Works matching DE "ELECTRON configuration"

Results: 1608

Progress and Challenges of Transition Metal–Based Compound Electrocatalysts for Oxygen Evolution Reaction in Alkaline Media.

Published in:

ChemNanoMat, 2025, v. 11, n. 5, p. 1, doi. 10.1002/cnma.202500091

By:

Liu, Ruochen;
Xu, Haowen;
Zhao, Jinxiu;
Tian, Kaixin;
Hou, Linrui;
Yuan, Changzhou

Publication type:

Article

UV–Vis Detection of Thioacetamide: Balancing the Performances of a Mn(III)-Porphyrin, Gold Colloid, and Their Complex for Selecting the Most Sensitive Material.

Published in:

Micromachines, 2025, v. 16, n. 5, p. 574, doi. 10.3390/mi16050574

By:

Epuran, Camelia;
Fratilescu, Ion;
Fringu, Ionela;
Lascu, Anca;
Halip, Liliana;
Gherban, Mihaela;
Fagadar-Cosma, Eugenia

Publication type:

Article

Exploring Entanglement Spectra and Phase Diagrams in Multi-Electron Quantum Dot Chains.

Published in:

Entropy, 2025, v. 27, n. 5, p. 479, doi. 10.3390/e27050479

By:

He, Guanjie;
Wang, Xin

Publication type:

Article

Manipulating d‐band Center by Interface‐Induced Dislocation in Pt@PtCu Nanowires Boosting Oxygen Reduction.

Published in:

Advanced Functional Materials, 2025, v. 35, n. 22, p. 1, doi. 10.1002/adfm.202422533

By:

Luo, Juan;
Zhang, Shaohui;
Liu, Feng;
Cui, Hao;
Liu, Xuanzhi;
Liao, Hanxiao;
Gu, Yuke;
Liu, Meihuan;
Tan, Pengfei;
Pan, Jun

Publication type:

Article

Selective Ions Exchange Reactions Endow Defective Heterovalent Copper‐Based Selenides With Enhanced Dielectric Polarization Response.

Published in:

Advanced Functional Materials, 2025, v. 35, n. 22, p. 1, doi. 10.1002/adfm.202420239

By:

Liu, Jiaolong;
Liu, Zhuolin;
Ren, Junkai;
bian, Hui;
Zhou, Xuejiao;
Yin, Moxuan;
Li, Sichen;
Zhang, Peijun;
Qu, Dan;
Wei, Bing;
Wu, Hongjing

Publication type:

Article

Delicate Competition Between Different Excitonic Orderings in Ta 2 NiSe 5.

Published in:

Crystals (2073-4352), 2025, v. 15, n. 5, p. 414, doi. 10.3390/cryst15050414

By:

Chatterjee, Banhi;
Golež, Denis;
Mravlje, Jernej

Publication type:

Article

Interfacial Adsorption Mechanisms of Arginine, Glutamic Acid, Aspartic Acid, and Valine on Magnesium and Magnesium Alloy Surfaces: A First-Principles Investigation.

Published in:

Coatings (2079-6412), 2025, v. 15, n. 5, p. 586, doi. 10.3390/coatings15050586

By:

Fang, Zhe;
Xu, Shuaiwei;
Cao, Rui;
Jiao, Mingli;
Liu, Keyi;
Diao, Quan;
Guan, Shaokang;
Jia, Yu

Publication type:

Article

ELECTRON CORRELATION EFFECTS AND DIPOLAR/OCTUPOLAR CONTRIBUTION ON THE FIRST HYPERPOLARIZABILITY OF PUSH-PULL OLIGOMER SYSTEMS.

Published in:

Revista Cubana de Física, 2021, v. 38, n. 2, p. 94

By:

LABIDI, N. S.

Publication type:

Article

Structure–Property Relationship and Electronic Structure Calculation of Cubic YSZ Solid Electrolyte for Electrochemical Applications.

