Works matching Chemical bond lengths

Results: 1243

Chemical Speciation and Bond Lengths of Organic Solutes by Core-Level Spectroscopy: pH and Solvent Influence on p-Aminobenzoic Acid.

Published in:

Chemistry - A European Journal, 2015, v. 21, n. 19, p. 7256, doi. 10.1002/chem.201405635

By:

Stevens, Joanna S.;
Gainar, Adrian;
Suljoti, Edlira;
Xiao, Jie;
Golnak, Ronny;
Aziz, Emad F.;
Schroeder, Sven L. M.

Publication type:

Article

A Novel Strategy for Comprehensive Estimation of Lattice Energy, Bulk Modulus, Chemical Hardness and Electronic Polarizability of A N B 8-N Binary Inorganic Crystals.

Published in:

Crystals (2073-4352), 2023, v. 13, n. 4, p. 668, doi. 10.3390/cryst13040668

By:

Zhao, Xinyu;
Wang, Xiaoli

Publication type:

Article

A Series of Diamagnetic Pyridine Monoimine Rhenium Complexes with Different Degrees of Metal-to-Ligand Charge Transfer: Correlating 13C NMR Chemical Shifts with Bond Lengths in Redox-Active Ligands.

Published in:

Chemistry - A European Journal, 2016, v. 22, n. 30, p. 10638, doi. 10.1002/chem.201600679

By:

Sieh, Daniel;
Kubiak, Clifford P.

Publication type:

Article

The Second Protonation in the Bio-Catalytic Cycles of the Enzymes Cytochrome P450 and Superoxide Reductase.

Published in:

Reactions (2624-781X), 2024, v. 5, n. 4, p. 778, doi. 10.3390/reactions5040039

By:

Spataru, Tudor;
Dascalu, Lisa Maria;
Moraru, Andreea;
Moraru, Mariana

Publication type:

Article

How 5 f Electron Polarisability Drives Covalency and Selectivity in Actinide N‐Donor Complexes.

Published in:

Chemistry - A European Journal, 2021, v. 27, n. 72, p. 18058, doi. 10.1002/chem.202102849

By:

Köhler, Luisa;
Patzschke, Michael;
Schmidt, Moritz;
Stumpf, Thorsten;
März, Juliane

Publication type:

Article

Effect of Mg(II) and Na(I) Doping on the Electronic Structure and Mechanical Properties of Kaolinite.

Published in:

Minerals (2075-163X), 2020, v. 10, n. 4, p. 368, doi. 10.3390/min10040368

By:

Zhao, Jian;
Qin, Xinzhan;
Wang, Jiamin;
He, Manchao

Publication type:

Article

Bond Length Alternation Observed Experimentally: The Case of 1H‐Indazole.

Published in:

Chemistry - A European Journal, 2019, v. 25, n. 43, p. 10172, doi. 10.1002/chem.201901666

By:

Uriarte, Iciar;
Reviriego, Felipe;
Calabrese, Camilla;
Elguero, José;
Kisiel, Zbigniew;
Alkorta, Ibon;
Cocinero, Emilio J.

Publication type:

Article

First-Principles Study on Graphene/Mg 2 Si Interface of Selective Laser Melting Graphene/Aluminum Matrix Composites.

Published in:

Metals (2075-4701), 2021, v. 11, n. 6, p. 941, doi. 10.3390/met11060941

By:

Zhao, Zhanyong;
Chang, Shijie;
Wang, Jie;
Bai, Peikang;
Du, Wenbo;
Zhao, Wenjie

Publication type:

Article

Structural and Optical Properties of ZnO:Al Thin Films Produced by Magnetron Sputtering with Different Oxygen Flow: An Experimental and Ab Initio Study.

Published in:

Physica Status Solidi. A: Applications & Materials Science, 2020, v. 217, n. 19, p. 1, doi. 10.1002/pssa.202000167

By:

Queiroz, José César Augusto de;
Filho, João Batista de Azevedo;
Feitor, Michelle Cerqueira;
Libório, Maxwell Santana;
Santos, Edson José da Costa;
Souto, Ulisses Borges;
de Sousa, Rômulo Ribeiro Magalhães;
Costa, Thércio Henrique de Carvalho

Publication type:

Article

Theoretical study of the catalytic effect of TM-C4H4 and TM-C5H5 (TM = Cr, Ti, V, Sc) on the activation of O2 at the cathode and CH3OH at the anode in "CH3OH-O2″ fuel cell via DFT computational method.

