Works matching DE "LIGAND field theory"

Results: 170

Ligand Field Parameters of Samarium Activated Alumino-Borate Based Glasses.

Published in:

Journal of Applied Spectroscopy, 2023, v. 90, n. 5, p. 1107, doi. 10.1007/s10812-023-01640-5

By:

Muhammad, S. B.;
Abdullahi, I.;
Muhammad, H. I.;
Usman, Y.

Publication type:

Article

Chemically and Light-Driven Coordination-Induced Spin State Switching (CISSS) of a nonheme-iron complex.

Published in:

Zeitschrift für Naturforschung B: A Journal of Chemical Sciences, 2022, v. 77, n. 4/5, p. 299, doi. 10.1515/znb-2022-0011

By:

Fischer, Kim;
Krahmer, Jan;
Tuczek, Felix

Publication type:

Article

Crystallisation of phosphates revisited: a multi-step formation process for SrHPO4.

Published in:

Zeitschrift für Naturforschung B: A Journal of Chemical Sciences, 2022, v. 77, n. 4/5, p. 263, doi. 10.1515/znb-2021-0182

By:

Ruiz Arana, Laura;
Ströh, Jonas;
Amtsfeld, Jasper;
Doungmo, Giscard;
Novikov, Dmitri;
Khadiev, Azat;
Etter, Martin;
Wharmby, Michael;
Suta, Markus;
Terraschke, Huayna

Publication type:

Article

Investigations on the EPR Parameters of KMgF3:Cr+.

Published in:

Acta Physica Polonica: A, 2014, v. 125, n. 5, p. 1224, doi. 10.12693/APhysPolA.125.1224

By:

KUANG, M. Q.;
WU, S. Y.;
HU, X. F.;
LI, G. L.;
ZU, H. Y.

Publication type:

Article

Implications of Invalid Conversions between Crystal-Field Parameters and Zero-Field Splitting Ones Used in Superposition Model.

Published in:

Acta Physica Polonica: A, 2014, v. 125, n. 5, p. 1215, doi. 10.12693/APhysPolA.125.1215

By:

RUDOWICZ, C.;
KARBOWIAK, M.

Publication type:

Article

Recent Advances in d‐f Transition Lanthanide Complexes for Organic Light‐Emitting Diodes: Insights Into Structure–Luminescence Relationships.

Published in:

Laser & Photonics Reviews, 2025, v. 19, n. 13, p. 1, doi. 10.1002/lpor.202402198

By:

Li, Jie;
Zhao, Yanbo;
Yu, Donghong;
Zhan, Chuanlang

Publication type:

Article

Enhanced 2.7 μm Emission from Er3+/Tm3+/Pr3+ Triply Doped Fluoride Glass.

Published in:

Journal of the American Ceramic Society, 2011, v. 94, n. 8, p. 2289, doi. 10.1111/j.1551-2916.2011.04645.x

By:

Ying Tian;
Rongrong Xu;
Lili Hu;
Junjie Zhang

Publication type:

Article

CO2 Reduction at a Borane‐Modified Iron Complex: A Secondary Coordination Sphere Strategy.

Published in:

Angewandte Chemie, 2025, v. 137, n. 9, p. 1, doi. 10.1002/ange.202421599

By:

Durfy, Connor S.;
Zurakowski, Joseph A.;
Drover, Marcus W.

Publication type:

Article

High Spin‐State Modulation of Catalytic Centers by Weak Ligand Field for Promoting Sulfur Redox Reaction in Lithium‐Sulfur Batteries.

Published in:

Angewandte Chemie, 2025, v. 137, n. 4, p. 1, doi. 10.1002/ange.202416176

By:

Li, Qing;
Ma, Zhipeng;
Liu, Ming;
Jiang, Yajie;
Fu, Minhao;
Fan, Yuqian;
Qin, Xiujuan;
Song, Ailing;
Shao, Guangjie;
Xu, Yuxi

Publication type:

Article

Gold-vanadium-niobium catalysts in environmental protection—adsorption and interaction of NO, C3H6 and O2—FT-IR study.

