Identifying Structure and Texture of Metal-Organic Framework Cu2(bdc)2(dabco) Thin Films by Combining X‑ray Diffraction and Quantum Mechanical Modeling [0.03%]
结合X射线衍射和量子力学模拟识别金属有机框架Cu2(bdc)2(dabco)薄膜的结构与形貌
Mario Fratschko,Nina Strasser,Narges Taghizade et al.
Mario Fratschko et al.
This study describes a strategy for unambiguously determining metal-organic framework (MOF) thin film structures, which is demonstrated for a pillar-layer MOF consisting of Cu paddlewheel nodes connected by benzene-1,4-dicarboxylate (bdc) l...
Interrogation of the Intermolecular Forces That Drive Bulk Properties of Molecular Crystals with Terahertz Spectroscopy and Density Functional Theory [0.03%]
基于太赫兹光谱和密度泛函理论的分子晶体宏观性质背后的作用力研究
William B Stoll,Peter A Banks,Steven G Dannenberg et al.
William B Stoll et al.
Identifying and characterizing intermolecular forces in the condensed phase is crucial for understanding both micro- and macroscopic properties of solids; ranging from solid-state reactivity to thermal expansion. Insight into these interact...
An Integrated Experimental and Modeling Approach for Crystallization of Complex Biotherapeutics [0.03%]
复杂生物药物结晶的集成实验与模拟方法学研究
Vivekananda Bal,Moo Sun Hong,Jacqueline M Wolfrum et al.
Vivekananda Bal et al.
Crystallization of proteins, specifically proteins of medical relevance, is performed for various reasons, such as to understand the protein structure and to design therapies. Obtaining kinetic constants in rate laws for nucleation and grow...
Mapping the Crystallographic Landscape of Antivitamin Ionic Liquids: Structural Blueprints for Novel Architectures [0.03%]
抗维生素离子液体的晶体学景观映射：新型架构的结构蓝图
Clare McNeill,Marija Scheuren,Joseph Cooper et al.
Clare McNeill et al.
This work presents the first in-depth crystallographic study of antivitamin-derived ionic liquids. Seven new amprolium salts incorporating hallmark ionic-liquid anions such as bis-(trifluoromethanesulfonyl)-imide (NTf2 -), bis-(pentafluoroe...
Epitaxial Growth of CaTiO3 Thin Films by Metal Organic Vapor Phase Epitaxy for Potential Applications in Memristive Devices [0.03%]
用于忆阻器器件的旋涂CaTiO_3薄膜的外延生长
Mohamed Abdeldayem,Chang-Ming Liu,Izaz-Ali Shah et al.
Mohamed Abdeldayem et al.
Calcium titanate thin films with high structural quality were grown heteroepitaxially on perovskite oxide substrates using the liquid-delivery spin metal-organic vapor phase epitaxy (MOVPE) technique. To determine the growth window, suitabl...
Paolo Accordini,Joeri Takke,Willem J P van Enckevort et al.
Paolo Accordini et al.
This work describes the growth, (surface) morphology, and defect structure of mesocrystals composed of lead selenide (PbSe) nanocrystals enveloped by a corona of oleate ligands. Three crystal growth methods are explored to reproducibly obta...
Mechanism of Self-Assembled Cubic InGaN/GaN Quantum Well Formation in Metal-Modulated Molecular Beam Epitaxy [0.03%]
金属调制分子束外延中立方自组装铟镓氮/氮化镓量子阱的形成机制
Mario F Zscherp,Silas A Jentsch,Vitalii Lider et al.
Mario F Zscherp et al.
Alternating metal-modulated molecular beam epitaxy enables the growth of both self-assembled c-InGaN/GaN quantum wells and fully alloyed c-InGaN layers. In situ reflection high-energy electron diffraction (RHEED) analysis coupled with ex si...
Cation-Induced Structural Diversity in the Cobalt(II)/Nitranilato System: A Monomer, a Dimer, a Trimer and a Chain [0.03%]
钴（II）/硝基茋系统中阳离子诱导的结构多样性：单体、二聚体、三聚体和链状结构
Cristina Pintado-Zaldo,Louise Bureller,Gonzalo de Joz-Latorre et al.
Cristina Pintado-Zaldo et al.
Herein, we show how it is possible to prepare a monomer, a dimer, a trimer and a chain with cobalt-(II) and the ligand nitranilato (3,6-dinitro-2,5-dihydroxy-1,4-benzoquinone dianion = C6O4(NO2)2 2- = NA2-) by simply changing the counter-ca...
Discovery of Cilnidipine Cocrystals with Enhanced Dissolution by the Use of Computational Tools and Semiautomatic High-Throughput Screening [0.03%]
基于计算工具和半自动高通量筛选的硝苯地平共晶的发现及溶解度提升研究
Matteo Guidetti,Rolf Hilfiker,Susan M De Paul et al.
Matteo Guidetti et al.
Cocrystals are an attractive option for overcoming drug limitations, such as a low dissolution rate and absorption of poorly water-soluble compounds. Nevertheless, the discovery of new cocrystals remains a trial-and-error approach in which ...
Bhaskar Tiwari,Hanns-Peter Liermann,Simon Parsons et al.
Bhaskar Tiwari et al.
The effect of high pressure on ribavirin, a broad-spectrum antiviral consisting of ribofuranosyl triazole, and carboxamide moieties, has been studied up to ∼10 GPa. Three new high-pressure phases, designated V3, V4 and V5, have been obtain...