Published in:

Journal of Electronic Materials, 2025, v. 54, n. 3, p. 1949, doi. 10.1007/s11664-024-11705-6

By:

Dhingra, Anuja;
Thakur, O. P.;
Pandey, Raghvendra

Publication type:

Article

Template‐assisted Fabrication of O‐doped CoP Microflowers with Optimal Electronic Modulation for Electrochemical Hydrogen Evolution.

Published in:

Chemistry - A European Journal, 2023, v. 29, n. 41, p. 1, doi. 10.1002/chem.202301252

By:

Zhang, Shoulin;
Zhou, Xue;
Zhou, Guangyao;
He, Bin;
Pang, Huan;
Xu, Lin;
Tang, Yawen

Publication type:

Article

London Dispersion Effects on the Stability of Heavy Tetrel Molecules.

Published in:

Chemistry - A European Journal, 2023, v. 29, n. 41, p. 1, doi. 10.1002/chem.202301247

By:

Mears, Kristian L.;
Power, Philip P.

Publication type:

Article

Frontispiece: Controlled Modification of Axial Coordination for Transition‐Metal Single‐Atom Electrocatalyst.

Published in:

Chemistry - A European Journal, 2022, v. 28, n. 59, p. 1, doi. 10.1002/chem.202285962

By:

Liu, Xiangjian;
Liu, Yarong;
Yang, Wenxiu;
Feng, Xiao;
Wang, Bo

Publication type:

Article

Controlled Modification of Axial Coordination for Transition‐Metal Single‐Atom Electrocatalyst.

Published in:

Chemistry - A European Journal, 2022, v. 28, n. 59, p. 1, doi. 10.1002/chem.202201471

By:

Liu, Xiangjian;
Liu, Yarong;
Yang, Wenxiu;
Feng, Xiao;
Wang, Bo

Publication type:

Article

Ag Doped Au44 Nanoclusters for Electrocatalytic Conversion of CO2 to CO.

Published in:

Chemistry - A European Journal, 2022, v. 28, n. 46, p. 1, doi. 10.1002/chem.202201262

By:

Tang, Shisi;
Xu, Jiayu;
Liu, Xu;
Zhu, Yan

Publication type:

Article

Ultra‐Long Lived Luminescent Triplet Excited States in Cyclic (Alkyl)(amino)carbene Complexes of Zn(II) Halides.

Published in:

Chemistry - A European Journal, 2022, v. 28, n. 45, p. 1, doi. 10.1002/chem.202201114

By:

Mrózek, Ondřej;
Gernert, Markus;
Belyaev, Andrey;
Mitra, Mousree;
Janiak, Lars;
Marian, Christel M.;
Steffen, Andreas

Publication type:

Article

A New Look at Molecular and Electronic Structure of Homoleptic Diiron(II,II) Complexes with N,N‐Bidentate Ligands: Combined Experimental and Theoretical Study.

Published in:

Chemistry - A European Journal, 2022, v. 28, n. 40, p. 1, doi. 10.1002/chem.202200620

By:

Korona, Krzesimir;
Terlecki, Michał;
Justyniak, Iwona;
Magott, Michał;
Żukrowski, Jan;
Kornowicz, Arkadiusz;
Pinkowicz, Dawid;
Kubas, Adam;
Lewiński, Janusz

Publication type:

Article

Relativistic Spin–Orbit Electronegativity and the Chemical Bond Between a Heavy Atom and a Light Atom.

Published in:

Chemistry - A European Journal, 2022, v. 28, n. 24, p. 1, doi. 10.1002/chem.202200277

By:

Cuyacot, Ben Joseph R.;
Novotný, Jan;
Berger, Raphael J. F.;
Komorovsky, Stanislav;
Marek, Radek

Publication type:

Article

The Spin Modulation Stimulated Efficient Electrocatalytic Oxygen Evolution Reaction over LaCoO3 Perovskite.

