Works matching DE "VALENCE bonds"

Results: 207

Valence Bond Insights into the H-Abstraction Barrier in Cytochrome P450.

Published in:

Molecules, 2025, v. 30, n. 10, p. 2242, doi. 10.3390/molecules30102242

By:

Zhang, Enhua;
Hirao, Hajime

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

Comment on "The 'Inverted Bonds' Revisited. Analysis of 'in Silico' Models and of [1.1.1]Propellane Using Orbital Forces".

Published in:

Chemistry - A European Journal, 2020, v. 26, n. 30, p. 6935, doi. 10.1002/chem.201905666

By:

Braïda, Benoît;
Shaik, Sason;
Wu, Wei;
Hiberty, Philippe C.

Publication type:

Article

Front Cover: Two Push–Pull Channels Enhance the Dinitrogen Activation by Borylene Compounds (Chem. Eur. J. 12/2020).

Published in:

Chemistry - A European Journal, 2020, v. 26, n. 12, p. 2516, doi. 10.1002/chem.202000057

By:

Zhang, Huaiyu;
Yuan, Rui;
Wu, Wei;
Mo, Yirong

Publication type:

Article

Two Push–Pull Channels Enhance the Dinitrogen Activation by Borylene Compounds.

Published in:

Chemistry - A European Journal, 2020, v. 26, n. 12, p. 2619, doi. 10.1002/chem.201904724

By:

Zhang, Huaiyu;
Yuan, Rui;
Wu, Wei;
Mo, Yirong

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

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

原油中金刚烷同系物同分异构体丰度差异及影响机制 ——以塔里木盆地轮古地区为例.

Published in:

Natural Gas Geoscience, 2022, v. 33, n. 12, p. 2087, doi. 10.11764/j.issn.1672-1926.2022.07.012

By:

王瑞林;
王霆;
朱光有;
王萌;
张志遥;
文志刚

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

Ultra-low temperature sintering and microwave dielectric properties of mg-substituted SrCoV2O7 ceramics.

Published in:

Journal of Asian Ceramic Societies, 2022, v. 10, n. 1, p. 188, doi. 10.1080/21870764.2022.2031535

By:

Huang, Yu-Ting;
Huang, Ching-Cheng;
Hsu, Tsung-Hsien;
Huang, Cheng-Liang

Publication type:

Article

Structure, Raman spectra and microwave dielectric properties of novel garnet-type Ca3MZrGe3O12 (M = Co, Zn) ceramics.

Published in:

Journal of Asian Ceramic Societies, 2021, v. 9, n. 1, p. 424, doi. 10.1080/21870764.2021.1879364

By:

Su, Congxue;
Fang, Liang;
Ao, Laiyuan;
Chen, Junqi;
Sun, Chaozhong;
Yang, Aihong;
Tang, Ying;
Liu, Laijun

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

Mechanism for the Combined Li–Na Ionic Conductivity in Sugilite (Fe 2 Na 2 K[Li 3 Si 12 O 30 ])-Type Compounds.

Published in:

Minerals (2075-163X), 2023, v. 13, n. 5, p. 620, doi. 10.3390/min13050620

By:

Park, So-Hyun;
Paulmann, Carsten;
Hoelzel, Markus;
Hochleitner, Rupert

Publication type:

Article

Charge Distribution and Bond Valence Sum Analysis of Sulfosalts—The ECoN21 Computer Program.

Published in:

Minerals (2075-163X), 2022, v. 12, n. 8, p. 924, doi. 10.3390/min12080924

By:

Ilinca, Gheorghe

Publication type:

Article

Considerations About Bi and Pb in the Crystal Structure of Cu-Bearing Tourmaline.

Published in:

Minerals (2075-163X), 2020, v. 10, n. 8, p. 706, doi. 10.3390/min10080706

By:

Ertl, Andreas;
Bačík, Peter

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

Size- and temperature-dependent specific heat capacity and diffusion constants of ultra-small BaTaO2N nanoparticles.

Published in:

Applied Nanoscience, 2020, v. 10, n. 3, p. 767, doi. 10.1007/s13204-019-01146-7

By:

Kousika, A.;
D'Aguanno, Bruno;
Thomas, Tiju

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

Using SMILES strings for the description of chemical connectivity in the Crystallography Open Database.

Published in:

Journal of Cheminformatics, 2018, v. 10, n. 1, p. 1, doi. 10.1186/s13321-018-0279-6

By:

Quirós, Miguel;
Gražulis, Saulius;
Girdzijauskaitė, Saulė;
Merkys, Andrius;
Vaitkus, Antanas

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

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

Glimpses of Greatness: A Personal View of P W Anderson (1923–2020).

Published in:

Resonance: Journal of Science Education, 2020, v. 25, n. 5, p. 617, doi. 10.1007/s12045-020-0979-x

By:

Baskaran, G.

Publication type:

Article

Metal⋅⋅⋅F−C Bonding in Low‐Coordinate Alkaline Earth Fluoroarylamides.

