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Sensitivity of 31 P NMR chemical shifts to hydrogen bond geometry and molecular conformation for complexes of phosphinic acids with pyridines

• Authors : Ivan S. Giba; Valeriia V. Mulloyarova; Peter M. Tolstoy

Subjects: 010405 organic chemistry; Hydrogen bond; Chemical shift

• Source: Magnetic Resonance in Chemistry. 59:465-477

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Impact of Crystal Structure and Molecular Conformation on the Hydration Kinetics of Fluconazole

• Authors : Robert Docherty; Michael Cram; Kevin Back

Subjects: 010405 organic chemistry; Chemistry; General Chemistry

• Source: Basford, P, Back, K R, Cram, M, Docherty, R, Davey, R J & Cruz-cabeza, A J 2019, ' The Impact of Crystal Structure and Molecular

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The Singular Molecular Conformation of Humic Acids in Solution Influences Their Ability to Enhance Root Hydraulic Conductivity and Plant Growth

• Authors : José María García-Mina; Roberto Baigorri; Angel M. Zamarreño

Subjects: 0106 biological sciences; Plant growth; Molecular Conformation

• Source: MoleculesMolecules, Vol 26, Iss 3, p 3 (2021)CONICET Digital (CONICET)Consejo Nacional de Investigaciones Científicas y Técnicasinstacron:CONICETVolume 26Issue 1

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Four 1-aryl-1H-pyrazole-3,4-dicarboxylate derivatives: synthesis, molecular conformation and hydrogen bonding

• Authors : Hemmige S. Yathirajan; Balakrishna Kalluraya; Christopher Glidewell ...

Subjects: Hydrogen bonding; crystal structure; synthesis

• Source: Acta Crystallographica Section E: Crystallographic Communications, Vol 74, Iss 12, Pp 1783-1789 (2018)

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Molecular Conformation-Dependent Mechanoluminescence: Same Mechanical Stimulus but Different Emissive Color over Time

• Authors : Zhen Li; Jianwen Qin; Manman Fang

Subjects: Photoluminescence; Phenothiazine derivative; Materials science

• Source: Angewandte Chemie. 130:14370-14374

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Novel Physics-Based Ensemble Modeling Approach That Utilizes 3D Molecular Conformation and Packing to Access Aqueous Thermodynamic Solubility: A Case Study of Orally Available Bromodomain and Extraterminal Domain Inhibitor Lead Optimization Series

• Authors : Alessandra Mattei; Rajni Miglani Bhardwaj; Ahmad Y. Sheikh

Subjects: Aqueous solution; 010304 chemical physics; Ensemble forecasting

• Source: Journal of chemical information and modeling. 61(3)

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Different molecular conformation and packing determining mechanochromism and room-temperature phosphorescence

• Authors : Jinfeng Wang; Heping Shi; Aisen Li

Subjects: Diffraction; Materials science; Carbazole

• Source: Science China Materials. 64:2813-2823

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In situsurface-enhanced Raman spectroelectrochemistry reveals the molecular conformation of electrolyte additives in Li-ion batteries

• Authors : Chenghao Fan; Chenbo Zhu; Wei Xie

Subjects: Battery (electricity); Technology; Materials science

• Source: Journal of Materials Chemistry. aJournal of Materials Chemistry A

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Cyclophane Molecules Exhibiting Thermally Activated Delayed Fluorescence: Linking Donor Units to Influence Molecular Conformation

• Authors : Andrei S. Batsanov; Jonathan S. Ward; Mark A. Fox

Subjects: 010405 organic chemistry; Stereochemistry; Organic Chemistry

• Source: Journal of organic chemistry, 2021, Vol.86(1), pp.429-445 [Peer Reviewed Journal]

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A kernel-based approach to molecular conformation analysis

• Authors : Ingmar Schuster; Christof Schütte; Stefan Klus

Subjects: FOS: Computer and information sciences; Computer Science - Machine Learning; Dynamical systems theory

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