Published in:

Chemistry - A European Journal, 2022, v. 28, n. 14, p. 1, doi. 10.1002/chem.202104157

By:

Zhou, Fangping;
Zhao, Zhao;
Xu, Ming;
Wang, Ting;
Yang, Huiru;
Wang, Rong;
Wang, Jiahui;
Li, Haibo;
Feng, Ming

Publication type:

Article

d‐Orbital Reconstructions Forced by Double Bow‐Shaped Deformations and Second Coordination Sphere Effects of Cu(II) Heme Analogs in HER**.

Published in:

Chemistry - A European Journal, 2022, v. 28, n. 8, p. 1, doi. 10.1002/chem.202103892

By:

Liu, Qiuhua;
Ren, Wanjie;
Zhang, Siwei;
Huang, Yang;
Chen, Dilong;
Zeng, Wennan;
Zhou, Zaichun;
He, Lin;
Guo, Wenping;
Li, Jianfeng

Publication type:

Article

Hierarchical Modulation of Optical Anisotropy Driven by Metal Cation Polyhedra in Fluorooxoborates MIIB4O6F2 (MII=Be, Mg, Pb, Zn, Cd).

Published in:

Chemistry - A European Journal, 2022, v. 28, n. 8, p. 1, doi. 10.1002/chem.202103401

By:

Shu, Shan;
Huang, Junben;
Hu, Chenhui;
Pan, Shilie;
Yang, Zhihua

Publication type:

Article

Developing Efficient Small Molecule Acceptors with sp2‐Hybridized Nitrogen at Different Positions by Density Functional Theory Calculations, Molecular Dynamics Simulations and Machine Learning.

Published in:

Chemistry - A European Journal, 2022, v. 28, n. 2, p. 1, doi. 10.1002/chem.202103712

By:

Mahmood, Asif;
Irfan, Ahmad;
Wang, Jin‐Liang

Publication type:

Article

Singlet Biradical Versus Triplet Biradical/Zwitterion Characteristics in Isomers of C6−C5−C6−C7−C6‐Fused Pentacyclic Aromatic Hydrocarbons Revealed through Reactivity Patterns

Published in:

Chemistry - A European Journal, 2021, v. 27, n. 67, p. 16682, doi. 10.1002/chem.202102781

By:

Zhen, Cian‐Jhe;
Lu, Shu‐Feng;
Lin, Min‐Hwa;
Wu, Jay‐Tai;
Chao, Ito;
Lin, Chih‐Hsiu

Publication type:

Article

High‐Spin Iron(VI), Low‐Spin Ruthenium(VI), and Magnetically Bistable Osmium(VI) in Molecular Group 8 Nitrido Trifluorides NMF3.

Published in:

Chemistry - A European Journal, 2021, v. 27, n. 45, p. 11693, doi. 10.1002/chem.202101404

By:

Stüker, Tony;
Xia, Xiya;
Beckers, Helmut;
Riedel, Sebastian

Publication type:

Article

Generation and Identification of the Linear OCBNO and OBNCO Molecules with 24 Valence Electrons.

Published in:

Chemistry - A European Journal, 2021, v. 27, n. 1, p. 412, doi. 10.1002/chem.202003886

By:

Deng, Guohai;
Pan, Sudip;
Jin, Jiaye;
Wang, Guanjun;
Zhao, Lili;
Zhou, Mingfei;
Frenking, Gernot

Publication type:

Article

Chemical Bonding in Colossal Thermopower FeSb2.

Published in:

Chemistry - A European Journal, 2020, v. 26, n. 39, p. 8651, doi. 10.1002/chem.202001643

By:

Grønbech, Thomas Bjørn Egede;
Tolborg, Kasper;
Svendsen, Helle;
Overgaard, Jacob;
Chen, Yu‐Sheng;
Brummerstedt Iversen, Bo

Publication type:

Article

Spin Crossover and Long‐Lived Excited States in a Reduced Molecular Ruby.