Published in:

Arabian Journal of Chemistry, 2021, v. 14, n. 4, p. N.PAG, doi. 10.1016/j.arabjc.2021.103062

By:

Nasim Rahnama, Seyedeh;
Aghaie, Mehran;
Noei, Maziar;
Aghaie, Hossein

Publication type:

Article

Molecular theory considering nuclear potential wells.

Published in:

Journal of Molecular Modeling, 2021, v. 27, n. 6, p. 1, doi. 10.1007/s00894-021-04804-2

By:

Zadeh, Dariush Habibollah

Publication type:

Article

Whole-exome sequencing expands the roles of novel mutations of organic anion transporting polypeptide, ATP-binding cassette transporter, and receptor genes in intrahepatic cholestasis of pregnancy.

Published in:

Frontiers in Genetics, 2022, v. 13, p. 1, doi. 10.3389/fgene.2022.941027

By:

Xianxian Liu;
Jiusheng Zheng;
Siming Xin;
Yang Zeng;
Xiaoying Wu;
Xiaoming Zeng;
Hua Lai;
Yang Zou

Publication type:

Article

POLYHEDRONS ARE VERY DIFFERENT IN PROPERTIES FROM THE BODIES OF ARCHIMEDES AND THEIR HIGH-DIMENSIONAL ANALOGS.

Published in:

Journal of Nature Science & Sustainable Technology, 2021, v. 15, n. 3, p. 97

By:

Zhizhin, Gennadiy Vladimirovich

Publication type:

Article

Structural Manifestations of the Polarizability Effect in 1-Halogensilatranes According to the Dipole-Induced Dipole Mechanism.

Published in:

Journal of Structural Chemistry, 2019, v. 60, n. 6, p. 932, doi. 10.1134/S0022476619060076

By:

Tandura, S. N.;
Belyaeva, V. V.;
Baryshok, V. P.;
Gostevsky, B. A.;
Smirnov, V. I.

Publication type:

Article

The nonlinear optical properties of AlPc-Cl organic compound using DFT and TD-DFT analysis, as well as filter optical-electrical properties.

Published in:

Journal of Nonlinear Optical Physics & Materials, 2023, v. 32, n. 4, p. 1, doi. 10.1142/S0218863523500352

By:

Benhaliliba, M.;
Ahmed, A. Ben;
Ayeshamariam, A.

Publication type:

Article

Associations between ALDOB polymorphisms and intrahepatic cholestasis of pregnancy susceptibility in the Chinese Han population.

Published in:

Ginekologia Polska, 2024, v. 95, n. 3, p. 132, doi. 10.5603/gpl.92931

By:

Xianxian Liu;
Siming Xin;
Jiusheng Zheng;
Huai Liu;
Yang Zeng;
Xiaoying Wu;
Feng Zhang;
Xiaoming Zeng;
Yang Zou;
Hua Lai

Publication type:

Article

Associations between ALDOB polymorphisms and intrahepatic cholestasis of pregnancy susceptibility in the Chinese Han population.

Published in:

Ginekologia Polska, 2024, v. 95, n. 2, p. 132, doi. 10.5603/gpl.92931

By:

Xianxian Liu;
Siming Xin;
Jiusheng Zheng;
Huai Liu;
Yang Zeng;
Xiaoying Wu;
Feng Zhang;
Xiaoming Zeng;
Yang Zou;
Hua Lai

Publication type:

Article

Statistical Distributions of Physical Characteristics of Molecules with Casimir Force in the Transfer of Admixtures in Nanoscale Volumes.

Published in:

Journal of Applied Mathematics, 2019, p. 1, doi. 10.1155/2019/7915780

By:

Uvarova, Liudmila;
Babarin, Sergey

Publication type:

Article

Self‐Expanding Ion‐Transport Channels on Anodes for Fast‐Charging Lithium‐Ion Batteries.

Published in:

Angewandte Chemie, 2022, v. 134, n. 7, p. 1, doi. 10.1002/ange.202113313

By:

An, Juan;
Zhang, Hongyu;
Qi, Lu;
Li, Guoxing;
Li, Yuliang

Publication type:

Article

Quantum-Chemical Prediction of Molecular and Electronic Structure of Carbon-Nitrogen Chemical Compound with Unusual Ratio Atoms: C(N 20).

Published in:

International Journal of Molecular Sciences, 2023, v. 24, n. 6, p. 5172, doi. 10.3390/ijms24065172

By:

Mikhailov, Oleg V.;
Chachkov, Denis V.

Publication type:

Article

First‐Principles Calculations of Pressure Effects on the Structural, Electronic, Elastic, and Thermodynamic Properties of Rb2MF6 (M = Si, Ni, Pd) Crystals.

