Works matching DE "VALENCE bonds"

Results: 206

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

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

Microwave dielectric properties of low-temperature sintered (1 − x)CaMoO4−x(Li0.5Y0.5)MoO4 (0.1 ≤ x ≤ 0.8) ceramics.

Published in:

Journal of Materials Science: Materials in Electronics, 2022, v. 33, n. 7, p. 3566, doi. 10.1007/s10854-021-07550-6

By:

Liu, Ying;
Gan, Lin;
Jiang, Juan;
Wang, Jinzhao;
Zhang, Tianjin

Publication type:

Article

Packing fraction, bond valence and crystal structure of AVO4 (A = Eu, Y) microwave dielectric ceramics with low permittivity.

Published in:

Journal of Materials Science: Materials in Electronics, 2020, v. 31, n. 21, p. 19180, doi. 10.1007/s10854-020-04454-9

By:

Chen, Jinwu;
Fang, Liang;
Li, Jie;
Tang, Ying;
Cheng, Kai;
Cao, Yijie

Publication type:

Article

Temperature effect on tension formation in styrene–divinylbenzene copolymers.

Published in:

Polymer International, 2024, v. 73, n. 10, p. 852, doi. 10.1002/pi.6669

By:

Bykov, Alexey V;
Demidenko, Galina N;
Stepacheva, Antonina A;
Markova, Mariia E

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

On the Spin-Coupled description of the pi system of the cyclopentadienyl anion.

Published in:

Theoretical Chemistry Accounts: Theory, Computation, & Modeling, 2024, v. 143, n. 7, p. 1, doi. 10.1007/s00214-024-03130-z

By:

Barbosa, André G. H.

Publication type:

Article

Calculation of dispersion interactions with the geminal-based ring Coupled Cluster Doubles method.

Published in:

Theoretical Chemistry Accounts: Theory, Computation, & Modeling, 2020, v. 139, n. 9, p. N.PAG, doi. 10.1007/s00214-020-02657-1

By:

Margócsy, Á.;
Szabados, Á.

Publication type:

Article

Three-center two-electron bonds in the boranes B2H6 and B3H8− from the quantum interference perspective.

Published in:

Theoretical Chemistry Accounts: Theory, Computation, & Modeling, 2020, v. 139, n. 8, p. N.PAG, doi. 10.1007/s00214-020-02654-4

By:

de Sousa, David Wilian Oliveira;
Nascimento, Marco Antonio Chaer

Publication type:

Article

A valence bond perspective of the reaction force formalism.

Published in:

Theoretical Chemistry Accounts: Theory, Computation, & Modeling, 2020, v. 139, n. 1, p. 1, doi. 10.1007/s00214-019-2538-7

By:

Rincon, Luis;
Torres, F. Javier;
Mora, Jose R.;
Zambrano, Cesar H.;
Rodriguez, Vladimir

Publication type:

Article

Bonding and Diels–Alder reactions of substituted 2-borabicyclo(1.1.0)but-1(3)-enes: a theoretical study.

Published in:

Theoretical Chemistry Accounts: Theory, Computation, & Modeling, 2019, v. 138, n. 9, p. N.PAG, doi. 10.1007/s00214-019-2491-5

By:

Zhang, Congjie;
Wang, Zhimin;
Song, Jinshuai;
Li, Chunsen;
Mo, Yirong

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

Equilibrium diamond-like carbon nanostructures with cubic anisotropy: Elastic properties.

Published in:

Physica Status Solidi (B), 2016, v. 253, n. 7, p. 1295, doi. 10.1002/pssb.201600049

By:

Lisovenko, D. S.;
Baimova, J. A.;
Rysaeva, L. Kh.;
Gorodtsov, V. A.;
Rudskoy, A. I.;
Dmitriev, S. V.

Publication type:

Article

Strain profiles and radii of semiconductor rolled-up tubes made by a single material.

