Works matching DE "VALENCE bonds"

Results: 196

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

A Computational Framework to Accelerate the Discovery of Perovskites for Solar Thermochemical Hydrogen Production: Identification of Gd Perovskite Oxide Redox Mediators.

Published in:

Advanced Functional Materials, 2022, v. 32, n. 25, p. 1, doi. 10.1002/adfm.202200201

By:

Bare, Zachary J. L.;
Morelock, Ryan J.;
Musgrave, Charles B.

Publication type:

Article

A Database of Ionic Transport Characteristics for Over 29 000 Inorganic Compounds.

Published in:

Advanced Functional Materials, 2020, v. 30, n. 35, p. 1, doi. 10.1002/adfm.202003087

By:

Zhang, Liwen;
He, Bing;
Zhao, Qian;
Zou, Zheyi;
Chi, Shuting;
Mi, Penghui;
Ye, Anjiang;
Li, Yajie;
Wang, Da;
Avdeev, Maxim;
Adams, Stefan;
Shi, Siqi

Publication type:

Article

Evolution of Local Structural Ordering and Chemical Distribution upon Delithiation of a Rock Salt–Structured Li1.3Ta0.3Mn0.4O2 Cathode.

Published in:

Advanced Functional Materials, 2019, v. 29, n. 17, p. N.PAG, doi. 10.1002/adfm.201808294

By:

Kan, Wang Hay;
Wei, Chenxi;
Chen, Dongchang;
Bo, Tao;
Wang, Bao‐Tian;
Zhang, Yan;
Tian, Yangchao;
Lee, Jun‐Sik;
Liu, Yijin;
Chen, Guoying

Publication type:

Article

Applying the Jellium model to octacarbonyl metal complexes.

Published in:

Communications Chemistry, 2020, v. 3, n. 1, p. 1, doi. 10.1038/s42004-020-0285-2

By:

Wang, Kun;
Xu, Chang;
Li, Dan;
Cheng, Longjiu

Publication type:

Article

Visualisation of Electronic Excited‐State Correlation in Real Space.

Published in:

ChemPhotoChem, 2019, v. 3, n. 9, p. 702, doi. 10.1002/cptc.201900014

By:

Plasser, Felix

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

unified superatomic-molecule theory for local aromaticity in π-conjugated systems.

Published in:

National Science Review, 2023, v. 10, n. 3, p. 1, doi. 10.1093/nsr/nwac216

By:

(李丹), Dan Li;
(杨金龙), Jinlong Yang;
(程龙玖), Longjiu Cheng

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

Correlation between Si-Al disorder and hydrogen-bonding distance variation in ussingite (Na2AlSi3O8OH) revealed by one- and two-dimensional multi-nuclear NMR and first-principles calculation.

Published in:

American Mineralogist, 2024, v. 109, n. 5, p. 858, doi. 10.2138/am-2023-9008

By:

Xue, Xianyu;
Kanzaki, Masami

Publication type:

Article

Mineral and crystal chemical study of pseudo-C2/m non-metamict chevkinite-(Ce): An investigation into the intracrystalline distribution of LREE, HREE, and octahedral cations in samples from the Azores and Pakistan.

Published in:

American Mineralogist, 2024, v. 109, n. 5, p. 896, doi. 10.2138/am-2022-8658

By:

Carbonin, Susanna;
Ridolfi, Filippo;
Renzulli, Alberto;
Belluso, Elena;
Nodari, Luca;
Liziero, Federica;
Capella, Silvana

Publication type:

Article

Cation partitioning among crystallographic sites based on bond-length constraints in tourmaline-supergroup minerals.

Published in:

American Mineralogist, 2021, v. 106, n. 6, p. 851, doi. 10.2138/am-2021-7804

By:

Bačík, Peter;
Fridrichová, Jana

Publication type:

Article

Bond valence and bond energy.

Published in:

American Mineralogist, 2017, v. 102, n. 4, p. 804, doi. 10.2138/am-2017-5938

By:

BICKMORE, BARRY R.;
CRAVEN, OWEN;
WANDER, MATTHEW C. F.;
CHECKETTS, HANNAH;
WHITMER, JOSHUA;
SHURTLEFF, CHRISTOPHER;
YEATES, DAVID;
ERNSTROM, KIERSTEN;
ANDROS, CHARLES;
THOMPSON, HANNAH

Publication type:

Article

The valence quadrupole moment.

Published in:

American Mineralogist, 2016, v. 101, n. 2, p. 362, doi. 10.2138/am-2016-5304

By:

SHEPHERD, KENDRICK;
WANDER, MATTHEW C. F.;
BICKMORE, BARRY R.;
JOHANSEN, W. JOEL;
GOODELL, TYLER;
DAVIS, MATTHEW;
ANDROS, CHARLES;
LIND, LARISS A.;
ROBERTSON, KATHLEEN

Publication type:

Article

On understanding the structure and composition of crystals.

