Works matching DE "ATOMIC radius"

Results: 276

Cellular Applications of DNP Solid‐State NMR – State of the Art and a Look to the Future.

Published in:

Chemistry - A European Journal, 2024, v. 30, n. 28, p. 1, doi. 10.1002/chem.202400323

By:

Beriashvili, David;
Zhou, Jiaxin;
Liu, Yangping;
Folkers, Gert E.;
Baldus, Marc

Publication type:

Article

More Electropositive is More Electronegative: Atom Size Determines C=X Group Electronegativity.

Published in:

Chemistry - A European Journal, 2024, v. 30, n. 15, p. 1, doi. 10.1002/chem.202304161

By:

Nieuwland, Celine;
Verdijk, Ron;
Fonseca Guerra, Célia;
Bickelhaupt, F. Matthias

Publication type:

Article

Barbier Polymerization‐Induced Emission towards Fully Substituted Polyethylene Analogues with Non‐Traditional Intrinsic Luminescence.

Published in:

Chemistry - A European Journal, 2024, v. 30, n. 7, p. 1, doi. 10.1002/chem.202303292

By:

Xiao, Hang;
Shi, Quan‐Xi;
Li, Qian;
Cai, Hua‐Wen;
Sun, Xiao‐Li;
Wan, Wen‐Ming;
Qian, Qing‐Rong

Publication type:

Article

Reagent‐Controlled Regioselective Intramolecular [2+2] Cycloaddition between Vinylsilanes and Allenes.

Published in:

Chemistry - A European Journal, 2023, v. 29, n. 17, p. 1, doi. 10.1002/chem.202203556

By:

Yoshioka, Shohei;
Takehara, Tsunayoshi;
Suzuki, Takeyuki;
Arisawa, Mitsuhiro

Publication type:

Article

Tool wear evolution and chip formation of the Ti-6Al-4V end milling under cryogenic cooling and minimum quantity lubrication conditions.

Published in:

International Journal of Advanced Manufacturing Technology, 2024, v. 130, n. 1/2, p. 589, doi. 10.1007/s00170-023-12704-3

By:

Joo, Jihun;
Kim, Jisoo;
Yang, Sang Min;
Park, Hyung Wook;
Kim, Do Young

Publication type:

Article

A scale of atomic magnetizability.

Published in:

Theoretical Chemistry Accounts: Theory, Computation, & Modeling, 2021, v. 140, n. 8, p. 1, doi. 10.1007/s00214-021-02806-0

By:

Tandon, Hiteshi;
Chakraborty, Tanmoy;
Suhag, Vandana

Publication type:

Article

An alternative approach to compute atomic hardness.

Published in:

Theoretical Chemistry Accounts: Theory, Computation, & Modeling, 2021, v. 140, n. 5, p. 1, doi. 10.1007/s00214-021-02768-3

By:

Yadav, Poonam;
Tandon, Hiteshi;
Malik, Babita;
Chakraborty, Tanmoy

Publication type:

Article

Evolution of the Phase and Hydrogen Storage Properties of New-Type VTiCrFeMn High-Entropy Alloy Prepared via Mechanical Alloying.

Published in:

Integrated Ferroelectrics, 2023, v. 235, n. 1, p. 17, doi. 10.1080/10584587.2023.2192666

By:

Wu, Shaopeng;
Li, Wenhao;
Liu, Xusheng;
Wang, Yankun;
Cai, Xiaolan;
Zhou, Lei

Publication type:

Article

Single and Ternary Removal of Heavy Metals from Aqueous Solution Using Fe3O4 Magnetic Nano-particles.

Published in:

Jordan Journal of Civil Engineering, 2023, v. 17, n. 2, p. 335, doi. 10.14525/JJCE.v17i2.13

By:

Al-Zboon, Kamel K.

Publication type:

Article

Ab initio-based bulk and surface thermodynamics of InGaN alloys: Investigating the effects of strain and surface polarity.

Published in:

Physica Status Solidi (B), 2015, v. 252, n. 5, p. 855, doi. 10.1002/pssb.201451687

By:

Duff, Andrew I.;
Lymperakis, Liverios;
Neugebauer, Jörg

Publication type:

Article

Ternary amalgams: expanding the structural variety of the Gd14Ag51 family.

