Works matching DE "VALENCE bonds"

Results: 210

Test case for perspectivism: incompatible models in quantum chemistry.

Published in:

Foundations of Chemistry, 2025, v. 27, n. 1, p. 35, doi. 10.1007/s10698-024-09502-4

By:

Accorinti, Hernan Lucas;
González, Juan Camilo Martínez

Publication type:

Article

Theoretical Study of Characteristic Vibration Frequencies of Various Prototropic Forms of 5R-Tetrazoles.

Published in:

Russian Journal of General Chemistry, 2025, v. 95, n. 6, p. 1574, doi. 10.1134/S107036322560242X

By:

Mazhai, V. S.;
Trifonov, R. E.

Publication type:

Article

Hierarchical screening of ICSD to search for new high-conductive solid-state materials among mixed polyanionic oxohalides for sodium-ion batteries.

Published in:

Journal of Solid State Electrochemistry, 2025, v. 29, n. 7, p. 3043, doi. 10.1007/s10008-025-06205-4

By:

Morkhova, Yelizaveta A.;
Osipov, Vladislav T.;
Antonyuk, Alexander V.;
Naugolnova, Irina A.

Publication type:

Article

High‐Entropy Cs(Pb1/3Mn1/3Ni1/3)Br3 Perovskite Nanocrystals Prepared by High Energy Ball Milling and their Luminescence Properties.

Published in:

Particle & Particle Systems Characterization, 2022, v. 39, n. 9, p. 1, doi. 10.1002/ppsc.202200073

By:

Mao, Hengbin;
Wang, Lei;
Li, Junhui;
Jiang, Xin;
Xue, Shiwei;
Li, Mingliang;
Zhu, Jinpeng;
Fan, Bingbing;
Xu, Tingting;
Shao, Gang;
Xu, Hongliang;
Wang, Hailong;
Zhang, Rui;
Lu, Hongxia

Publication type:

Article

A commentary on Weisberg's critique of the 'structural conception' of chemical bonding.

Published in:

Foundations of Chemistry, 2023, v. 25, n. 2, p. 253, doi. 10.1007/s10698-022-09454-7

By:

Scerri, Eric R.

Publication type:

Article

Metal Template Synthesis of 'Broken' Aromatic Preorganized Terdentate Hosts for the Recognition of Lanthanide Tris‐β‐Diketonate Guests.

Published in:

Helvetica Chimica Acta, 2023, v. 106, n. 5, p. 1, doi. 10.1002/hlca.202200190

By:

Le‐Hoang, Giau;
Guénée, Laure;
Naseri, Soroush;
Besnard, Céline;
Piguet, Claude

Publication type:

Article

RESEARCH OF COMPLEXES OF GOSSYPOL DERIVATIVES.

Published in:

Journal of Research in Pharmacy, 2023, v. 27, p. 59

By:

REZHEPOV, K. Zh.;
ALIMBAYEVA, Sh. B.;
DAVLATBOYEVA, M. O.;
KHODZHANIYAZOV, B. A.;
MATCHANOV, A. D.

Publication type:

Article

Probing resonating valence bonds on a programmable germanium quantum simulator.

Published in:

NPJ Quantum Information, 2023, v. 9, n. 1, p. 1, doi. 10.1038/s41534-023-00727-3

By:

Wang, Chien-An;
Déprez, Corentin;
Tidjani, Hanifa;
Lawrie, William I. L.;
Hendrickx, Nico W.;
Sammak, Amir;
Scappucci, Giordano;
Veldhorst, Menno

Publication type:

Article

Extraction of a One-Particle Reduced Density Matrix from a Quantum Monte Carlo Electronic Density: A New Tool for Studying Nondynamic Correlation.

Published in:

Computation, 2021, v. 9, n. 12, p. 135, doi. 10.3390/computation9120135

By:

Naim, Carmelo;
Amovilli, Claudio

Publication type:

Article

Crystal structures of biocompatible Mg-, Zn-, and Co-whitlockites synthesized via one-step hydrothermal reaction.