Published in:

Chemistry - A European Journal, 2020, v. 26, n. 32, p. 7199, doi. 10.1002/chem.202001237

By:

Becker, Patrick M.;
Förster, Christoph;
Carrella, Luca M.;
Boden, Pit;
Hunger, David;
Slageren, Joris;
Gerhards, Markus;
Rentschler, Eva;
Heinze, Katja

Publication type:

Article

Which Stereoinductor Is Better for Asymmetric Functionalization of α‐Amino Acids in a Nickel(II) Coordination Environment? Experimental and DFT Considerations.

Published in:

Chemistry - A European Journal, 2020, v. 26, n. 31, p. 7074, doi. 10.1002/chem.201905708

By:

Levitskiy, Oleg A.;
Aglamazova, Olga I.;
Soloshonok, Vadim A.;
Moriwaki, Hiroki;
Magdesieva, Tatiana V.

Publication type:

Article

Mechanistic Insight into Energy‐Transfer Dynamics and Color Tunability of Na4CaSi3O9:Tb3+,Eu3+ for Warm White LEDs.

Published in:

Chemistry - A European Journal, 2020, v. 26, n. 25, p. 5619, doi. 10.1002/chem.201905607

By:

He, Jin;
Yan, Cheng;
Huang, Minmin;
Shi, Rui;
Chen, Yibo;
Ling, Chris D.;
Liu, Zhao‐Qing

Publication type:

Article

On the Aqueous Chemistry of the UIV–DOTA Complex.

Published in:

Chemistry - A European Journal, 2020, v. 26, n. 15, p. 3390, doi. 10.1002/chem.201905357

By:

Dovrat, Gev;
Illy, Marie‐Claire;
Berthon, Claude;
Lerner, Ana;
Mintz, Moshe H.;
Maimon, Eric;
Vainer, Radion;
Ben‐Eliyahu, Yeshayahu;
Moiseev, Yulia;
Moisy, Philippe;
Bettelheim, Armand;
Zilbermann, Israel

Publication type:

Article

The Interplay Between Conformation and Absolute Configuration in Chiral Electron Dynamics of Small Diols.

Published in:

Angewandte Chemie, 2016, v. 128, n. 37, p. 11220, doi. 10.1002/ange.201603771

By:

Daly, Steven;
Tia, Maurice;
Garcia, Gustavo A.;
Nahon, Laurent;
Powis, Ivan

Publication type:

Article

Synthesis and Reactivity of a Neutral, Three-Coordinate Platinum(II) Complex Featuring Terminal Amido Ligation.

Published in:

Angewandte Chemie, 2015, v. 127, n. 48, p. 14706, doi. 10.1002/ange.201506871

By:

Kelly, Colin M.;
Kwon, Doo ‐ Hyun;
Ferguson, Michael J.;
Bischof, Steven M.;
Sydora, Orson L.;
Ess, Daniel H.;
Stradiotto, Mark;
Turculet, Laura

Publication type:

Article

Formation and Characterization of the Boron Dicarbonyl Complex [B(CO)2]−.

Published in:

Angewandte Chemie, 2015, v. 127, n. 38, p. 11230, doi. 10.1002/ange.201503686

By:

Zhang, Qingnan;
Li, Wan ‐ Lu;
Xu, Cong ‐ Qiao;
Chen, Mohua;
Zhou, Mingfei;
Li, Jun;
Andrada, Diego M.;
Frenking, Gernot

Publication type:

Article

Na4IrO4: Square-Planar Coordination of a Transition Metal in d5 Configuration due to Weak On-Site Coulomb Interactions.