Published in:

Zeitschrift für Kristallographie. Crystalline Materials, 2023, v. 238, n. 5/6, p. 187, doi. 10.1515/zkri-2023-0007

By:

Hohl, Timotheus;
Nusser, Lukas;
Wulfes, Jessica;
Hoch, Constantin

Publication type:

Article

Explaining the entropy forming ability for carbides with the effective atomic size mismatch.

Published in:

Scientific Reports, 2024, v. 14, n. 1, p. 1, doi. 10.1038/s41598-024-57456-6

By:

Kretschmer, Andreas;
Mayrhofer, Paul Heinz

Publication type:

Article

Three-dimensional solitons in Rydberg-dressed cold atomic gases with spin–orbit coupling.

Published in:

Scientific Reports, 2023, v. 13, n. 1, p. 1, doi. 10.1038/s41598-023-44745-9

By:

Zhao, Yuan;
Hu, Heng-Jie;
Zhou, Qian-Qian;
Qiu, Zhang-Cai;
Xue, Li;
Xu, Si-Liu;
Zhou, Qin;
Malomed, Boris A.

Publication type:

Article

Three-dimensional solitons in Rydberg-dressed cold atomic gases with spin–orbit coupling.

Published in:

Scientific Reports, 2023, v. 13, n. 1, p. 1, doi. 10.1038/s41598-023-44745-9

By:

Zhao, Yuan;
Hu, Heng-Jie;
Zhou, Qian-Qian;
Qiu, Zhang-Cai;
Xue, Li;
Xu, Si-Liu;
Zhou, Qin;
Malomed, Boris A.

Publication type:

Article

Collisional shifts of hyperfine resonances of ground-state atoms calculated with modified pseudopotential and orthogonalization.

Published in:

Applied Physics B: Lasers & Optics, 2024, v. 130, n. 5, p. 1, doi. 10.1007/s00340-024-08203-2

By:

Ishikawa, Kiyoshi

Publication type:

Article

Pb-rich Cu grain boundary sites for selective CO-to-n-propanol electroconversion.

Published in:

Nature Communications, 2023, v. 14, n. 1, p. 1, doi. 10.1038/s41467-023-40689-w

By:

Niu, Wenzhe;
Chen, Zheng;
Guo, Wen;
Mao, Wei;
Liu, Yi;
Guo, Yunna;
Chen, Jingzhao;
Huang, Rui;
Kang, Lin;
Ma, Yiwen;
Yan, Qisheng;
Ye, Jinyu;
Cui, Chunyu;
Zhang, Liqiang;
Wang, Peng;
Xu, Xin;
Zhang, Bo

Publication type:

Article

Tailoring MXene Thickness and Functionalization for Enhanced Room-Temperature Trace NO2 Sensing.

Published in:

Nano-Micro Letters, 2024, v. 16, n. 1, p. 1, doi. 10.1007/s40820-023-01316-x

By:

Hilal, Muhammad;
Yang, Woochul;
Hwang, Yongha;
Xie, Wanfeng

Publication type:

Article

Exploring properties of potassium 6-X-2-isonicotinoyltrifluoroborate (X=H, F, Cl, Br) salts and their anions by using ab initio calculations.

Published in:

Journal of Molecular Modeling, 2019, v. 25, n. 12, p. 1, doi. 10.1007/s00894-019-4234-x

By:

Iramain, Maximiliano A.;
Brandán, Silvia Antonia

Publication type:

Article

Redox Potential and Crystal Chemistry of Hexanuclear Cluster Compounds.

Published in:

Molecules, 2021, v. 26, n. 11, p. 3069, doi. 10.3390/molecules26113069

By:

Levi, Elena;
Aurbach, Doron;
Gatti, Carlo

Publication type:

Article

An Effective MM/GBSA Protocol for Absolute Binding Free Energy Calculations: A Case Study on SARS-CoV-2 Spike Protein and the Human ACE2 Receptor †.

Published in:

Molecules, 2021, v. 26, n. 8, p. 2383, doi. 10.3390/molecules26082383

By:

Forouzesh, Negin;
Mishra, Nikita

Publication type:

Article

Optimized Atomic Partial Charges and Radii Defined by Radical Voronoi Tessellation of Bulk Phase Simulations.