Published in:

Physica Status Solidi (B), 2022, v. 259, n. 6, p. 1, doi. 10.1002/pssb.202100607

By:

Brik, Mikhail G.;
Piasecki, Michal;
Avram, Nicolae M.

Publication type:

Article

Liquid Structure of Iron and Iron–Nitrogen–Carbon Alloys Within the Cores of Small Terrestrial Bodies.

Published in:

Journal of Geophysical Research. Planets, 2025, v. 130, n. 1, p. 1, doi. 10.1029/2024JE008599

By:

Pease, Allison;
Liu, Jiachao;
Lv, Mingda;
Piper, Jack;
Kono, Yoshio;
Dorfman, Susannah M.

Publication type:

Article

Inside Front Cover: Optimizing the Selectivity of CH4 Electrosynthesis from CO2 over Cuprates through Cu─O Bond Length Descriptor (Angew. Chem. 24/2025).

Published in:

Angewandte Chemie, 2025, v. 137, n. 24, p. 1, doi. 10.1002/ange.202510022

By:

Xu, Yunze;
Zhang, Yu;
Zhao, Hongyan;
Shi, Lei;
Zhang, Zhenbao;
Li, Xueyan;
Xue, Zhen;
Jiang, Heqing;
Zhu, Yongfa;
Zhu, Jiawei

Publication type:

Article

Optimizing the Selectivity of CH4 Electrosynthesis from CO2 Over Cuprates Through Cu─O Bond Length Descriptor.

Published in:

Angewandte Chemie, 2025, v. 137, n. 24, p. 1, doi. 10.1002/ange.202503745

By:

Xu, Yunze;
Zhang, Yu;
Zhao, Hongyan;
Shi, Lei;
Zhang, Zhenbao;
Li, Xueyan;
Xue, Zhen;
Jiang, Heqing;
Zhu, Yongfa;
Zhu, Jiawei

Publication type:

Article

Structural and Digestibility of Different Crystalline Starches Modified by Glycogen Branching Enzyme.

Published in:

Journal of Chinese Institute of Food Science & Technology / Zhongguo Shipin Xuebao, 2025, v. 25, n. 3, p. 12, doi. 10.16429/j.1009-7848.2025.03.002

By:

LIAO Haichao;
LONG Jie;
GAO Yi;
CHEN Long;
QIU Chao;
JIN Zhengyu

Publication type:

Article

Single and double electron detachment absolute cross sections of H− and D− in collisions with diatomic and triatomic gases.

Published in:

Canadian Journal of Physics, 2025, v. 103, n. 6, p. 543, doi. 10.1139/cjp-2024-0180

By:

Wang, Siming;
Cui, Mingshuai;
Du, Yuquan;
Su, Xin;
Yang, Yifei;
Zhang, Xuemei

Publication type:

Article

Sm 3+ -Doped Bismuth(III) Oxosilicate (Bi 4 Si 3 O 12 :Sm 3+): A Study of Crystal Structure and Mulliken Charges.

Published in:

Crystals (2073-4352), 2025, v. 15, n. 5, p. 423, doi. 10.3390/cryst15050423

By:

Zhang, Yan;
Xiao, Xuefeng;
Huang, Yan;
Si, Jiashun;
Liang, Shuaijie;
Xu, Qingyan;
Zhang, Huan;
Ma, Lingling;
Yang, Cui;
Ma, Tianyong;
Zhang, Xuefeng;
Xu, Jiayue;
Tian, Tian;
Shen, Hui

Publication type:

Article

Influence of the First Cation A of A2SiF6:Mn4+ (A = K, Rb, Cs) Phosphors on Their Geometric Structures and the Optical Transition Energies: First-Principles Analysis.

Published in:

Journal of Electronic Materials, 2025, v. 54, n. 2, p. 962, doi. 10.1007/s11664-024-11617-5

By:

Kurboniyon, Mekhrdod S.;
Nurulkhakov, Shamsulkhak;
Lou, Bibo;
Rahmonov, Khaiyom;
Srivastava, Alok M.;
Brik, Mikhail G.;
Yamamoto, Tomoyuki;
Ma, Chong-Geng

Publication type:

Article

Full Electronic Band Structure Characterization of Al-Doped ZnO Nanocrystalline Films Through Simulation.

Published in:

Journal of Electronic Materials, 2024, v. 53, n. 10, p. 5885, doi. 10.1007/s11664-024-11331-2

By:

Saxena, Praveen Kumar;
Srivastava, Anshika

Publication type:

Article

Electronic Effects in Phosphino‐Iminophosphorane PdII Complexes upon Varying the N Substituent.