Published in:

Angewandte Chemie, 2015, v. 127, n. 18, p. 5507, doi. 10.1002/ange.201411959

By:

Kanungo, Sudipta;
Yan, Binghai;
Merz, Patrick;
Felser, Claudia;
Jansen, Martin

Publication type:

Article

Photomagnetic Response in Highly Conductive Iron(II) Spin-Crossover Complexes with TCNQ Radicals.

Published in:

Angewandte Chemie, 2015, v. 127, n. 3, p. 837, doi. 10.1002/ange.201408680

By:

Phan, Hoa;
Benjamin, Shermane M.;
Steven, Eden;
Brooks, James S.;
Shatruk, Michael

Publication type:

Article

Polymeric Schiff Bases as Low-Voltage Redox Centers for Sodium-Ion Batteries.

Published in:

Angewandte Chemie, 2014, v. 126, n. 21, p. 5445, doi. 10.1002/ange.201402402

By:

Castillo ‐ Martínez, Elizabeth;
Carretero ‐ González, Javier;
Armand, Michel

Publication type:

Article

Tuning of electronic properties of edge oxidized armchair graphene nanoribbon by the variation of oxygen amounts and positions.

Published in:

Journal of Materials Science: Materials in Electronics, 2017, v. 28, n. 12, p. 9039, doi. 10.1007/s10854-017-6636-9

By:

Maity, I.;
Ghosh, K.;
Rahaman, H.;
Bhattacharyya, P.

Publication type:

Article

Ab-initio study on the covalent nature of hydrogen bonding in cellobiose.

Published in:

Cellulose, 2023, v. 30, n. 2, p. 689, doi. 10.1007/s10570-022-04939-2

By:

Mittal, Sumit;
Prasad, Saurav;
Payal, Rajdeep Singh;
Ravi, Satyam

Publication type:

Article

Growth of Gray Tin Crystals.

Published in:

Inorganic Materials, 2003, v. 39, n. 7, p. 683, doi. 10.1023/A:1024527523260

By:

Styrkas, A. D.

Publication type:

Article

Optical detection of magnetic resonance.

Published in:

Magnetic Resonance, 2020, v. 1, n. 1, p. 115, doi. 10.5194/mr-1-115-2020

By:

Suter, Dieter

Publication type:

Article

Cadmium induced potassium efflux from Scenedesmus quadricauda.

Published in:

Bulletin of Environmental Contamination & Toxicology, 1992, v. 49, n. 4, p. 600, doi. 10.1007/BF00196305

By:

Reddy, Gavva;
Prasad, M.

Publication type:

Article

Ni‐Fe‐Cu‐layered double hydroxides as high‐performance electrocatalysts for alkaline water oxidation.

Published in:

International Journal of Energy Research, 2021, v. 45, n. 10, p. 15312, doi. 10.1002/er.6805

By:

Enhtuwshin, Enhbayar;
Mhin, Sungwook;
Kim, Kang Min;
Ryu, Jeong Ho;
Kim, So Jung;
Jung, Sun Young;
Kang, Sukhyun;
Choi, Seunggun;
Han, HyukSu

Publication type:

Article

Quantum Solid Phase and Coulomb Drag in 2D Electron–Electron Bilayers of MoS2.

Published in:

Advanced Electronic Materials, 2023, v. 9, n. 3, p. 1, doi. 10.1002/aelm.202201105

By:

Huang, Meizhen;
Wu, Zefei;
Wang, Ning;
Chui, Siu‐Tat

Publication type:

Article

Beyond the 2D Field‐Effect Charge Transport Paradigm in Molecular Thin‐Film Transistors.

Published in:

Advanced Electronic Materials, 2023, v. 9, n. 1, p. 1, doi. 10.1002/aelm.202200547

By:

Benvenuti, Emilia;
Portale, Giuseppe;
Brucale, Marco;
Quiroga, Santiago D.;
Baldoni, Matteo;
MacKenzie, Roderick C. I.;
Mercuri, Francesco;
Canola, Sofia;
Negri, Fabrizia;
Lago, Nicolò;
Buonomo, Marco;
Pollesel, Andrea;
Cester, Andrea;
Zambianchi, Massimo;
Melucci, Manuela;
Muccini, Michele;
Toffanin, Stefano

Publication type:

Article

Toward Functionalized Ultrathin Oxide Films: The Impact of Surface Apical Oxygen.

