Results 151 to 160 of about 3,042,023 (186)

Leveraging Configuration Interaction Singles for Qualitative Descriptions of Ground and Excited States: State-Averaging, Linear-Response, and Spin-Projection. [PDF]

J Chem Theory Comput
Tsuchimochi T, Mokhtar B.
europepmc   +1 more source

From Glaphene to Glaphynes: A Hybridization of Two-Dimensional Silica Glass and Graphynes. [PDF]

ACS Nano
Fabris GSL, de Oliveira RB, Pereira ML, Vajtai R, Ajayan PM, Galvão DS.   +5 more
europepmc   +1 more source

Corrigendum to: "Entropy Scaling-Based Correlation for Estimating the Self-Diffusion Coefficients of Pure Fluids". [PDF]

Ind Eng Chem Res
Dehlouz A, Jaubert JN, Galliero G, Bonnissel M, Privat R.   +4 more
europepmc   +1 more source

Martini Mapper: An Automated Fragment-Based Mapping Algorithm for Developing Coarse-Grained Models within the Martini 3 Framework. [PDF]

J Chem Inf Model
Bigting KV, Nag S, An Y.
europepmc   +1 more source

Self-Consistent Charge Density-Functional Tight-Binding Parametrization for Pt–Ru Alloys

Journal of Physical Chemistry A, 2017
We present a self-consistent charge density-functional tight-binding (SCC-DFTB) parametrization for PtRu alloys, which is developed by employing a training set of alloy cluster energies and forces obtained from Kohn–Sham density-functional theory (DFT ...
Pekka Koskinen, Ashwin Ramasubramaniam
exaly   +2 more sources

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Self-Parametric Instability in Spatially Extended Systems

Physical Review Letters, 2001
Physical Review ...
M, Argentina, P, Coullet, E, Risler
openaire   +2 more sources

Self-parametric amplification in ultrafast fibre lasers

Conference on Lasers and Electro-Optics, 2019
Self-parametric amplification is employed as a novel gain mechanism in ultrafast fibre lasers, which transfers energy from the spectral tails to the center within the laser field. The laser outputs three pulses with different spectra.
Junsong Peng, Heping Zeng
openaire   +1 more source

Triple-State Dissipative Soliton Laser Via Ultrafast Self-Parametric Amplification

Physical Review Applied, 2019
$S\phantom{\rule{0}{0ex}}e\phantom{\rule{0}{0ex}}l\phantom{\rule{0}{0ex}}f\ensuremath{-}p\phantom{\rule{0}{0ex}}a\phantom{\rule{0}{0ex}}r\phantom{\rule{0}{0ex}}a\phantom{\rule{0}{0ex}}m\phantom{\rule{0}{0ex}}e\phantom{\rule{0}{0ex}}t\phantom{\rule{0}{0ex}}r\phantom{\rule{0}{0ex}}i\phantom{\rule{0}{0ex}}c$ $a\phantom{\rule{0}{0ex}}m\phantom{\rule{0}{0ex}
Junsong Peng, Heping Zeng
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Modeling of Substituent Effects: Self-Parametrization, a Case of Interdependence of the Coefficients, Illustrated on the Linear Plus Cross-Term Models

Journal of Mathematical Chemistry, 2001
zbMATH Open Web Interface contents unavailable due to conflicting licenses.
Blaive, B, Ziegler, J
openaire   +1 more source