Published in:

Physica Status Solidi (B), 2013, v. 250, n. 7, p. 1308, doi. 10.1002/pssb.201248387

By:

Laniel, Dominique;
Shtinkov, Nikolay

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

Search for singlet-triplet bistability or biradicaloid properties in polycyclic conjugated hydrocarbons: a valence-bond analysis.

Published in:

Molecular Physics, 2013, v. 111, n. 6, p. 735, doi. 10.1080/00268976.2012.742584

By:

Dias, Jerry Ray

Publication type:

Article

Potential risk resulting from the influence of static magnetic field upon living organisms. Numerically simulated effects of the static magnetic field upon model complex lipids.

Published in:

BioRisk: Biodiversity & Ecosystem Risk Assessment, 2023, n. 21, p. 1, doi. 10.3897/biorisk.19.96250

By:

Ciesielski, Wojciech;
Kołoczek, Henryk;
Oszczęda, Zdzisław;
Oszczęda, Wiktor;
Soroka, Jacek A.;
Tomasik, Piotr

Publication type:

Article

Potential risk resulting from the influence of static magnetic field upon living organisms. Numerically simulated effects of the static magnetic field upon simple alkanols.

Published in:

BioRisk: Biodiversity & Ecosystem Risk Assessment, 2022, n. 18, p. 35, doi. 10.3897/biorisk.18.76997

By:

Ciesielski, Wojciech;
Girek, Tomasz;
Oszczęda, Zdzisław;
Soroka, Jacek A.;
Tomasik, Piotr

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

d-f EXCHANGE INTERACTION INDUCED VALENCE TRANSITION IN MIXED-VALENCE SYSTEMS.

Published in:

Armenian Journal of Physics, 2012, v. 5, n. 2, p. 75

By:

Mukherjee, Piuli;
Bhowmick, S. K.;
Ghosh, N. K.

Publication type:

Article

Ac conductivity, electric modulus analysis, dielectric behavior and Bond Valence Sum analysis of Na3Nb4As3O19 compound.

Published in:

Arabian Journal of Chemistry, 2020, v. 13, n. 6, p. 5627, doi. 10.1016/j.arabjc.2020.04.003

By:

Chérif, Saïda Fatma;
Chérif, Amira;
Dridi, Wassim;
Zid, Mohamed Faouzi

Publication type:

Article

Crystal structure and phase transitions in R2TeO6 (R = La, Pr, Nd, Tb, Ho, Er, Tm, Lu) oxides: A neutron diffraction study.

Published in:

Arabian Journal of Chemistry, 2019, v. 12, n. 8, p. 4407, doi. 10.1016/j.arabjc.2016.06.010

By:

Bâati, E.;
Kabadou, A.;
Alonso, J.A.

Publication type:

Article

Correction to: The roles of charge transfer and polarization in non-covalent interactions: a perspective from ab initio valence bond methods.

Published in:

2022

By:

Mo, Yirong;
Danovich, David;
Shaik, Sason

Publication type:

Correction Notice

The roles of charge transfer and polarization in non-covalent interactions: a perspective from ab initio valence bond methods.

Published in:

Journal of Molecular Modeling, 2022, v. 28, n. 9, p. 1, doi. 10.1007/s00894-022-05187-8

By:

Mo, Yirong;
Danovich, David;
Shaik, Sason

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

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

Electrochemical quartz crystal microbalance study of magnesium porphine electropolymerization process.

Published in:

Journal of Solid State Electrochemistry, 2020, v. 24, n. 11/12, p. 3191, doi. 10.1007/s10008-020-04800-1

By:

Istakova, O. I.;
Konev, D. V.;
Goncharova, O. A.;
Antipov, A. E.;
Devillers, C. H.;
Vorotyntsev, M. A.

Publication type:

Article

A Cyclen-Functionalized Cobalt-Substituted Sandwich-Type Tungstoarsenate with Versatility in Removal of Methylene Blue and Anti-ROS-Sensitive Tumor Cells.

