MAX phases such as Ti3SiC2 have an exciting combination of properties however no single crystals are available to enable measurement of their intrinsic (single crystal - SC)...

B2FIND60

Systematic Data Set for Structure−Property Investigations: Solubility and Solid-State Structure of Alkaline Earth Metal Salts of Benzoates

有机盐溶解度预测

晶体光学性质

A new resource for studying structure property relationships is presented, namely a systematic database of 36 organic salt structures together with phase specific aqueous solubility data. The salts ar

Figshare2016-02-23 更新40

Unveiling the Impact of Aggregation on Optical Anisotropy of Triazaacephenanthrylene Single Crystals. A Combined Quantum Crystallography and Conceptual Density Functional Theory Approach

晶体光学性质

分子自组装机制

Triazaacephenanthrylene (TAAP) triclinic single crystals show substantial optical anisotropy of absorption and fluorescence. The maximum effect can be correlated with the direction perpendicular to th

NIAID Data Ecosystem60

Crystalline Arrays of Pairs of Molecular Rotors: Correlated Motion, Rotational Barriers, and Space-Inversion Symmetry Breaking Due to Conformational Mutations

分子转子动力学

晶体光学性质

The rod-like molecule bis((4-(4-pyridyl)ethynyl)bicyclo[2.2.2]oct-1-yl)buta-1,3-diyne, 1, contains two 1,4-bis(ethynyl)bicyclo[2.2.2]octane (BCO) chiral rotators linked by a diyne fragment and

NIAID Data Ecosystem50

Orientation_dependant_elastic_properies

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