ChemNLP: A Natural Language-Processing-Based Library for Materials Chemistry Text Data (English)
- New search for: Choudhary, Kamal
- Further information on Choudhary, Kamal:
- https://orcid.org/0000-0001-9737-8074
- New search for: Kelley, Mathew L.
- New search for: Choudhary, Kamal
- Further information on Choudhary, Kamal:
- https://orcid.org/0000-0001-9737-8074
- New search for: Kelley, Mathew L.
In:
The Journal of Physical
Chemistry C
;
127
, 35
;
17545-17555
;
2023
- Article (Journal) / Electronic Resource
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Title:ChemNLP: A Natural Language-Processing-Based Library for Materials Chemistry Text Data
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Additional title:J. Phys. Chem. C
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Contributors:Choudhary, Kamal ( author ) / Kelley, Mathew L. ( author )
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Published in:The Journal of Physical Chemistry C ; 127, 35 ; 17545-17555
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Publisher:
- New search for: American Chemical Society
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Publication date:2023-09-07
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ISSN:
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Coden:
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DOI:
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Type of media:Article (Journal)
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Type of material:Electronic Resource
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Language:English
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Source:
Table of contents – Volume 127, Issue 35
The tables of contents are generated automatically and are based on the data records of the individual contributions available in the index of the TIB portal. The display of the Tables of Contents may therefore be incomplete.
- 17307
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Multiobjective Solid Electrolyte Design of Tetragonal and Cubic Inverse-Perovskites for All-Solid-State Lithium-Ion Batteries by High-Throughput Density Functional Theory Calculations and AI-Driven MethodsJalem, Randy / Tateyama, Yoshitaka / Takada, Kazunori / Jang, Seong-Hoon et al. | 2023
- 17324
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Understanding the Influence of Functional Groups on the PEO Composite Electrolytes through a Theoretical, Spectroscopic, and Conduction Behavior Study of Model SystemsHua, Haiming / Yang, Xueying / Zhang, Peng / Zhao, Jinbao et al. | 2023
- 17335
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Mechanistic Insights into Electrocatalytic Carbon−Bromine Bond Cleavage in Polybrominated PhenolsMcKenzie, Eric C. R. / Hosseini, Seyyedamirhossein / Tanwar, Mayank / Neurock, Matthew / Minteer, Shelley D. / Jacobson, Stephen C. et al. | 2023
- 17345
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Atomic Charge Schemes Comparison for Fe Single Atom in Graphitic Carbon: Insights from Quantum Simulations and Machine LearningWang, Zhiyu / Jin, Jirui / Liu, Mingjie et al. | 2023
- 17355
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Polymer-Regulated Electrochemical Reduction of CO2 on AgGuo, Ally / Baumann, Avery E. / Rus, Eric D. / Stafford, Christopher M. / Raciti, David et al. | 2023
- 17366
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Spectroscopic and Spectroelectrochemical Studies on Redox Properties of Zinc Sulfide and Their Consequences on Photocatalytic ActivityMróz, Krystian / Kobielusz, Marcin / Orzeł, Łukasz / Macyk, Wojciech et al. | 2023
- 17377
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n‑Butane Transformation on In-Modified ZSM‑5 Zeolite: A Case Study by 13C MAS NMR and FTIR SpectroscopyGabrienko, Anton A. / Arzumanov, Sergei S. / Lashchinskaya, Zoya N. / Toktarev, Alexander V. / Prosvirin, Igor P. / Stepanov, Alexander G. et al. | 2023
- 17389
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Very Small Nanocrystalline Tin Dioxide Particles: Local-, Crystal-, and Micro-StructureMackert, Viktor / Winter, Thomas / Jackson, Shane / Kalia, Rajiv / Levish, Alexander / Lukic, Sasa / Geiss, Jeremias / Winterer, Markus et al. | 2023
- 17406
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Insights into the Structural Evolution of MoS2 from the Semiconductive 2H to Metallic 1T PhaseHuang, Qizhang / Shen, Jingli / Lu, Yuan / Ye, Rongda / Gong, Sheng et al. | 2023
- 17415
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Physicochemical Characterization of the Hybrid Molybdate–Tungstate Materials for Solid-State LightingCzajka, Justyna / Szczeszak, Agata et al. | 2023
- 17425
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Persistent Photochemical Hole-Burning in the R‑Lines of Tetravalent Manganese in Submicron α‑Al2O3Wahib, Norfadira / Riesen, Hans et al. | 2023
- 17432
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Potential-Tunable Magnetic Field Effects on ElectrochemiluminescencePan, Haiping / Zhou, Jinhao / Liu, Si et al. | 2023
- 17438
