Works matching DE "VALENCE bonds"

Results: 210

EEG study on affective valence elicited by novel and familiar pictures using ERD/ERS and SVM-RFE.

Published in:

Medical & Biological Engineering & Computing, 2014, v. 52, n. 2, p. 149, doi. 10.1007/s11517-013-1126-6

By:

Hidalgo-Muñoz, A.;
López, M.;
Galvao-Carmona, A.;
Pereira, A.;
Santos, I.;
Vázquez-Marrufo, M.;
Tomé, A.

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

Alluaudite-Like Phases in the Na2MoO4–Cs2MoO4–NiMoO4 System.

Published in:

Journal of Structural Chemistry, 2023, v. 64, n. 8, p. 1542, doi. 10.1134/S0022476623080188

By:

Yudin, V. N.;
Solodovnikov, S. F.;
Zolotova, E. S.;
Solodovnikova, Z. A.;
Saranchina, E. M.

Publication type:

Article

PARAMETRIZATION OF THE TORSION POTENTIAL IN ALL-ATOM MODELS OF HYDROCARBON MOLECULES USING A SIMPLIFIED EXPRESSION FOR THE DEFORMATION ENERGY OF VALENCE BONDS AND ANGLES.

Published in:

Journal of Structural Chemistry, 2021, v. 62, n. 11, p. 1653, doi. 10.1134/S0022476621110019

By:

Teplukhin, A. V.

Publication type:

Article

Molecular and Crystal Structure of (1S,2R)-1-{2-[(1S)-1-(Dimethylamino)Ethyl]Phenyl}-1,2-Diphenylethane-1,2-Diol.

Published in:

Journal of Structural Chemistry, 2019, v. 60, n. 4, p. 654, doi. 10.1134/S0022476619040176

By:

Demyanovich, V. M.;
Shishkina, I. N.;
Potekhin, K. A.;
Maleev, A. V.;
Gevorgyan, A. A.

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

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

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

Valence Band of Ce2Co0.8Si3.2 and Ce2RhSi3 Studied by Resonant Photoemission Spectroscopy and FPLO Calculations.

Published in:

Acta Physica Polonica: A, 2014, v. 126, n. 4a, p. A-144, doi. 10.12693/APhysPolA.126.A-144

By:

STAROWICZ, P.;
KITRLETO, R.;
GORAUS, J.;
WALCZAK, Ł.;
PENC, B.;
ADELL, J.;
SZLAWSKA, M.;
KACZOROWSKI, D.;
SZYTUŁA, A.

Publication type:

Article

Adhesion at friction and wear.

Published in:

Friction (2223-7704), 2022, v. 10, n. 11, p. 1859, doi. 10.1007/s40544-021-0564-7

By:

Markov, Dmitry P.

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

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

Accelerated Design of Battery Materials Interfaces by Embedded‐Atom‐Inspired Bond Valence Sum Forcefields.

Published in:

Physica Status Solidi. A: Applications & Materials Science, 2021, v. 218, n. 19, p. 1, doi. 10.1002/pssa.202100318

By:

Pu, Yuhan;
Dai, Ruoyu;
Adams, Stefan

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

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

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-throughput search for new solid-state sodium-conducting materials among polyanionic oxides.

Published in:

Journal of Solid State Electrochemistry, 2024, v. 28, n. 10, p. 3665, doi. 10.1007/s10008-024-05965-9

By:

Morkhova, Yelizaveta A.;
Antonyuk, Alexander V.;
Naugolnova, Irina A.

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

The McClure and Weiss models of Fe-O bonding for oxyhemes, and the HbO + NO reaction.

Published in:

Journal of Biological Inorganic Chemistry (JBIC), 2014, v. 19, n. 1, p. 113, doi. 10.1007/s00775-013-1066-5

By:

Harcourt, Richard

Publication type:

Article

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

The Electronic Structure and Bonding in Some Small Molecules.

Published in:

Molecules, 2025, v. 30, n. 5, p. 1154, doi. 10.3390/molecules30051154

By:

Bacskay, George B.

Publication type:

Article

Bond Valence Sum Parameters for Analyzing Pyranopterin Tungsten Enzyme Structures.

Published in:

Molecules, 2025, v. 30, n. 4, p. 871, doi. 10.3390/molecules30040871

By:

Lepluart, Jesse;
Kirk, Martin L.

Publication type:

Article

A Density Functional Valence Bond Study on the Excited States.

Published in:

Molecules, 2025, v. 30, n. 3, p. 489, doi. 10.3390/molecules30030489

By:

Wu, Xun;
Zheng, Peikun;
Chen, Tingzhen;
Zhou, Chen;
Su, Peifeng;
Wu, Wei

Publication type:

Article

Covalent vs. Dative Bonding in Carbon Monoxide and Other 10-Valence-Electron Diatomics.

Published in:

Molecules, 2024, v. 29, n. 22, p. 5396, doi. 10.3390/molecules29225396

By:

Rizwan, Khadija;
Galbraith, John Morrison

Publication type:

Article

Synergistic Charge Transfer Effect in Ferrous Heme–CO Bonding within Cytochrome P450.

Published in:

Molecules, 2024, v. 29, n. 4, p. 873, doi. 10.3390/molecules29040873

By:

Zhang, Enhua;
Hirao, Hajime

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

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

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

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

Photoluminescence of monovalent indium centres in phosphate glass.

Published in:

Scientific Reports, 2015, p. 13646, doi. 10.1038/srep13646

By:

Masai, Hirokazu;
Yamada, Yasuhiro;
Okumura, Shun;
Yanagida, Takayuki;
Fujimoto, Yutaka;
Kanemitsu, Yoshihiko;
Ina, Toshiaki

Publication type:

Article

Flexible High-Performance and Screen-Printed Symmetric Supercapacitor Using Hierarchical Rodlike V 3 O 7 Inks.

Published in:

Nanomaterials (2079-4991), 2023, v. 13, n. 16, p. 2282, doi. 10.3390/nano13162282

By:

Lin, Baoying;
Zheng, Yinyin;
Wang, Jinglu;
Tu, Qian;
Tang, Wentao;
Chen, Liangzhe

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

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

Enhanced dielectric properties of Mg4Nb2O9 ceramic by Ti substitution.

Published in:

Journal of Materials Science: Materials in Electronics, 2024, v. 35, n. 36, p. 1, doi. 10.1007/s10854-024-14047-5

By:

Wang, Zheng;
Ma, Juncheng;
Xiong, Zhe;
Yang, Hongyu;
Zhang, Xing;
Tang, Bin

Publication type:

Article