Organic-inorganic compounds with strong nonlinear optical properties based on 2,4,6-trimethylpyridinium and tetrahedral BF4−networks

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Organic-inorganic compounds with strong nonlinear optical properties based on 2,4,6-trimethylpyridinium and tetrahedral BF4−networks

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im April 2011 veröffentlichter wissenschaftlicher Artikel

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wetenschappelijk artikel

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наукова стаття, опублікована у квітні 2011

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Organic-inorganic compounds wi ...... m and tetrahedral BF4−networks

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Organic-inorganic compounds wi ...... m and tetrahedral BF4−networks

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Organic-inorganic compounds wi ...... m and tetrahedral BF4−networks

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Organic-inorganic compounds wi ...... m and tetrahedral BF4−networks

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Organic-inorganic compounds wi ...... m and tetrahedral BF4−networks

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Organic-inorganic compounds wi ...... m and tetrahedral BF4−networks

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P1476

Organic-inorganic compounds wi ...... m and tetrahedral BF4−networks

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Adam Pietraszko

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Andrzej Bil

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Dmitry Isakov

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Maciej Wojtaś

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Olaf Czupiński

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Ryszard Jakubas

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Zbigniew Tylczyński

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P2860

Generalized Gradient Approximation Made Simple

Special points for Brillouin-zone integrations

Accurate Molecular Van Der Waals Interactions from Ground-State Electron Density and Free-Atom Reference Data

QUANTUM ESPRESSO: a modular and open-source software project for quantum simulations of materials

Accurate description of van der Waals complexes by density functional theory including empirical corrections.

Dispersion corrections to density functionals for water aromatic interactions.

Density functional theory with dispersion corrections for supramolecular structures, aggregates, and complexes of (bio)organic molecules.

Organic ferroelectrics.

Density functional theory augmented with an empirical dispersion term. Interaction energies and geometries of 80 noncovalent complexes compared withab initioquantum mechanics calculations

A density functional for sparse matter.

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scholarly article

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10.1103/PHYSREVB.83.144103

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English

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Anna Gągor

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2011-04-08T00:00:00Z

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234065568

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