Published in:

Chemistry - A European Journal, 2024, v. 30, n. 5, p. 1, doi. 10.1002/chem.202303350

By:

Popovici, Ingrid;
Lognon, Elise;
Casaretto, Nicolas;
Monari, Antonio;
Auffrant, Audrey

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

Synthesis and Reactivity of Hetero‐Pnictogen Diazonium Analogs Stabilized by Transition Metal Units.

Published in:

Chemistry - A European Journal, 2023, v. 29, n. 61, p. 1, doi. 10.1002/chem.202301974

By:

Zimmermann, Lisa;
Riesinger, Christoph;
Balázs, Gábor;
Scheer, Manfred

Publication type:

Article

Mixed‐Valence Tetrametallic Iridium Chains.

Published in:

Chemistry - A European Journal, 2023, v. 29, n. 52, p. 1, doi. 10.1002/chem.202301438

By:

Pilar del Río, M.;
Villarroya, B. Eva;
López, José A.;
Geer, Ana M.;
Lahoz, Fernando J.;
Ciriano, Miguel A.;
Tejel, Cristina

Publication type:

Article

Reactivity of [AuF3(SIMes)]: Pathway to Unprecedented Structural Motifs.

Published in:

Chemistry - A European Journal, 2023, v. 29, n. 51, p. 1, doi. 10.1002/chem.202301684

By:

Winter, Marlon;
Ellwanger, Mathias A.;
Limberg, Niklas;
Pérez‐Bitrián, Alberto;
Voßnacker, Patrick;
Steinhauer, Simon;
Riedel, Sebastian

Publication type:

Article

Infrared Spectroscopic and Theoretical Investigations of Group 13 Oxyfluorides OMF2 and OMF (M=B, Al, Ga, In).

Published in:

Chemistry - A European Journal, 2023, v. 29, n. 49, p. 1, doi. 10.1002/chem.202301676

By:

Wen, Mei;
Medel, Robert;
Deng, Guohai;
Tsegaw, Yetsedaw A.;
Lu, Yan;
Riedel, Sebastian

Publication type:

Article

A Playground for Heavy Atom Tunnelling: Neutral Substitutional Defect Rearrangement from Diamondoids to Diamonds.

Published in:

Chemistry - A European Journal, 2023, v. 29, n. 36, p. 1, doi. 10.1002/chem.202300673

By:

Sedgi, Itzhak;
Kozuch, Sebastian

Publication type:

Article

Reversing the Bond Length Alternation Order in Conjugated Polyenes by Substituent Effects.

Published in:

Chemistry - A European Journal, 2023, v. 29, n. 15, p. 1, doi. 10.1002/chem.202203538

By:

Yanai, Hikaru;
Terajima, Yoshihiko;
Kleemiss, Florian;
Grabowsky, Simon;
Matsumoto, Takashi

Publication type:

Article

SMM Behaviour of the Butterfly {CrIII2DyIII2} Pivalate Complex and Magneto‐structurally Correlated Relaxation Thermal Barrier.

Published in:

Chemistry - A European Journal, 2022, v. 28, n. 59, p. 1, doi. 10.1002/chem.202201450

By:

Mecchia Ortiz, Juan H.;
Cabrosi, Daiana;
Carrella, Luca M.;
Rentschler, Eva;
Alborés, Pablo

Publication type:

Article

Double‐σ‐Bonded Close‐Shell Dimers and Peroxy‐Linked Open‐Shell Dimer Derived from a C3 Symmetric Trioxophenalenyl Neutral Diradical.

Published in:

Chemistry - A European Journal, 2022, v. 28, n. 52, p. 1, doi. 10.1002/chem.202201426

By:

Murata, Tsuyoshi;
Yoshida, Kenta;
Suzuki, Shuichi;
Ueda, Akira;
Nishida, Shinsuke;
Kawai, Junya;
Fukui, Kozo;
Sato, Kazunobu;
Takui, Takeji;
Nakasuji, Kazuhiro;
Morita, Yasushi

Publication type:

Article

Front Cover: Relativistic Spin–Orbit Electronegativity and the Chemical Bond Between a Heavy Atom and a Light Atom (Chem. Eur. J. 24/2022).

Published in:

Chemistry - A European Journal, 2022, v. 28, n. 24, p. 1, doi. 10.1002/chem.202200965

By:

Cuyacot, Ben Joseph R.;
Novotný, Jan;
Berger, Raphael J. F.;
Komorovsky, Stanislav;
Marek, Radek

Publication type:

Article

Noble‐Gas Difluoride Complexes of MOF4 (M=Mo, W); Syntheses, Structures and Bonding of NgF2 ⋅ MOF4 and XeF2 ⋅ 2MOF4 (Ng=Kr, Xe).