Published in:

Zeitschrift für Kristallographie. Crystalline Materials, 2023, v. 238, n. 9/10, p. 301, doi. 10.1515/zkri-2023-0016

By:

Stefanovich, Sergey Yu.;
Lazoryak, Bogdan I.;
Antipin, Alexander M.;
Volkov, Anatoliy S.;
Evdokimov, Andrei I.;
Gurbanova, Olga A.;
Dimitrova, Olga V.;
Deyneko, Dina V.

Publication type:

Article

New and refined bond valence parameters for Te4+–F−, Te4+–S2− and Te4+–Se2− ion pairs.

Published in:

Zeitschrift für Kristallographie. Crystalline Materials, 2022, v. 237, n. 10-12, p. 435, doi. 10.1515/zkri-2022-0042

By:

Hamani, David;
Torzuoli, Lyna;
Bouzid, Assil;
Thomas, Philippe;
Masson, Olivier

Publication type:

Article

The extended variant of the bond valence-bond length correlation curve for boron(III)-oxygen bonds.

Published in:

Zeitschrift für Kristallographie. Crystalline Materials, 2015, v. 230, n. 7, p. 495, doi. 10.1515/zkri-2015-1847

By:

Sidey, Vasyl

Publication type:

Article

C5 Pentacle Structures: A Localization‐Delocalization Matrices Approach.

Published in:

ChemistryOpen, 2024, v. 13, n. 9, p. 1, doi. 10.1002/open.202300277

By:

Pilmé, Julien;
Spezia, Riccardo

Publication type:

Article

The Origin of the σ‐Hole in Halogen Atoms: a Valence Bond Perspective.

Published in:

ChemistryOpen, 2020, v. 9, n. 4, p. 445, doi. 10.1002/open.202000062

By:

Franchini, Davide;
Forni, Alessandra;
Genoni, Alessandro;
Pieraccini, Stefano;
Gandini, Enrico;
Sironi, Maurizio

Publication type:

Article

Experimental study and model prediction of the influence of different factors on the mechanical properties of saline clay.

Published in:

Scientific Reports, 2025, v. 15, n. 1, p. 1, doi. 10.1038/s41598-025-87250-x

By:

Cheng, Hui;
Zhang, Lingkai;
Shi, Chong;
Fan, Pei Pei

Publication type:

Article

Nature of strong hole pairing in doped Mott antiferromagnets.

Published in:

Scientific Reports, 2014, p. 1, doi. 10.1038/srep05419

By:

Zheng Zhu;
Hong-Chen Jiang;
D. N. Sheng;
Zheng-Yu Weng

Publication type:

Article

Implementation of molecular symmetry in valence bond calculation.

Published in:

Journal of the Chinese Chemical Society, 2023, v. 70, n. 3, p. 341, doi. 10.1002/jccs.202200476

By:

Ji, Chenru;
Ying, Fuming;
Su, Peifeng;
Zhou, Chen;
Wu, Wei

Publication type:

Article

Theory for cuprate high-temperature superconductors in the underdoped regime: the singlet-bond superconductivity.

Published in:

European Physical Journal B: Condensed Matter, 2022, v. 95, n. 4, p. 1, doi. 10.1140/epjb/s10051-022-00322-z

By:

Kaga, Hiroyuki

Publication type:

Article

Study of supersolidity in the two-dimensional Hubbard-Holstein model.

Published in:

European Physical Journal B: Condensed Matter, 2018, v. 91, n. 9, p. 1, doi. 10.1140/epjb/e2018-90350-y

By:

Ghosh, Amrita;
Kar, Satyaki;
Yarlagadda, Sudhakar

Publication type:

Article

The essential role of charge-shift bonding in hypervalent prototype XeF2.

Published in:

Nature Chemistry, 2013, v. 5, n. 5, p. 417, doi. 10.1038/nchem.1619

By:

Braïda, Benoît;
Hiberty, Philippe C.

Publication type:

Article

First-principles study of hydrogen incorporation into the Ti3SiC2/Zr heterojunction.

