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JARVIS-DFT
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创建时间：
2020-07-14
相关数据集
Materials Data on CaSO6 by Materials Project
CaSO4O2 crystallizes in the monoclinic P2_1/c space group. The structure is two-dimensional and consists of four hydrogen peroxide molecules and two CaSO4 sheets oriented in the (0, 1, 0) direction. I
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Database on ANN-Based Performance Evaluation of Composite Recycled Mortar
The recycling of construction waste is crucial for environmental preservation and sustainable progress. By integrating construction waste into mortar production, substantial reductions in carbon emiss
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Synthesis of a Heterobimetallic Rhodium−Iron Complex Containing an η 3 -Interaction between Rhodium and the B−C ipso −C ortho Unit of a Triarylborane
Reaction of [{RhCl(CO)2}2] with a phosphine/thioether/borane ligand (TXPB) gave [Rh(μ-Cl)(CO)(TXPB)] (1), a rare example of a complex containing a M−Cl−BR3 bridging interaction. Reaction of 1 with K[C
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Electronic Structure and FeNO Conformation of Nonheme Iron−Thiolate−NO Complexes: An Experimental and DFT Study
Reactions of NO and CO with Fe(II) complexes of the tripodal trithiolate ligands NS3 and PS3* yield trigonal-bipyramidal (TBP) complexes with varying redox states and reactivity patterns with respect
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