Published in:

Adsorption, 2009, v. 15, n. 2, p. 145, doi. 10.1007/s10450-009-9163-z

By:

Izabela Sobczak;
Maria Ziolek;
Natalia Kieronczyk

Publication type:

Article

In vitro evaluation of concentration, labeling effectiveness and stability for 131I-labeled radioimmunoassay ligand using real-time detection technology.

Published in:

Journal of Labelled Compounds & Radiopharmaceuticals, 2017, v. 60, n. 1, p. 80, doi. 10.1002/jlcr.3478

By:

Barta, Pavel;
Janousek, Jiri;
Zilkova, Katerina;
Trejtnar, Frantisek

Publication type:

Article

Bridging Between Japan-Originated Inorganic Chemistry Theories and the Latest DFT Calculations.

Published in:

2025

By:

Akitsu, Takashiro

Publication type:

Editorial

Human Tyrosinase Displayed on the Surface of Chinese Hamster Ovary Cells for Ligand Fishing of Tyrosinase Inhibitors from Medicinal Plants.

Published in:

Molecules, 2025, v. 30, n. 1, p. 30, doi. 10.3390/molecules30010030

By:

Zhai, Xiao-Rui;
Li, Ming-Jie;
Yin, Xiang;
Ablat, Ayzohra;
Wang, Yuan;
Shu, Peng;
Liao, Xun

Publication type:

Article

Halogen-Dependent Diversity and Weak Interactions in the Heterometallic Ni/Cd Complex Solids: Structural and Theoretical Investigation.

Published in:

Molecules, 2023, v. 28, n. 22, p. 7652, doi. 10.3390/molecules28227652

By:

Nesterova, Oksana V.;
Petrusenko, Svitlana R.;
Skelton, Brian W.;
Nesterov, Dmytro S.

Publication type:

Article

Fundamentals of Rhenium-188 Radiopharmaceutical Chemistry.

Published in:

Molecules, 2023, v. 28, n. 3, p. 1487, doi. 10.3390/molecules28031487

By:

Kleynhans, Janke;
Duatti, Adriano;
Bolzati, Cristina

Publication type:

Article

Inorganic geochemistry of El’gygytgyn Lake sediments (northeastern Russia) as an indicator of paleoclimatic change for the last 250 kyr.

Published in:

Journal of Paleolimnology, 2007, v. 37, n. 1, p. 123, doi. 10.1007/s10933-006-9027-4

By:

Minyuk, P. S.;
Brigham-Grette, J.;
Melles, M.;
Borkhodoev, V. Ya.;
Glushkova, O. Yu.

Publication type:

Article

Slow-Relaxation Behavior of a Mononuclear Co(II) Complex Featuring Long Axial Co-O Bond.

Published in:

Nanomaterials (2079-4991), 2022, v. 12, n. 4, p. 707, doi. 10.3390/nano12040707

By:

Xia, Zhengyao;
Li, Yan;
Ji, Cheng;
Jiang, Yucheng;
Ma, Chunlan;
Gao, Ju;
Zhang, Jinlei

Publication type:

Article

Investigating the Suitability of Various Silver(I) Complexes for Use in a Cyanide-Free Silver Electrolyte.

Published in:

Coatings (2079-6412), 2024, v. 14, n. 5, p. 618, doi. 10.3390/coatings14050618

By:

Baumer, Christoph;
Schmidt, Udo;
Bund, Andreas

Publication type:

Article

Investigations on the superhyperfine parameters for Cr3+ in the fluorides.

Published in:

Hyperfine Interactions, 2006, v. 174, n. 1-3, p. 103, doi. 10.1007/s10751-007-9516-5

By:

Yao, J. S.;
Wu, S. Y.;
Gao, X. Y.;
Zhang, H. M.

Publication type:

Article

Two-dimensional Kβ-Kα fluorescence spectrum by nonlinear resonant inelastic X-ray scattering.

Published in:

Nature Communications, 2023, v. 14, n. 1, p. 1, doi. 10.1038/s41467-023-39967-4

By:

Tamasaku, Kenji;
Taguchi, Munetaka;
Inoue, Ichiro;
Osaka, Taito;
Inubushi, Yuichi;
Yabashi, Makina;
Ishikawa, Tetsuya

Publication type:

Article

Two-dimensional Kβ-Kα fluorescence spectrum by nonlinear resonant inelastic X-ray scattering.