Published in:

Modern Physics Letters B, 2020, v. 34, n. 1, p. N.PAG, doi. 10.1142/S0217984920500141

By:

Li, Yingying;
Yang, Xuxin;
Wang, Zihao;
Hu, Yonghong;
Mao, Caixia;
Wang, Juntao;
Li, Huailin;
Wu, Yunyi

Publication type:

Article

Anisotropic deconfined criticality in Dirac spin liquids.

Published in:

Journal of High Energy Physics, 2022, v. 2022, n. 7, p. 1, doi. 10.1007/JHEP07(2022)141

By:

Shackleton, Henry;
Sachdev, Subir

Publication type:

Article

Effects of Sintering Behavior, Structure, Packing Fraction, and Bond Valence on the Microwave Dielectric Properties of Low-Permittivity Na2Ba6Si4O15 Ceramics.

Published in:

Journal of Electronic Materials, 2023, v. 52, n. 8, p. 5440, doi. 10.1007/s11664-023-10489-5

By:

He, Yinghan;
Wei, Xiaoli;
Wu, You;
Chen, Xiuli;
Zhou, Huanfu

Publication type:

Article

Nitride Zeolites from Ammonothermal Synthesis.

Published in:

Chemistry - A European Journal, 2025, v. 31, n. 10, p. 1, doi. 10.1002/chem.202404405

By:

Engelsberger, Florian M.;
Schnick, Wolfgang

Publication type:

Article

Solvent Effect on Dative and Ionic Bond Strengths: A Unified Theory from Potential Analysis and Valence‐Bond Computations.

Published in:

Chemistry - A European Journal, 2024, v. 30, n. 53, p. 1, doi. 10.1002/chem.202402008

By:

Peng, Xinru;
Li, Jiayao;
Fan, Yakun;
Wang, Xubin;
Yin, Shiwei;
Wang, Changwei;
Mo, Yirong

Publication type:

Article

Pressure‐Assisted Synthesis of Highly Crystalline 1T′′‐LixMoS2.

Published in:

Chemistry - A European Journal, 2024, v. 30, n. 5, p. 1, doi. 10.1002/chem.202302565

By:

Schwarzmüller, Stefan;
Wurst, Klaus;
Heymann, Gunter;
Huppertz, Hubert

Publication type:

Article

The Challenging World of Simple Inorganic Rings: Revisiting Roesky's Ketone and Roesky's Sulfoxide.

Published in:

Chemistry - A European Journal, 2023, v. 29, n. 67, p. 1, doi. 10.1002/chem.202302449

By:

Cunha, Ana V.;
Havenith, Remco W. A.;
Van Alsenoy, Christian;
Blockhuys, Frank

Publication type:

Article

High‐Pressure and High‐Temperature Dion–Jacobson Layered Perovskite Polymorphs of KWO3F.

Published in:

Chemistry - A European Journal, 2023, v. 29, n. 43, p. 1, doi. 10.1002/chem.202301098

By:

Zimmerhofer, Fabian;
Krüger, Hannes;
Huppertz, Hubert

Publication type:

Article

Dichotomy of Delocalization/Localization and Charge‐Shift Bonding in Germanazene and its Heavier Group 14 Analogues: a Valence Bond Study.

Published in:

Chemistry - A European Journal, 2023, v. 29, n. 36, p. 1, doi. 10.1002/chem.202300992

By:

Jain, Shailja;
Danovich, David;
Radenković, Slavko;
Shaik, Sason

Publication type:

Article

Orbital Nature of Carboionic Monoradicals Made from Diradicals.

Published in:

Chemistry - A European Journal, 2023, v. 29, n. 27, p. 1, doi. 10.1002/chem.202300388

By:

Valdivia, Abel Cardenas;
Dai, Yasi;
Rambaldi, Filippo;
Barker, Joshua E.;
Dressler, Justin J.;
Zhou, Zheng;
Zhu, Yikun;
Wei, Zheng;
Petrukhina, Marina A.;
Haley, Michael M.;
Negri, Fabrizia;
Casado, Juan

Publication type:

Article

Preorganized Polyaromatic Soft Terdentate Hosts for the Capture of [Ln(β‐diketonate)3] Guests in Solution.