Published in:

American Mineralogist, 2015, v. 100, n. 11/12, p. 2365, doi. 10.2138/am-2015-5391

By:

BROWN, I. DAVID

Publication type:

Article

The use of cation-cation and anion-anion bonds to augment the bond-valence model.

Published in:

American Mineralogist, 2015, v. 100, n. 1, p. 148, doi. 10.2138/am-2015-4810

By:

WANDER, MATTHEW C. F.;
BICKMORE, BARRY R.;
DAVIS, MATTHEW;
JOHANSEN, W. JOEL;
ANDROS, CHARLES;
LIND, LARISSA

Publication type:

Article

Highlights and Breakthroughs. A step closer to predicting the bonding geometry of crystals.

Published in:

American Mineralogist, 2013, v. 98, n. 7, p. 1093, doi. 10.2138/am.2013.4514

By:

Brown, I. David

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

Hydride Abstraction as the Rate-Limiting Step of the Irreversible Inhibition of Monoamine Oxidase B by Rasagiline and Selegiline: A Computational Empirical Valence Bond Study.

Published in:

International Journal of Molecular Sciences, 2020, v. 21, n. 17, p. 6151, doi. 10.3390/ijms21176151

By:

Tandarić, Tana;
Prah, Alja;
Stare, Jernej;
Mavri, Janez;
Vianello, Robert

Publication type:

Article

Chemical Bonding: The Orthogonal Valence-Bond View.

Published in:

International Journal of Molecular Sciences, 2015, v. 16, n. 4, p. 8896, doi. 10.3390/ijms16048896

By:

Sax, Alexander F.

Publication type:

Article

Puzzles in bonding and spectroscopy: the case of dicarbon.

Published in:

Science Progress, 2016, v. 99, n. 1, p. 1, doi. 10.3184/003685016X14509452393033

By:

Macrae, Roderick M.

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

Theoretical and experimental developments in quantum spin liquid in geometrically frustrated magnets: a review.

Published in:

Journal of Materials Science, 2020, v. 55, n. 6, p. 2257, doi. 10.1007/s10853-019-04128-w

By:

Shaginyan, V. R.;
Stephanovich, V. A.;
Msezane, A. Z.;
Japaridze, G. S.;
Clark, J. W.;
Amusia, M. Ya.;
Kirichenko, E. V.

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

Valence bond glass state in the 4d1 fcc antiferromagnet Ba2LuMoO6.

Published in:

NPJ Quantum Materials, 2022, v. 7, n. 1, p. 1, doi. 10.1038/s41535-022-00480-4

By:

Mustonen, O. H. J.;
Mutch, H. M.;
Walker, H. C.;
Baker, P. J.;
Coomer, F. C.;
Perry, R. S.;
Pughe, C.;
Stenning, G. B. G.;
Liu, C.;
Dutton, S. E.;
Cussen, E. J.

Publication type:

Article

A Nanoscale Cobalt Functionalized Strandberg-Type Phosphomolybdate with β -Sheet Conformation Modulation Ability in Anti-Amyloid Protein Misfolding.

Published in:

Inorganics, 2023, v. 11, n. 11, p. 442, doi. 10.3390/inorganics11110442

By:

Wang, Man;
Hua, Jiai;
Zheng, Pei;
Tian, Yuanzhi;
Kang, Shaodan;
Chen, Junjun;
Duan, Yifan;
Ma, Xiang

Publication type:

Article

Chemical Bonding in the C 2 Molecule.

Published in:

Inorganics, 2023, v. 11, n. 6, p. 245, doi. 10.3390/inorganics11060245

By:

Sax, Alexander F.

Publication type:

Article

On the Edge Metric Dimension of Certain Polyphenyl Chains.

Published in:

Journal of Chemistry, 2021, p. 1, doi. 10.1155/2021/3855172

By:

Ahsan, Muhammad;
Zahid, Zohaib;
Alrowaili, Dalal;
Iampan, Aiyared;
Siddique, Imran;
Zafar, Sohail

Publication type:

Article

Network-forming oxides with non-centrosymmetric structural groups - diffraction results on molybdate and tellurite glasses.

Published in:

Physics & Chemistry of Glasses: European Journal of Glass Science & Technology Part B, 2022, v. 63, n. 6, p. 161, doi. 10.13036/17533562.63.6.13

By:

Hoppe, Uwe

Publication type:

Article

A bond topological approach to borate minerals: A brief review.

Published in:

Physics & Chemistry of Glasses: European Journal of Glass Science & Technology Part B, 2018, v. 59, n. 3, p. 121, doi. 10.13036/17533562.59.3.023

By:

Hawthorne, F. C.

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

Novel Co5 Cluster Based Triazole Bridged Cobalt‐Fluorophosphate: Synthesis, Structure, Magnetic and Heterogeneous Catalytic Epoxidation Studies.