Published in:

Nature Communications, 2023, v. 14, n. 1, p. 1, doi. 10.1038/s41467-023-39967-4

By:

Tamasaku, Kenji;
Taguchi, Munetaka;
Inoue, Ichiro;
Osaka, Taito;
Inubushi, Yuichi;
Yabashi, Makina;
Ishikawa, Tetsuya

Publication type:

Article

Direct determination of high-order transverse ligand field parameters via µSQUID-EPR in a Et4N[160GdPc2] SMM.

Published in:

Nature Communications, 2023, v. 14, n. 1, p. 1, doi. 10.1038/s41467-023-39003-5

By:

Taran, Gheorghe;
Moreno-Pineda, Eufemio;
Schulze, Michael;
Bonet, Edgar;
Ruben, Mario;
Wernsdorfer, Wolfgang

Publication type:

Article

Calculation of vibronic coupling constants for tetrahedral and octahedral d electron systems via dynamic ligand field theory and application to optical spectra.

Published in:

Molecular Physics, 1998, v. 95, n. 1, p. 51, doi. 10.1080/002689798167377

By:

Wissing, K.;
Degen, J.

Publication type:

Article

Kohn–Sham DFT and ligand-field theory — Is there a synergy?

Published in:

Canadian Journal of Chemistry, 2009, v. 87, n. 10, p. 1302, doi. 10.1139/V09-061

By:

Schäffer, Claus E.;
Bendix, Jesper

Publication type:

Article

Synthesis and coordination chemistry of 2,2′-diboratabiphenyls.

Published in:

Canadian Journal of Chemistry, 2006, v. 84, n. 2, p. 81, doi. 10.1139/V05-220

By:

Ghesner, Ioan;
Piers, Warren E.;
Parvez, Masood;
McDonald, Robert

Publication type:

Article

Metal-insulator transitions: Orbital control.

Published in:

Nature Physics, 2013, v. 9, n. 10, p. 612, doi. 10.1038/nphys2769

By:

Mizokawa, Takashi

Publication type:

Article

Theoretical study of the electron paramagnetic resonance parameters and local structure for the tetragonal Ir2+ centre in NaCl.

Published in:

Pramana: Journal of Physics, 2010, v. 74, n. 4, p. 643, doi. 10.1007/s12043-010-0056-1

By:

Hu, Y.-X.;
Wu, S.-Y.;
Wang, X.-F.;
Xu, P.

Publication type:

Article

Conformation‐Driven Nickel Redox States and Magnetism in 2D Metal–organic Frameworks.

Published in:

Advanced Functional Materials, 2025, v. 35, n. 13, p. 1, doi. 10.1002/adfm.202418186

By:

Grisan Qiu, Yan Yan;
Brandstetter, Dominik;
Mearini, Simone;
Baranowski, Daniel;
Cojocariu, Iulia;
Jugovac, Matteo;
Zamborlini, Giovanni;
Gargiani, Pierluigi;
Valvidares, Manuel;
Windischbacher, Andreas;
Puschnig, Peter;
Feyer, Vitaliy;
Schneider, Claus Michael

Publication type:

Article

Regulation of the Built‐In Electric Fields of MIL‐125(Ti)@Ti‐Ce‐MOF Yolk‐Shell Z‐Scheme Heterojunctions via Ligand Defects Toward Optimized Photocatalytic Performances.

Published in:

Advanced Functional Materials, 2025, v. 35, n. 10, p. 1, doi. 10.1002/adfm.202416556

By:

Hu, Tingting;
Feng, Panpan;
Chu, Hongqi;
Wang, Xuepeng;
Liu, Fusheng;
Zhou, Wei

Publication type:

Article

Engineering Spin State in Spinel Co3O4 nanosheets by V‐Doping for Bidirectional Catalysis of Polysulfides in Lithium–Sulfur Batteries.

Published in:

Advanced Functional Materials, 2024, v. 34, n. 37, p. 1, doi. 10.1002/adfm.202402114

By:

Zhou, Wei;
Chen, Minzhe;
Zhao, Dengke;
Zhu, Chuheng;
Wang, Nan;
Lei, Wen;
Guo, Yan;
Li, Ligui

Publication type:

Article

Competition between Bailar and Ray-Dutt paths in conformational interconversion of tris-chelated complexes: a DFT study.

