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Multimer Embedding Approach for Molecular Crystals up to Harmonic Vibrational Properties. [PDF]
J Chem Theory Comput, 2022 Accurate calculations of molecular crystals are crucial for drug design and crystal engineering. However, periodic high-level density functional calculations using hybrid functionals are often prohibitively expensive for relevant systems. These expensive periodic calculations can be circumvented by the usage of embedding methods in which for instance ...
Hoja J, List A, Boese AD.
europepmc +2 more sources
Acta Universitatis Lodziensis: Folia Sociologica, 2021 Celem artykułu jest ustalenie, czy wielkość miejscowości zamieszkania ma wpływ na deklaracje odnoszące się do wyróżnionych wartości związanych z rodziną, które w istotny sposób orientują działanie człowieka i tym samym tworzą zasady życia społecznego ...
Aleksandra Hoja
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Does repetitive thinking mediate the relationship between self-compassion and competition anxiety in athletes? [PDF]
, 2021 Due to the promising effect of self-compassion interventions in sports, it was the main goal of this study to investigate, if two aspects of repetitive thinking, worry and rumination, mediate the possible relation of self-compassion on competition ...
Hoja S., Jansen P., Meneghetti C.
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Potencial bioactivo de los residuos del cultivo de fresa (Fragaria x ananassa) en Costa Rica
Revista Colombiana de Investigaciones Agroindustriales, 2022 El fruto de la fresa (Fragaria x ananassa) es un alimento ampliamente consumido a nivel mundial, y al cual se le han atribuido una amplia gama de propiedades beneficiosas para la salud humana, mayoritariamente asociadas a su potencial antioxidante.
Karla Melissa Salas-Arias +2 more
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QM7-X: A comprehensive dataset of quantum-mechanical properties spanning the chemical space of small organic molecules [PDF]
Sci. Data 8, 43 (2021), 2020 We introduce QM7-X, a comprehensive dataset of 42 physicochemical properties for $\approx$ 4.2 M equilibrium and non-equilibrium structures of small organic molecules with up to seven non-hydrogen (C, N, O, S, Cl) atoms. To span this fundamentally important region of chemical compound space (CCS), QM7-X includes an exhaustive sampling of (meta-)stable ...
arxiv +1 more source
Regeneration of the rat gastrocnemius muscle from sibling and non-sibling muscle fragments [PDF]
, 1970 Regeneration of the gastrocnemius muscle from minced transplanted muscle fragments was studied in 46 rats. The jumping complex of muscles (gastrocnemius, soleus and plantaris) was removed from the donor and minced into 1 mm 3 fragments.
Carlson +12 more
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Terra Latinoamericana, 2020 Lisianthus es una planta ornamental, que en los últimos años adquirió una gran importancia en el mercado nacional e internacional por su belleza y variedad de colores, este cultivo tradicionalmente se establece en suelo y hay poca información en relación
Daniela Rodríguez-Serrano +3 more
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Use of CAE-Systems at Evaluation of Shock Absorbers for Metallurgical Equipment
MATEC Web of Conferences, 2016 Work presents results of strength calculations of absorber elastic element that were done by CAE-system and standard method of calculating. It is shown, that use of FEM software allows studying thoroughly the distribution of appropriate stresses on ...
Artiukh Viktor +2 more
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Primer informe sobre heteroblastia en protofilas de tacaco (Sechium tacaco)
Tecnología en Marcha, 2022 El objetivo del trabajo fue realizar observaciones en las protofilas de plántulas de tacaco. Se sembraron 50 semillas de tacaco, y se evaluaron las protofilas de las plántulas emergidas, hasta los 91 días después de siembra. Se encontraron protofilas con
José Eladio Monge-Pérez +1 more
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