   +1 more source