Published in:

Theoretical Chemistry Accounts: Theory, Computation, & Modeling, 2008, v. 120, n. 4-6, p. 447, doi. 10.1007/s00214-008-0421-z

By:

Amati, Mario;
Lelj, Francesco

Publication type:

Article

Transition metal impurities in wide gap materials: are the electronic properties well described through the ligand field theory?

Published in:

Theoretical Chemistry Accounts: Theory, Computation, & Modeling, 2007, v. 118, n. 3, p. 665, doi. 10.1007/s00214-007-0355-x

By:

Moreno, M.;
García-Lastra, J. M.;
Barriuso, M. T.;
Aramburu, J. A.

Publication type:

Article

Machine learning force field study of carboxylate ligands on the surface of zinc-blende CdSe quantum dots.

Published in:

Nano Research, 2024, v. 17, n. 12, p. 10685, doi. 10.1007/s12274-024-6983-9

By:

Zhang, Haibing;
Cao, Bichuan;
Huang, Lei;
Peng, Xiaogang;
Wang, Linjun

Publication type:

Article

ON THE CRYSTAL FIELD ANALYSIS OF Cr4+ ENERGY LEVELS IN Rb2CrF6.

Published in:

Modern Physics Letters B, 2006, v. 20, n. 17, p. 1007, doi. 10.1142/S0217984906011712

By:

BRIK, M. G.

Publication type:

Article

Ce4F-Ligand Dehybridization in CeT[sub 2]X[sub 2]-Based Kondo Lattice/Heavy Fermion Systems.

Published in:

International Journal of Modern Physics B: Condensed Matter Physics; Statistical Physics; Applied Physics, 2002, v. 16, n. 19, p. 2815, doi. 10.1142/S0217979202011378

By:

Liang, G.;
Yao, Q.

Publication type:

Article

Synthesis and Structural Studies of Cr(III), Mn(II) and Fe(III) Complexes of N(2-Benzimidazolyl)acetylacetohydrazone.

Published in:

E-Journal of Chemistry, 2011, v. 8, n. 1, p. 421, doi. 10.1155/2011/650764

By:

Anuradha, G. H.;
Chandra Pal, A. V.

Publication type:

Article

An in silico comparative study of curcumin and 2‐deoxyuridine nucleoside derivatives: Reveals the role of angiogenin in ER stress‐induced apoptosis signaling.

Published in:

Chemical Biology & Drug Design, 2023, v. 101, n. 5, p. 1048, doi. 10.1111/cbdd.14184

By:

Ahmad, Faizan;
Lakshmi, Palanisamy Thanga Velan

Publication type:

Article

Partitioning of metals in different binding phases of tropical estuarine sediments: importance of metal chemistry.

Published in:

Environmental Science & Pollution Research, 2016, v. 23, n. 4, p. 3450, doi. 10.1007/s11356-015-5475-6

By:

Chakraborty, Parthasarathi;
Chakraborty, Sucharita;
Vudamala, Krushna;
Sarkar, Arindam;
Nath, B.

Publication type:

Article

Metal salen complexes as ethylene polymerization catalysts -- effect of catalytic system composition on its activity and properties of polymerization products.

Published in:

Polimery, 2008, v. 53, n. 5, p. 364, doi. 10.14314/polimery.2008.364

By:

Białek, Marzen;
Czaja, Krystyna

Publication type:

Article

On the force field optimisation of β-lactam cores using the force field Toolkit.

Published in:

Journal of Computer-Aided Molecular Design, 2022, v. 36, n. 7, p. 537, doi. 10.1007/s10822-022-00464-3

By:

Wu, Qiyang;
Huang, Tianyang;
Xia, Songyan;
Otto, Frank;
Lee, Tzong-Yi;
Huang, Hsien-Da;
Chiang, Ying-Chih

Publication type:

Article

Synthesis, Characterization and Antibacterial Investigation of Mononuclear Copper (II) Complexes of Amine-phenolate Based Ligands.