Published in:

Advanced Electronic Materials, 2022, v. 8, n. 4, p. 1, doi. 10.1002/aelm.202101006

By:

Gabel, Judith;
Pickem, Matthias;
Scheiderer, Philipp;
Dudy, Lenart;
Leikert, Berengar;
Fuchs, Marius;
Stübinger, Martin;
Schmitt, Matthias;
Küspert, Julia;
Sangiovanni, Giorgio;
Tomczak, Jan M.;
Held, Karsten;
Lee, Tien‐Lin;
Claessen, Ralph;
Sing, Michael

Publication type:

Article

Charge‐Transfer‐Induced Multivalent States with Resultant Emergent Magnetism in Transition‐Metal Oxide Heterostructures.

Published in:

Advanced Electronic Materials, 2021, v. 7, n. 1, p. 1, doi. 10.1002/aelm.202000803

By:

Niu, Wei;
Fang, Yue‐Wen;
Zhang, Xiaoqian;
Weng, Yakui;
Chen, Yongda;
Zhang, Hui;
Gan, Yulin;
Yuan, Xiao;
Zhang, Shengjie;
Sun, Jiabao;
Wang, Yile;
Wei, Lujun;
Xu, Yongbing;
Wang, Xuefeng;
Liu, Wenqing;
Pu, Yong

Publication type:

Article

Facet‐Dependent Phase Control by Band Filling and Anisotropic Electron–Lattice Coupling in HVO2 Epitaxial Films.

Published in:

Advanced Electronic Materials, 2018, v. 4, n. 8, p. 1, doi. 10.1002/aelm.201800128

By:

Yoon, Hyojin;
Park, Jaeseoung;
Choi, Si‐Young;
Lee, Donghwa;
Son, Junwoo

Publication type:

Article

Configuration Interaction Effects in Unresolved 5p65dN+1-5p55dN+2+5p65dN5f¹ Transition Arrays in Ions Z = 79-92.

Published in:

Atoms (2218-2004), 2017, v. 5, n. 2, p. 20, doi. 10.3390/atoms5020020

By:

Luning Liu;
Kilbane, Deirdre;
Dunne, Padraig;
Xinbing Wang;
O'Sullivan, Gerry

Publication type:

Article

Calculation of Rates of 4p-4d Transitions in Ar II.

Published in:

Atoms (2218-2004), 2017, v. 5, n. 1, p. 8, doi. 10.3390/atoms5010008

By:

Hibbert, Alan

Publication type:

Article

Combining Multiconfiguration and Perturbation Methods: Perturbative Estimates of Core-Core Electron Correlation Contributions to Excitation Energies in Mg-Like Iron.

Published in:

Atoms (2218-2004), 2017, v. 5, n. 1, p. 3, doi. 10.3390/atoms5010003

By:

Gustafsson, Stefan;
Jönsson, Per;
Fischer, Charlotte Froese;
Grant, Ian

Publication type:

Article

Rare Earth Ion Doped Luminescent Materials: A Review of Up/Down Conversion Luminescent Mechanism, Synthesis, and Anti-Counterfeiting Application.

Published in:

Photonics, 2023, v. 10, n. 9, p. 1014, doi. 10.3390/photonics10091014

By:

Chen, Ziyu;
Zhu, Hang;
Qian, Jiajie;
Li, Zhenxiong;
Hu, Xiameng;
Guo, Yuao;
Fu, Yuting;
Zhu, Huazhong;
Nai, Wei;
Yang, Zan;
Li, Dan;
Zhou, Liling

Publication type:

Article