Published in:

Molecules, 2021, v. 26, n. 7, p. 1875, doi. 10.3390/molecules26071875

By:

Brehm, Martin;
Thomas, Martin;
Wetmore, Stacey

Publication type:

Article

Research on Molecular Structure and Electronic Properties of Ln 3+ (Ce 3+ , Tb 3+ , Pr 3+)/Li + and Eu 2+ Co-Doped Sr 2 Si 5 N 8 via DFT Calculation.

Published in:

Molecules, 2021, v. 26, n. 7, p. 1849, doi. 10.3390/molecules26071849

By:

Yin, Ziqian;
Li, Meijuan;
Zhang, Jianwen;
Shen, Qiang;
Köhler, Jürgen

Publication type:

Article

Theoretical Study of Zirconium Isomorphous Substitution into Zeolite Frameworks.

Published in:

Molecules, 2019, v. 24, n. 24, p. 4466, doi. 10.3390/molecules24244466

By:

Li, Duichun;
Xing, Bin;
Wang, Baojun;
Li, Ruifeng

Publication type:

Article

Unsupervised learning-aided extrapolation for accelerated design of superalloys.

Published in:

NPJ Computational Materials, 2024, v. 10, n. 1, p. 1, doi. 10.1038/s41524-024-01358-8

By:

Liao, Weijie;
Yuan, Ruihao;
Xue, Xiangyi;
Wang, Jun;
Li, Jinshan;
Lookman, Turab

Publication type:

Article

基于通用学习字典的机织物纹理表征.

Published in:

Cotton Textile Technology, 2021, v. 49, n. 591, p. 34

By:

占竹;
王凯;
李立轻;
汪军

Publication type:

Article

A Probabilistic Atomic Radius Definition: Application to Ground State Hydrogen-Like Atoms.

Published in:

Adiyaman University Journal of Science & Technology / Adıyaman Üniversitesi Fen Bilimleri Dergisi, 2020, v. 10, n. 2, p. 608, doi. 10.37094/adyujsci.742590

By:

AVCU, Fatih Mehmet;
ALAGÖZ, Serkan

Publication type:

Article

Coherent coupling between a quantum dot and a donor in silicon.

Published in:

Nature Communications, 2017, v. 8, n. 1, p. 1, doi. 10.1038/s41467-017-01113-2

By:

Harvey-Collard, Patrick;
Jacobson, N. Tobias;
Rudolph, Martin;
Dominguez, Jason;
Ten Eyck, Gregory A.;
Wendt, Joel R.;
Pluym, Tammy;
Gamble, John King;
Lilly, Michael P.;
Pioro-Ladrière, Michel;
Carroll, Malcolm S.

Publication type:

Article

Pb induced dislocation defects of PtCo systems: Strain-triggered oxygen reduction reaction for PEMFC.

Published in:

Nano Research, 2024, v. 17, n. 4, p. 2462, doi. 10.1007/s12274-023-6151-7

By:

Jin, Chun;
Wang, Qiheng;
Liu, Jingjun

Publication type:

Article

Modeling and mechanistic understanding of cytotoxicity of metal oxide nanoparticles (MeOxNPs) to Escherichia coli: categorization and data gap filling for untested metal oxides.

Published in:

Nanotoxicology, 2022, v. 16, n. 2, p. 152, doi. 10.1080/17435390.2022.2038299

By:

Roy, Joyita;
Roy, Kunal

Publication type:

Article

First Principles Investigation of the Effect of Vanadium Doping on Electronic Structure, Magnetic, and Optical Properties of Graphene–Boron Nitride Heterostructure.

Published in:

Advances in Condensed Matter Physics, 2025, v. 2025, p. 1, doi. 10.1155/acmp/4219055

By:

Shalisho, Berhanu Aymalo;
Shanko, Markos Meskele;
Hailemariam, Sintayehu Mekonnen;
Ramachandran, Tholkappiyan

Publication type:

Article

Cutting-based single atomic layer removal mechanism of monocrystalline copper: edge radius effect.