Published in:

European Journal of Inorganic Chemistry, 2023, v. 26, n. 21, p. 1, doi. 10.1002/ejic.202300123

By:

Sen, Rupam;
De, Sudipta;
dos Santos, Antonio M.;
Escobar, Lívia B. L.;
Brandão, Paula Cristina;
Almeida Paz, Filipe A.;
Reis, Mario S.;
Lin, Zhi

Publication type:

Article

Calculation of Energy Diagram of Asymmetric Graded-Band-Gap Semiconductor Superlattices.

Published in:

Nanoscale Research Letters, 2017, v. 12, n. 1, p. 1, doi. 10.1186/s11671-017-1981-4

By:

Monastyrskii, Liubomyr;
Sokolovskii, Bogdan;
Alekseichyk, Mariya

Publication type:

Article

Isotope Effect of Underdoped Cuprates in the Yang-Rice-Zhang Model.

Published in:

Journal of Superconductivity & Novel Magnetism, 2015, v. 28, n. 7, p. 1985, doi. 10.1007/s10948-014-2931-3

By:

Schachinger, E.;
Carbotte, J.

Publication type:

Article

Multireference Configuration Interaction Methods - An Application to the Valence Isomerism in Cyclobutadieno-p-benzoquinone and its Diprotonated Form.

Published in:

Croatica Chemica Acta, 2015, v. 88, n. 4, p. 495, doi. 10.5562/cca2770

By:

Vazdar, Mario;
Eckert-Maksić, Mirjana

Publication type:

Article

Nematicity and quantum paramagnetism in FeSe.

Published in:

Nature Physics, 2015, v. 11, n. 11, p. 959, doi. 10.1038/nphys3456

By:

Wang, Fa;
Kivelson, Steven A.;
Lee, Dung-Hai

Publication type:

Article

Spin-disordered quantum phases in a quasi-one-dimensional triangular lattice.

Published in:

Nature Physics, 2015, v. 11, n. 8, p. 679, doi. 10.1038/nphys3359

By:

Yoshida, Yukihiro;
Ito, Hiroshi;
Maesato, Mitsuhiko;
Shimizu, Yasuhiro;
Hayama, Hiromi;
Hiramatsu, Takaaki;
Nakamura, Yuto;
Kishida, Hideo;
Koretsune, Takashi;
Hotta, Chisa;
Saito, Gunzi

Publication type:

Article

Liquids more stable than crystals in particles with limited valence and flexible bonds.

Published in:

Nature Physics, 2013, v. 9, n. 9, p. 554, doi. 10.1038/nphys2693

By:

Smallenburg, Frank;
Sciortino, Francesco

Publication type:

Article

Athlete Social Support Network Modeling Based on Modern Valence Bond Theory.

Published in:

Complexity, 2020, p. 1, doi. 10.1155/2020/4392975

By:

Zhao, Ningshe

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

Enhancing ceria slurry performance for shallow trench isolation chemical mechanical polishing through non-ionic surfactant addition.

Published in:

International Journal of Advanced Manufacturing Technology, 2023, v. 128, n. 11/12, p. 4997, doi. 10.1007/s00170-023-12254-8

By:

Zhang, Lifei;
Xie, Lile;
Lu, Xinchun

Publication type:

Article

A 119Sn Mössbauer-spectroscopic characterization of the diamagnetic birefringence material Sn2B5O9Cl.

Published in:

Zeitschrift für Naturforschung B: A Journal of Chemical Sciences, 2019, v. 74, n. 11/12, p. 879, doi. 10.1515/znb-2019-0173

By:

Klenner, Steffen;
Bönnighausen, Judith;
Guo, Jingyu;
Yang, Zhihua;
Pan, Shilie;
Pöttgen, Rainer

Publication type:

Article

A 119Sn Mössbauer-spectroscopic characterization of the diamagnetic birefringence material Sn2B5O9Cl.

Published in:

Zeitschrift für Naturforschung B: A Journal of Chemical Sciences, 2019, p. 879, doi. 10.1515/znb-2019-0173

By:

Klenner, Steffen;
Bönnighausen, Judith;
Guo, Jingyu;
Yang, Zhihua;
Pan, Shilie;
Pöttgen, Rainer

Publication type:

Article

Crystal chemistry of K-tourmalines from the Kumdy-Kol microdiamond deposit, Kokchetav Massif, Kazakhstan.

Published in:

European Journal of Minerology, 2024, v. 36, n. 5, p. 797, doi. 10.5194/ejm-36-797-2024

By:

Celata, Beatrice;
Bosi, Ferdinando;
Musiyachenko, Kira A.;
Korsakov, Andrey V.;
Andreozzi, Giovanni B.

Publication type:

Article

Classification of ABO3 perovskite solids: a machine learning study.

Published in:

Acta Crystallographica Section B: Structural Science, Crystal Engineering & Materials, 2015, v. 71, n. 5, p. 507, doi. 10.1107/S2052520615013979

By:

Pilania, G.;
Balachandran, P. V.;
Gubernatis, J. E.;
Lookman, T.

Publication type:

Article