Published in:

Chemistry - A European Journal, 2022, v. 28, n. 15, p. 1, doi. 10.1002/chem.202103729

By:

Bortolus, Mark R.;
Mercier, Hélène P. A.;
Brock, David S.;
Schrobilgen, Gary J.

Publication type:

Article

Versatile Para‐Substituted Pyridine Lanthanide Coordination Complexes Allow Late Stage Tailoring of Complex Function.

Published in:

Chemistry - A European Journal, 2021, v. 27, n. 71, p. 17921, doi. 10.1002/chem.202103243

By:

Starck, Matthieu;
Fradgley, Jack D.;
De Rosa, Davide F.;
Batsanov, Andrei S.;
Papa, Maria;
Taylor, Michael J.;
Lovett, Janet E.;
Lutter, Jacob C.;
Allen, Matthew J.;
Parker, David

Publication type:

Article

Iodine(I) and Silver(I) Complexes of Benzoimidazole and Pyridylcarbazole Derivatives.

Published in:

Chemistry - A European Journal, 2021, v. 27, n. 69, p. 17412, doi. 10.1002/chem.202103152

By:

Taipale, Essi;
Siepmann, Marcel;
Truong, Khai‐Nghi;
Rissanen, Kari

Publication type:

Article

Jahn‐Teller Effects in a Vanadate‐Stabilized Manganese‐Oxo Cubane Water Oxidation Catalyst.

Published in:

Chemistry - A European Journal, 2021, v. 27, n. 68, p. 17066, doi. 10.1002/chem.202102539

By:

Mai, Sebastian;
Holzer, Marcus;
Andreeva, Anastasia;
González, Leticia

Publication type:

Article

The Chemical Bond: When Atom Size Instead of Electronegativity Difference Determines Trend in Bond Strength.

Published in:

Chemistry - A European Journal, 2021, v. 27, n. 63, p. 15616, doi. 10.1002/chem.202103544

By:

Blokker, Eva;
Sun, Xiaobo;
Poater, Jordi;
van der Schuur, J. Martijn;
Hamlin, Trevor A.;
Bickelhaupt, F. Matthias

Publication type:

Article

New Ideas for Understanding the Structure and Magnetism in AgF2: Prediction of Ferroelasticity.

Published in:

Chemistry - A European Journal, 2021, v. 27, n. 54, p. 13582, doi. 10.1002/chem.202101865

By:

Sánchez‐Movellán, Inés;
Moreno‐Ceballos, Jorge;
García‐Fernández, Pablo;
Aramburu, Jose Antonio;
Moreno, Miguel

Publication type:

Article

Structure and Reactivity of N‐Heterocyclic Alkynyl Hypervalent Iodine Reagents.

Published in:

Chemistry - A European Journal, 2021, v. 27, n. 42, p. 10979, doi. 10.1002/chem.202101475

By:

Le Du, Eliott;
Duhail, Thibaut;
Wodrich, Matthew D.;
Scopelliti, Rosario;
Fadaei‐Tirani, Farzaneh;
Anselmi, Elsa;
Magnier, Emmanuel;
Waser, Jerome

Publication type:

Article

Trends in Conjugated Chalcogenophenes: A Theoretical Study.

Published in:

Chemistry - A European Journal, 2021, v. 27, n. 35, p. 9038, doi. 10.1002/chem.202100270

By:

Topolskaia, Valentina;
Pollit, Adam A.;
Cheng, Susan;
Seferos, Dwight S.

Publication type:

Article

Cover Feature: Not Carbon s–p Hybridization, but Coordination Number Determines C−H and C−C Bond Length (Chem. Eur. J. 24/2021).

Published in:

Chemistry - A European Journal, 2021, v. 27, n. 24, p. 6997, doi. 10.1002/chem.202100494

By:

Vermeeren, Pascal;
Zeist, Willem‐Jan;
Hamlin, Trevor A.;
Fonseca Guerra, Célia;
Bickelhaupt, F. Matthias

Publication type:

Article

Not Carbon s–p Hybridization, but Coordination Number Determines C−H and C−C Bond Length.

Published in:

Chemistry - A European Journal, 2021, v. 27, n. 24, p. 7074, doi. 10.1002/chem.202004653

By:

Vermeeren, Pascal;
Zeist, Willem‐Jan;
Hamlin, Trevor A.;
Fonseca Guerra, Célia;
Bickelhaupt, F. Matthias

Publication type:

Article