Published in:

Chemistry - A European Journal, 2019, v. 25, n. 37, p. 8854, doi. 10.1002/chem.201901262

By:

Roueindeji, Hanieh;
Ratsifitahina, Antsa;
Roisnel, Thierry;
Dorcet, Vincent;
Kahlal, Samia;
Saillard, Jean‐Yves;
Carpentier, Jean‐François;
Sarazin, Yann

Publication type:

Article

Sulfur‐ and Selenium‐Containing Compounds Potentially Exhibiting Al Ion Conductivity.

Published in:

Chemistry - A European Journal, 2019, v. 25, n. 36, p. 8623, doi. 10.1002/chem.201901438

By:

Meutzner, Falk;
Zschornak, Matthias;
Kabanov, Artem A.;
Nestler, Tina;
Leisegang, Tilmann;
Blatov, Vladislav A.;
Meyer, Dirk C.

Publication type:

Article

Agostic Interactions in Early Transition‐Metal Complexes: Roles of Hyperconjugation, Dispersion, and Steric Effect.

Published in:

Chemistry - A European Journal, 2019, v. 25, n. 26, p. 6591, doi. 10.1002/chem.201900436

By:

Lin, Xuhui;
Wu, Wei;
Mo, Yirong

Publication type:

Article

A Direct Proof of the Resonance‐Impaired Hydrogen Bond (RIHB) Concept.

Published in:

Chemistry - A European Journal, 2018, v. 24, n. 5, p. 1053, doi. 10.1002/chem.201705424

By:

Lin, Xuhui;
Wu, Wei;
Mo, Yirong

Publication type:

Article

Halogen Bonds in Novel Polyhalogen Monoanions.

Published in:

Chemistry - A European Journal, 2017, v. 23, n. 36, p. 8719, doi. 10.1002/chem.201701116

By:

Wang, Changwei;
Danovich, David;
Shaik, Sason;
Mo, Yirong

Publication type:

Article

The Carbon-Nitrogen Bonds in Ammonium Compounds Are Charge Shift Bonds.

Published in:

Chemistry - A European Journal, 2017, v. 23, n. 19, p. 4659, doi. 10.1002/chem.201605987

By:

Gershoni ‐ Poranne, Renana;
Chen, Peter

Publication type:

Article

A Response to a Comment by G. Frenking and M. Hermann on: 'The Quadruple Bonding in C2 Reproduces the Properties of the Molecule'.

Published in:

Chemistry - A European Journal, 2016, v. 22, n. 52, p. 18977, doi. 10.1002/chem.201602840

By:

Shaik, Sason;
Danovich, David;
Braida, Benoit;
Hiberty, Philippe C.

Publication type:

Article

Comment on 'The Quadruple Bonding in C2 Reproduces the Properties of the Molecule'.

Published in:

Chemistry - A European Journal, 2016, v. 22, n. 52, p. 18975, doi. 10.1002/chem.201601382

By:

Frenking, Gernot;
Hermann, Markus

Publication type:

Article

The Quadruple Bonding in C2 Reproduces the Properties of the Molecule.

Published in:

Chemistry - A European Journal, 2016, v. 22, n. 12, p. 4116, doi. 10.1002/chem.201600011

By:

Shaik, Sason;
Danovich, David;
Braida, Benoit;
Hiberty, Philippe C.

Publication type:

Article

Comment on 'The Nature of the Fourth Bond in the Ground State of C2: The Quadruple Bond Conundrum'.

Published in:

Chemistry - A European Journal, 2015, v. 21, n. 47, p. 17126, doi. 10.1002/chem.201500130

By:

Grunenberg, Jörg

Publication type:

Article

Response to the Comment by J. Grunenberg on 'The Nature of the Fourth Bond in the Ground State of C2: The Quadruple Bond Conundrum′′.

Published in:

Chemistry - A European Journal, 2015, v. 21, n. 47, p. 17127, doi. 10.1002/chem.201503882

By:

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

Publication type:

Article

Valence Bond and Enzyme Catalysis: A Time To Break Down and a Time To Build Up.

Published in:

Chemistry - A European Journal, 2015, v. 21, n. 19, p. 7159, doi. 10.1002/chem.201406236

By:

Sharir ‐ Ivry, Avital;
Varatharaj, Rajapandian;
Shurki, Avital

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

REFERENCES.

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

X‐ray constrained spin‐coupled technique: theoretical details and further assessment of the method.

Published in:

Acta Crystallographica. Section A, Foundations & Advances, 2019, v. 75, n. 6, p. 778, doi. 10.1107/S2053273319011021

By:

Genoni, Alessandro;
Macetti, Giovanni;
Franchini, Davide;
Pieraccini, Stefano;
Sironi, Maurizio

Publication type:

Article

Structure property correlation in lithium borophosphate glasses.

Published in:

European Physical Journal E -- Soft Matter, 2012, v. 35, n. 1, p. 1, doi. 10.1140/epje/i2012-12008-y

By:

Tho, T.;
Prasada Rao, R.;
Adams, S.

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

Comprehensive Dopant Screening in Li7La3Zr2O12 Garnet Solid Electrolyte.

Published in:

Advanced Energy Materials, 2024, v. 14, n. 20, p. 1, doi. 10.1002/aenm.202304025

By:

Anderson, Ethan;
Zolfaghar, Elliot;
Jonderian, Antranik;
Khaliullin, Rustam Z.;
McCalla, Eric

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