Articles with "molecular geometries" as a keyword



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Stabilizing Differential Interfacial Curvatures by Mismatched Molecular Geometries: Toward Polymers with Percolating 1 nm Channels of Gyroid Minimal Surfaces.

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Published in 2022 at "ACS nano"

DOI: 10.1021/acsnano.2c09103

Abstract: Soft materials with self-assembled networks possess saddle-shaped interfaces with distributed negative Gaussian curvatures. The ability to stabilize such a geometry is critically important for various applications but can be challenging due to the possibly "deficient"… read more here.

Keywords: differential interfacial; interfacial curvatures; minimal surfaces; curvatures mismatched ... See more keywords

Computational study of molecular geometries, and vibrational characteristics of two liquid crystalline disubstituted biphenylcyclohexanes using ab-initio methods

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Published in 2019 at "Molecular Crystals and Liquid Crystals"

DOI: 10.1080/15421406.2019.1655975

Abstract: Abstract The present article deals with computational study of molecular geometries, electronic properties, and vibrational characteristics using the density functional theory (DFT) and Hartree-Fock methods supplemented with basis set 6-31++G(d.p) at Gaussion-09 program. The Raman… read more here.

Keywords: vibrational characteristics; molecular geometries; study molecular; computational study ... See more keywords