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Materials Data on MnBO3 (SG:174) by Materials Project

None Available2014-01-01OSTI OAI (U.S. Department of Energy Office of Scientific and Technical Information)

Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations

X-ray Diffraction in Crystallography

Materials Data on K2LiVO4 (SG:12) by Materials Project

None Available2014-01-01OSTI OAI (U.S. Department of Energy Office of Scientific and Technical Information)

Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations

Advanced ceramic materials synthesisX-ray Diffraction in CrystallographyMicrowave Dielectric Ceramics Synthesis

Materials Data on Rb2NiH12(SO7)2 (SG:14) by Materials Project

None Available2014-01-01OSTI OAI (U.S. Department of Energy Office of Scientific and Technical Information)

Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations

Advanced NMR Techniques and ApplicationsSolid-state spectroscopy and crystallography

Materials Data on Li3Fe4(BO3)4 (SG:1) by Materials Project

None Available2014-01-01OSTI OAI (U.S. Department of Energy Office of Scientific and Technical Information)

Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations

X-ray Diffraction in CrystallographyCrystal Structures and Properties

Coarse-grained simulation of recovery in thermally activated shape-memory polymers

Brendan Abberton、Wing Kam Liu、Sinan Keten2014-01-01Purdue e-Pubs (Purdue University System)

Thermally actuated shape-memory polymers (SMPs) are capable of being programmed into a temporary shape and then recovering their permanent reference shape upon exposure to heat, which facilitates a phase transition that allows dramatic increase in molecular mobility. Experimental, analytical, and computational studies…

Polymer composites and self-healing

Materials Data on Li2Fe(PO3)4 (SG:14) by Materials Project

None Available2014-01-01OSTI OAI (U.S. Department of Energy Office of Scientific and Technical Information)

Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations

X-ray Diffraction in CrystallographyAdvancements in Battery MaterialsGraphite, nuclear technology, radiation studies

Materials Data on Cu5O7 (SG:63) by Materials Project

None Available2014-01-01OSTI OAI (U.S. Department of Energy Office of Scientific and Technical Information)

Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations

Pigment Synthesis and PropertiesMetallurgical Processes and ThermodynamicsX-ray Diffraction in Crystallography

Materials Data on Li3Fe3NiO8 (SG:166) by Materials Project

None Available2014-01-01OSTI OAI (U.S. Department of Energy Office of Scientific and Technical Information)

Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations

Advancements in Battery MaterialsX-ray Diffraction in Crystallography

Materials Data on Li6Mn5Fe(BO3)6 (SG:6) by Materials Project

None Available2014-01-01OSTI OAI (U.S. Department of Energy Office of Scientific and Technical Information)

Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations

X-ray Diffraction in Crystallography

Materials Data on Cr2HgO7 (SG:145) by Materials Project

None Available2014-01-01OSTI OAI (U.S. Department of Energy Office of Scientific and Technical Information)

Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations

Pigment Synthesis and PropertiesX-ray Diffraction in Crystallography

Reactions of trinuclear platinum clusters with electrophiles: ionisation isomerism with [Pt3(μ2-I)(μ-PPh2)2(PPh3)3]I and [Pt3(μ-PPh2)2I2(PPh3)3]. Structures of [Pt3(μ2-Cl)(μ-PPh2)2(PPh3)3]PF6, [Pt3(μ-PPh2)2I2(PPh3)3] and of the Pt-Ag cluster [Pt3{μ3-AgBF4}(μ2-I)(μ-PPh2)2(PPh3)3]BF4

C. Archambault、R. Bender、P. Braunstein 等 5 位作者2014-01-01HAL (Le Centre pour la Communication Scientifique Directe)

International audience

Magnetism in coordination complexesNanocluster Synthesis and ApplicationsOrganometallic Complex Synthesis and Catalysis

Materials Data on VOF2 (SG:2) by Materials Project

None Available2014-01-01OSTI OAI (U.S. Department of Energy Office of Scientific and Technical Information)

Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations

Ga2O3 and related materialsSilicone and Siloxane ChemistryInorganic Fluorides and Related Compounds

Materials Data on Sr2Co(PO4)2 (SG:14) by Materials Project

None Available2014-01-01OSTI OAI (U.S. Department of Energy Office of Scientific and Technical Information)

Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations

Luminescence Properties of Advanced MaterialsMicrowave Dielectric Ceramics SynthesisNuclear materials and radiation effects

Materials Data on LiVCrP2(O4F)2 (SG:1) by Materials Project

None Available2014-01-01OSTI OAI (U.S. Department of Energy Office of Scientific and Technical Information)

Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations

Nuclear materials and radiation effectsPigment Synthesis and PropertiesX-ray Diffraction in Crystallography

Materials Data on Li2CoPCO7 (SG:11) by Materials Project

None Available2014-01-01OSTI OAI (U.S. Department of Energy Office of Scientific and Technical Information)

Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations

Advanced ceramic materials synthesisMolten salt chemistry and electrochemical processes

Materials Data on KSbMoO5 (SG:14) by Materials Project

None Available2014-01-01OSTI OAI (U.S. Department of Energy Office of Scientific and Technical Information)

Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations

Luminescence Properties of Advanced MaterialsX-ray Diffraction in CrystallographyFerroelectric and Piezoelectric Materials

Materials Data on LiMnBO3 (SG:2) by Materials Project

None Available2014-01-01OSTI OAI (U.S. Department of Energy Office of Scientific and Technical Information)

Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations

X-ray Diffraction in Crystallography

Materials Data on WOF4 (SG:14) by Materials Project

None Available2014-01-01OSTI OAI (U.S. Department of Energy Office of Scientific and Technical Information)

Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations

Inorganic Chemistry and MaterialsLuminescence Properties of Advanced MaterialsInorganic Fluorides and Related Compounds

Materials Data on VZnO2 (SG:1) by Materials Project

None Available2014-01-01OSTI OAI (U.S. Department of Energy Office of Scientific and Technical Information)

Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations

Gas Sensing Nanomaterials and SensorsTransition Metal Oxide Nanomaterials