Published in:

Nanoscale Research Letters, 2019, v. 14, n. 1, p. N.PAG, doi. 10.1186/s11671-019-3195-4

By:

Xie, Wenkun;
Fang, Fengzhou

Publication type:

Article

Synthesis and Thermoelectric Properties of an Sn1 – xPbxSb4Te8 Solid Solution Doped with Bismuth.

Published in:

Semiconductors, 2022, v. 56, n. 3, p. 180, doi. 10.1134/S1063782622020075

By:

Gurbanov, G. R.;
Adygezalova, M. B.

Publication type:

Article

First-Principle Investigation of the (001) Surface Reconstructions of GaSb and InSb Semiconductors.

Published in:

Semiconductors, 2020, v. 54, n. 7, p. 742, doi. 10.1134/S1063782620070027

By:

Bakulin, A. V.;
Kulkova, S. E.

Publication type:

Article

Threshold behaviours in GexAs10Se90-x and GexSb10Se90-x glasses.

Published in:

Chalcogenide Letters, 2023, v. 20, n. 11, p. 829, doi. 10.15251/CL.2023.2011.829

By:

Xu, S. W.;
Liang, T. W.

Publication type:

Article

Study of some numerical characteristic parameters of Sb2S3-As2S3-Sb2Te3 vitreous compositions calculated from their chemical formula obtained by EDS experiments.

Published in:

Chalcogenide Letters, 2021, v. 18, n. 11, p. 681, doi. 10.15251/cl.2021.1811.681

By:

Dally, B. M.;
Kouame, N.;
Houphouët-Boigny, D.

Publication type:

Article

EVALUATION OF BULK MODULUS AND RING DIAMETER OF SOME TELLURITE GLASS SYSTEMS.

Published in:

Chalcogenide Letters, 2015, v. 12, n. 2, p. 67

By:

EL-MALLAWANY, R.;
GAAFAR, M. S.;
VEERAIAH, N.

Publication type:

Article

Evaluation and comparison of the mechanism of two bioactive materials in vital pulp therapy: a molecular dynamics simulation approach.

Published in:

Bulletin of Materials Science, 2024, v. 47, n. 1, p. 1, doi. 10.1007/s12034-023-03091-2

By:

Karrari, Seyedeh Zahra;
Afarideh, Hossein;
Kermanshah, Hamid;
Olivi, Luca

Publication type:

Article

Stability and Thermodynamics Properties of CrFeNiCoMn/Pd High Entropy Alloys from First Principles.

Published in:

Journal of Phase Equilibria & Diffusion, 2021, v. 42, n. 5, p. 606, doi. 10.1007/s11669-021-00900-1

By:

Tran, Nguyen-Dung;
Saengdeejing, Arkapol;
Suzuki, Ken;
Miura, Hideo;
Chen, Ying

Publication type:

Article

Deciphering the Origin of Higher Shell Coordination on Single Iron Catalysts for Resilient Modulating Persulfate Oxidation Into Singlet Oxygen Pathway.

Published in:

Advanced Functional Materials, 2025, v. 35, n. 12, p. 1, doi. 10.1002/adfm.202417441

By:

Zhang, Liang;
Cheng, Kai;
Yang, Zhizhi;
Zhang, Ye;
Kubuki, Shiro;
Bingham, Paul A.;
Yong, Yang‐Chun;
Zhang, Bofan;
Duan, Xiaoguang

Publication type:

Article

Induced Diffusion Effect Realizes Heterogeneous Separation/Aggregation for In Situ Fabrication of Heterostructure with Enhanced Catalytic Activity.

Published in:

Advanced Functional Materials, 2024, v. 34, n. 42, p. 1, doi. 10.1002/adfm.202405339

By:

Li, Hang;
Ding, Xinyu;
Su, Mengfei;
Zhang, Chunyan;
Gao, Feng;
Lu, Qingyi

Publication type:

Article

An Efficient Descriptor for Rapid Determination of Dipole Moments and Band Alignments of 2D Janus Transition‐Metal Dichalcogenides.