Published in:

Chemistry - A European Journal, 2023, v. 29, n. 10, p. 1, doi. 10.1002/chem.202202727

By:

Naseri, Soroush;
Mirzakhani, Mohsen;
Besnard, Céline;
Guénée, Laure;
Briant, Liza;
Nozary, Homayoun;
Piguet, Claude

Publication type:

Article

Hydrogen and Halogen Bonding in Homogeneous External Electric Fields: Modulating the Bond Strengths.

Published in:

Chemistry - A European Journal, 2021, v. 27, n. 56, p. 14042, doi. 10.1002/chem.202102284

By:

Chen, Li;
Dang, Jingshuang;
Du, Juan;
Wang, Changwei;
Mo, Yirong

Publication type:

Article

On the Bonding Nature in the Crystalline Tri‐Thorium Cluster: Core‐Shell Syngenetic σ‐Aromaticity.

Published in:

Angewandte Chemie, 2022, v. 134, n. 37, p. 1, doi. 10.1002/ange.202209658

By:

Lin, Xuhui;
Mo, Yirong

Publication type:

Article

Na⋅⋅⋅B Bond in NaBH3−: Solving the Conundrum.

Published in:

Angewandte Chemie, 2021, v. 133, n. 23, p. 12833, doi. 10.1002/ange.202100616

By:

Radenković, Slavko;
Shaik, Sason S.;
Braïda, Benoît

Publication type:

Article

Charge‐Shift Bonding: A New and Unique Form of Bonding.

Published in:

Angewandte Chemie, 2020, v. 132, n. 3, p. 996, doi. 10.1002/ange.201910085

By:

Shaik, Sason;
Danovich, David;
Galbraith, John Morrison;
Braïda, Benoît;
Wu, Wei;
Hiberty, Philippe C.

Publication type:

Article

Synthesis, Single‐Crystal Structure, Dielectric Properties of a New Phosphate K3Bi6.5(PO4)7.5.

Published in:

Crystal Research & Technology, 2021, v. 56, n. 5, p. 1, doi. 10.1002/crat.202000228

By:

Falah, Chiraz;
Ben Smida, Youssef;
Sdiri, Nasr;
Soltani, Taoufik

Publication type:

Article

Black TiO 2 and Oxygen Vacancies: Unraveling the Role in the Thermal Anatase-to-Rutile Transformation.

Published in:

Applied Nano, 2024, v. 5, n. 2, p. 72, doi. 10.3390/applnano5020007

By:

Allieta, Mattia;
Coduri, Mauro;
Naldoni, Alberto

Publication type:

Article

电感耦合等离子体串联质谱技术测定金属铬中痕量元素.

Published in:

Chinese Journal of Inorganic Analytical Chemistry / Zhongguo Wuji Fenxi Huaxue, 2025, v. 15, n. 3, p. 389, doi. 10.20236/j.CJIAC.2025.03.010

By:

王亚宁;
田悦鸣;
陈靖;
张艳;
房丽娜;
高颂

Publication type:

Article

REFERENCES.

Published in:: Algebras, Groups & Geometries, 2019, v. 36, n. 1, p. 141
Publication type:: Article

The Vibrational Spectroscopy of the Valence Bonds of Cu-Doped TiO2 Using Electronegativity Principle Quantitative Calculations.

Published in:

Journal of Spectroscopy, 2020, p. 1, doi. 10.1155/2020/8818709

By:

Yan, Ji-Kang;
Chen, Jun-Yu;
Gan, Guo-You

Publication type:

Article

Crystal Structure and Microwave Dielectric Characteristics of Novel Ba(Eu 1/5 Sm 1/5 Nd 1/5 Pr 1/5 La 1/5) 2 Ti 4 O 12 High-Entropy Ceramic.