Published in:

Molecules, 2022, v. 27, n. 19, p. 6451, doi. 10.3390/molecules27196451

By:

Hua, Jiai;
Wei, Xueman;
Li, Yifeng;
Li, Lingzhi;
Zhang, Hui;
Wang, Feng;
Zhang, Changli;
Ma, Xiang

Publication type:

Article

Co 3 Gd 4 Cage as Magnetic Refrigerant and Co 3 Dy 3 Cage Showing Slow Relaxation of Magnetisation.

Published in:

Molecules, 2022, v. 27, n. 3, p. 1130, doi. 10.3390/molecules27031130

By:

Sheikh, Javeed Ahmad;
Jena, Himanshu Sekhar;
Konar, Sanjit

Publication type:

Article

On the Nature of the Bonding in Coinage Metal Halides.

Published in:

Molecules, 2022, v. 27, n. 2, p. 490, doi. 10.3390/molecules27020490

By:

Đorđević, Slađana;
Radenković, Slavko;
Shaik, Sason;
Braïda, Benoît

Publication type:

Article

ThermoSlope: A Software for Determining Thermodynamic Parameters from Single Steady-State Experiments.

Published in:

Molecules, 2021, v. 26, n. 23, p. 7155, doi. 10.3390/molecules26237155

By:

Lund, Bjarte Aarmo;
Brandsdal, Bjørn Olav

Publication type:

Article

A Critical Look at Linus Pauling's Influence on the Understanding of Chemical Bonding.

Published in:

Molecules, 2021, v. 26, n. 15, p. 4695, doi. 10.3390/molecules26154695

By:

Pan, Sudip;
Frenking, Gernot

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

Valence Bond Theory—Its Birth, Struggles with Molecular Orbital Theory, Its Present State and Future Prospects.

Published in:

Molecules, 2021, v. 26, n. 6, p. 1624, doi. 10.3390/molecules26061624

By:

Shaik, Sason;
Danovich, David;
Hiberty, Philippe C.;
Scheiner, Steve

Publication type:

Article

Ab Initio Dot Structures Beyond the Lewis Picture.

Published in:

Molecules, 2021, v. 26, n. 4, p. 911, doi. 10.3390/molecules26040911

By:

Heuer, Michael A.;
Reuter, Leonard;
Lüchow, Arne;
Pendás, Ángel Martín

Publication type:

Article

A Valence-Bond-Based Multiconfigurational Density Functional Theory: The λ-DFVB Method Revisited.

Published in:

Molecules, 2021, v. 26, n. 3, p. 521, doi. 10.3390/molecules26030521

By:

Zheng, Peikun;
Ji, Chenru;
Ying, Fuming;
Su, Peifeng;
Wu, Wei;
Gatti, Carlo;
Cooper, David L.;
Kohout, Miroslav;
Kuznetsov, Maxim L.

Publication type:

Article

Energetics of Electron Pairs in Electrophilic Aromatic Substitutions.

Published in:

Molecules, 2021, v. 26, n. 2, p. 513, doi. 10.3390/molecules26020513

By:

Munárriz, Julen;
Gallegos, Miguel;
Contreras-García, Julia;
Martín Pendás, Ángel;
Scheiner, Steve

Publication type:

Article

Metal–Metal Bond in the Light of Pauling's Rules.

Published in:

Molecules, 2021, v. 26, n. 2, p. 304, doi. 10.3390/molecules26020304

By:

Levi, Elena;
Aurbach, Doron;
Gatti, Carlo;
Alikhani, M. Esmail

Publication type:

Article

DFT Study into the Influence of Carbon Material on the Hydrophobicity of a Coal Pyrite Surface.

Published in:

Molecules, 2019, v. 24, n. 19, p. 3534, doi. 10.3390/molecules24193534

By:

Xi, Peng;
Wang, Donghui;
Liu, Wenli;
Shi, Changsheng

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