Published in:

Polycyclic Aromatic Compounds, 2024, v. 44, n. 1, p. 162, doi. 10.1080/10406638.2023.2169720

By:

Jindal, Ambika;
Kapoor, Sumeet;
Verma, Indresh;
Raju, Anish;
Arora, Himanshu;
Tyagi, Priyanka

Publication type:

Article

Novel Mononuclear Tetrabromonitrosylrhenate(II) Complexes Containing Azole-Type Ligands: Magnetostructural Characterization through Hirshfeld Surfaces Analysis.

Published in:

Crystals (2073-4352), 2023, v. 13, n. 4, p. 658, doi. 10.3390/cryst13040658

By:

Pacheco, Mario;
González-Platas, Javier;
Kremer, Carlos;
Julve, Miguel;
Lloret, Francesc;
Cuevas, Alicia

Publication type:

Article

Unravelling the Chemistry of the [Cu(4,7-Dichloroquinoline)2Br2]2 Dimeric Complex through Structural Analysis: A Borderline Ligand Field Case.

Published in:

Crystals (2073-4352), 2020, v. 10, n. 6, p. 477, doi. 10.3390/cryst10060477

By:

Finocchio, Giada;
Rizzato, Silvia;
Macetti, Giovanni;
Tusha, Gers;
Lo Presti, Leonardo

Publication type:

Article

Back Cover.

Published in:: Chinese Journal of Chemistry, 2023, v. 41, n. 20, p. 2760, doi. 10.1002/cjoc.202390204
Publication type:: Article

Synthesis and Investigation of Bivalent Thiosemicarbazone Complexes: Conformational Analysis, Methyl Green DNA Binding and In-silico Studies.

Published in:

Arabian Journal for Science & Engineering (Springer Science & Business Media B.V. ), 2023, v. 48, n. 1, p. 273, doi. 10.1007/s13369-022-06941-z

By:

Alkhamis, Kholood;
Alatawi, Nada M.;
Alsoliemy, Amerah;
Qurban, Jihan;
Alharbi, Arwa;
Khalifa, Mohamed E.;
Zaky, Rania;
El-Metwaly, Nashwa M.

Publication type:

Article

Structural, Physical, and Optical Characteristics and γ-Ray Protection Efficacy of Fluoroboro-Tellurite Glasses Reinforced with La3+ Ions.

Published in:

Journal of Electronic Materials, 2024, v. 53, n. 10, p. 6575, doi. 10.1007/s11664-024-11346-9

By:

Alsaif, Norah A. M.;
Alfryyan, Nada;
Al-Ghamdi, Hanan;
Kotb, S. M.;
Talaat, S.;
Abdelghany, A. M.;
Rammah, Yasser S.;
Abouhaswa, A. S.;
Sadeq, M. S.

Publication type:

Article

Theoretical investigation of the optical spectra and local lattice structure for Mn5+ in a Sr10(VO4)6F2 crystal.

Published in:

Philosophical Magazine, 2010, v. 90, n. 9, p. 1213, doi. 10.1080/14786430903321396

By:

Feng, W. L.;
Zhong, Y. C.;
Zhang, F.;
Wei, Q.;
Zhang, X. H.

Publication type:

Article

Theoretical study of the local lattice structure for Mn2+ in the K2MgF4:Mn2+ system.

Published in:

Molecular Physics, 2009, v. 107, n. 1, p. 37, doi. 10.1080/00268970802698648

By:

Jiao, Z. -Y.;
Ma, S. -H.;
Kuang, X. -Y.;
Zhang, X. -Z.;
Wang, T. -X.

Publication type:

Article

Theoretical study of the dependence of EPR spectra on local structure for octahedral Cr3+ centres in oxides and fluorides series.

Published in:

Molecular Physics, 2008, v. 106, n. 8, p. 999, doi. 10.1080/00268970802029489

By:

Rui-Peng Chai;
Xiao-Yu Kuang;
Mei-Ling Duan;
Cai-Xia Zhang;
Hong-Li Guo

Publication type:

Article

Nanocrystallized copper phosphate endowed with photothermal conversion and photoacoustic imaging capabilities.

Published in:

Functional Materials Letters, 2025, v. 18, n. 1, p. 1, doi. 10.1142/S1793604725500031

By:

Kong, Weiheng;
Li, Huaijiang;
Zhao, Yan

Publication type:

Article