Published in:

Advanced Functional Materials, 2024, v. 34, n. 33, p. 1, doi. 10.1002/adfm.202401737

By:

Liu, Jia;
Shen, Tao;
Wang, Linghui;
Ren, Ji‐Chang;
Liu, Wei;
Li, Shuang

Publication type:

Article

Constructing High‐Content Sb Atomic Clusters and Robust Sb─O─C Bond in Sb/C Composites for Ultrahigh Rate and Long‐Term Sodium Storage.

Published in:

Advanced Functional Materials, 2024, v. 34, n. 33, p. 1, doi. 10.1002/adfm.202400302

By:

Xu, Anding;
Huang, Mianying;
Liu, Chenxi;
Li, Teng;
Li, Xue;
Wu, Songping;
Xu, Zhiguang;
Yan, Yurong

Publication type:

Article

Uptake and separation of Xe and Kr by a zeolitic imidazolate framework with a desirable pore window.

Published in:

Journal of Radioanalytical & Nuclear Chemistry, 2020, v. 324, n. 3, p. 1275, doi. 10.1007/s10967-020-07147-z

By:

Luo, Shihui;
Ma, Fuyin;
Wang, Xia;
Yuan, Mengjia;
Chen, Lanhua;
Qiu, Shoukang;
Tang, Quan;
Wang, Shuao

Publication type:

Article

Substituent Effect on the Acidity Strength of para-C6H4XB(OH)2 Boronic Acid: A Theoretical Investigation.

Published in:

Journal of Structural Chemistry, 2019, v. 60, n. 11, p. 1743, doi. 10.1134/S0022476619110064

By:

Fereidoni, S.;
Ghiasi, R.;
Pasdar, H.;
Mohtat, B.

Publication type:

Article

Структура, фазовий склад і механічні властивості високоентропійних твердих розчинів на основі системи MnFeCoNiCu відносно колективної поведінки їхніх складових елементів

Published in:

Metallophysics & Advanced Technologies / Metallofizika i Novejsie Tehnologii, 2022, v. 44, n. 12, p. 1711, doi. 10.15407/mfint.44.12.1711

By:

Косорукова, Т. О.;
Коваль, Ю. М.;
Односум, В. В.;
Філатова, В. С.;
Gerstein, G.;
Mayer, H. J.;
Фірстов, Г. С.

Publication type:

Article

A New Approach to Estimation of the Thermal Conductivity of Titanium Alloys.

Published in:

Crystallography Reports, 2020, v. 65, n. 6, p. 844, doi. 10.1134/S1063774520060176

By:

Kalienko, M. S.;
Zhelnina, A. V.;
Volkov, A. V.;
Leder, M. O.;
Tolstykh, N. A.;
Bocharov, A. I.

Publication type:

Article

Effect of Methylammonium Iodide (MACl) on MAPbI 3 -Based Perovskite UV-C Photodetectors.

Published in:

Applied Sciences (2076-3417), 2024, v. 14, n. 14, p. 6223, doi. 10.3390/app14146223

By:

Shin, Dong Jae;
Kim, Sangmo;
Choi, Hyung Wook

Publication type:

Article

sEMG-Based Continuous Estimation of Finger Kinematics via Large-Scale Temporal Convolutional Network.

Published in:

Applied Sciences (2076-3417), 2021, v. 11, n. 10, p. 4678, doi. 10.3390/app11104678

By:

Chen, Chao;
Guo, Weiyu;
Ma, Chenfei;
Yang, Yongkui;
Wang, Zheng;
Lin, Chuang;
Zanón, Bruno Baruque

Publication type:

Article

Multi-stage phase transformation pathways in MAX phases.

Published in:

Nature Communications, 2025, v. 16, n. 1, p. 1, doi. 10.1038/s41467-025-56921-8

By:

Zhao, Shuang;
Xiao, Hao;
Li, Yuxin;
Zhang, Zijun;
Wang, Yugang;
Huang, Qing;
Cao, Liuxuan;
Gao, Fei;
Tracy, Cameron L.;
Ewing, Rodney. C.;
Wang, Chenxu

Publication type:

Article

A roadmap from the bond strength to the grain-boundary energies and macro strength of metals.

Published in:

Nature Communications, 2025, v. 16, n. 1, p. 1, doi. 10.1038/s41467-025-55921-y

By:

Li, Xin;
Wu, Hao;
Gao, Wang;
Jiang, Qing

Publication type:

Article