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Dynamic Properties of Graphene Oxide Functionalized with l‑CysteineSingh, Rajan / Kar, Rajiv K. et al. | 2023
- 17454
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Directional Control of Transient Flows Generated by Thermoplasmonic Bubble NucleationDara, Pantea / Shanei, Mahdi / Jones, Steven / Käll, Mikael et al. | 2023
- 17460
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Density Functional Theory Study of Local Environment Effects on Oxygen Vacancy Properties in MagnetiteSrivastava, Shivani / Uberuaga, Blas Pedro / Asta, Mark et al. | 2023
- 17473
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Fabrication and Low-Temperature Characterization of Phthalocyanine Molecular Tunnel HeterojunctionsJiang, Xuanyuan / Brooks, Andrew / Liu, Shuanglong / Koptur-Palenchar, John / Quan, Yundi / Hennig, Richard G. / Cheng, Hai-Ping / Zhang, Xiaoguang / Hebard, Arthur F. et al. | 2023
- 17482
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Ternary System CsI–PbI2–BiI3 and Thermodynamic Stability of Cesium Metal Halide Perovskitesvan Hattem, Andries / Alders, Dennis / Konings, Rudy J. M. / Smith, Anna L. et al. | 2023
- 17497
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Simultaneously Probing Gaseous Diffusion and Adsorption Properties in Porous Materials Using Molecular Dynamics SimulationsLin, Min-Hsien / Lin, Li-Chiang et al. | 2023
- 17508
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Learning Optimal Forms of Constitutive Relations Characterizing Ion Intercalation from Data in Mathematical Models of Lithium-Ion BatteriesDaniels, Lindsey / Sahu, Smita / Sanders, Kevin J. / Goward, Gillian R. / Foster, Jamie M. / Protas, Bartosz et al. | 2023
- 17524
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Effect of Flexibility in Molecular Simulations of Carbon Dioxide Adsorption and Diffusion in a Cuprous Triazolate FrameworkBaucom, Tiernan / Budhathoki, Samir / Steckel, Janice A. et al. | 2023
- 17532
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Tuning Novel NaLaS2(1–x)(Se or Te)2x Alloys as Light-Absorbing Materials by Dopant-Induced Crystallographic Phase and Electronic Structure TransitionsAzzouz, Lahcene / Rérat, Michel / Matta, Chérif F. et al. | 2023
- 17545
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ChemNLP: A Natural Language-Processing-Based Library for Materials Chemistry Text DataChoudhary, Kamal / Kelley, Mathew L. et al. | 2023
- 17556
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Bridging Borophene and Metal Surfaces: Structural, Electronic, and Electron Transport PropertiesScopel, Wanderlã L. / Crasto de Lima, F. / Souza, Pedro H. / Padilha, José E. / Miwa, Roberto H. et al. | 2023
- 17567
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Light Atomic Mass Induces Low Lattice Thermal Conductivity in Janus Transition-Metal Dichalcogenides MSSe (MMo, W)Sun, Jianshi / Chen, Ge / Li, Shouhang / Liu, Xiangjun et al. | 2023
- 17575
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Uncovering the Thermal Conductivity Anisotropy of Highly Deformed Graphene/Epoxy CompositesMotezaker, Mohsen / Liu, Qingchang / Xu, Baoxing et al. | 2023
- 17584
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Zinc Selective Interactions of Porphyrins Aid Conversion of Nanoaggregates into Luminescent Microstructures: Toward the Development of a Sensing PlatformPattam, Hrishikesan Kalpakassery / Jadhav, Ashok Badrinarayan / Cheran, Arunima / Marydasan, Betsy / Kumar, Jatish et al. | 2023
- 17592
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Pr-Doping Effect on Spin Switching in Nd0.8Pr0.2FeO3 Single CrystalSun, Zhiqiang / Song, Huan / Zhu, Shuang / Ma, Xiaoxuan / Yang, Wanting / Shi, Chenfei / Kang, Baojuan / Jia, Rongrong / Bao, Jin-Ke / Cao, Shixun et al. | 2023
- 17599
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Staged Training of Machine-Learning Potentials from Small to Large Surface Unit Cells: Efficient Global Structure Determination of the RuO2(100)‑c(2 × 2) Reconstruction and (410) VicinalLee, Yonghyuk / Timmermann, Jakob / Panosetti, Chiara / Scheurer, Christoph / Reuter, Karsten et al. | 2023
- 17609
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Ab Initio Molecular Dynamics Simulation Study on Phosphorus/Boron Co-Doped Si Nanocrystals/SiO2 Core/Shell StructuresHan, Junnan / Li, Dongke / Chen, Jiaming / Sun, Teng / Wang, Yuhao / Pi, Xiaodong / Li, Wei / Xu, Ling / Xu, Jun / Chen, Kunji et al. | 2023
- 17617
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Tuning the Growth Process of Perovskite Single Crystal for Enhanced X‑ray Detection StabilityGeng, Cong / Feng, Yanxing / Chen, Quanlin / Jiang, Yuanzhi / Qaid, Saif M. H. / Yuan, Mingjian et al. | 2023
- 17624
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Balancing the Push–Pull Effect on the Synthesis and Fluorescent Properties of New ESIPT Dyes for Thin Film ApplicationsArenhart Soares, Franciela / Martinez-Denegri, Guillermo / Baptista, Luis Andre / Ślęczkowski, Piotr / Steinbüchel, Alexander et al. | 2023