Published in:

Crystals (2073-4352), 2024, v. 14, n. 9, p. 754, doi. 10.3390/cryst14090754

By:

Wan, Qing;
Li, Zeping;
Wang, Huifeng;
Xiong, Gang;
Wang, Geng

Publication type:

Article

Phase Compositions and Microwave Dielectric Properties of Na 1+x SrB 5 O 9+0.5x Ceramics.

Published in:

Crystals (2073-4352), 2023, v. 13, n. 7, p. 1042, doi. 10.3390/cryst13071042

By:

Lu, Xuepeng;
Wu, Peng;
Yang, Huimin;
Yang, Min;
Zheng, Yong

Publication type:

Article

Real space electron delocalization, resonance, and aromaticity in chemistry.

Published in:

Nature Communications, 2021, v. 12, n. 1, p. 1, doi. 10.1038/s41467-021-25091-8

By:

Reuter, Leonard;
Lüchow, Arne

Publication type:

Article

External electric field effects on chemical structure and reactivity.

Published in:

WIREs: Computational Molecular Science, 2020, v. 10, n. 2, p. N.PAG, doi. 10.1002/wcms.1438

By:

Stuyver, Thijs;
Danovich, David;
Joy, Jyothish;
Shaik, Sason

Publication type:

Article

Topological Many-Body States in Quantum Antiferromagnets via Fuzzy Supergeometry.

Published in:

Symmetry (20738994), 2013, v. 5, n. 2, p. 119, doi. 10.3390/sym5020119

By:

Kazuki Hasebe;
Keisuke Totsuka

Publication type:

Article

Synthesis, crystal structure and alkaline pathways simulation of K3Na(Mo0.67Cr0.33O4)2 adopting glaserite structure-type.

Published in:

Journal of the Iranian Chemical Society, 2023, v. 20, n. 3, p. 751, doi. 10.1007/s13738-022-02715-4

By:

Dridi, Wassim;
Marzouki, Amira;
Ben Smida, Youssef;
Brahmia, Ameni;
Marzouki, Riadh;
Zid, Mohamed Faouzi

Publication type:

Article

A novel formulation of an approximate valence bond model (AVB2) and its application to the tautomeric forms of porphyrin and porphycene.

Published in:

Journal of Molecular Modeling, 2019, v. 25, n. 6, p. N.PAG, doi. 10.1007/s00894-019-4022-7

By:

Hallay-Suszek, Marta;
Grochowski, Paweł;
Lesyng, Bogdan

Publication type:

Article

Microstructure and Microwave Dielectric Properties of BaNdTi(MgNb)O Ceramics.

Published in:

Journal of Electronic Materials, 2015, v. 44, n. 4, p. 1081, doi. 10.1007/s11664-015-3630-y

By:

Chen, Hetuo;
Tang, Bin;
Duan, Shuxin;
Yang, Han;
Li, Yingxiang;
Li, Hao;
Zhang, Shuren

Publication type:

Article

The apparent difference in microwave dielectric properties of Ca3MZnGe3O12 (M = Zr, Sn) garnets originating from compression and rattling effects.

Published in:

Journal of Materials Science: Materials in Electronics, 2022, v. 33, n. 26, p. 21101, doi. 10.1007/s10854-022-08913-3

By:

Wang, Zhaohui;
Fang, Weishuang;
Tang, Ying;
Xiang, Huaicheng;
Li, Jie;
Fang, Liang

Publication type:

Article

Crystal structure and microwave dielectric properties of Mg2+-Si4+ co-modified yttrium aluminum garnet ceramics.

Published in:

Journal of Materials Science: Materials in Electronics, 2022, v. 33, n. 7, p. 4712, doi. 10.1007/s10854-021-07661-0

By:

Wu, Guofa;
Ma, Mingtao;
Li, Aihua;
Song, Kaixin;
Khesro, Amir;
Bafrooei, Hadi Barzegar;
Taheri-nassaj, Ehsan;
Luo, Shaojin;
Shi, Feng;
Sun, Shikuan;
Wang, Dawei

Publication type:

Article