Works matching Electronegativity

Results: 2272

The electronegativity scale of Allred and Rochow: revisited.

Published in:

Theoretical Chemistry Accounts: Theory, Computation, & Modeling, 2009, v. 124, n. 3/4, p. 295, doi. 10.1007/s00214-009-0610-4

By:

Ghosh, Dulal Chandra;
Chakraborty, Tanmoy;
Mandal, Bhabatosh

Publication type:

Article

Theorems and rules connecting bond energy and bond order with electronegativity equalization and hardness maximization.

Published in:

Theoretical Chemistry Accounts: Theory, Computation, & Modeling, 2020, v. 139, n. 3, p. 1, doi. 10.1007/s00214-020-2569-0

By:

von Szentpály, László

Publication type:

Article

Computation of atomic electronegativity values using atomic and covalent potential: a FSGO based study.

Published in:

Journal of Mathematical Chemistry, 2022, v. 60, n. 8, p. 1505, doi. 10.1007/s10910-022-01376-1

By:

Saloni;
Kumari, Dimple;
Tandon, Hiteshi;
Labarca, Martín;
Chakraborty, Tanmoy

Publication type:

Article

Combined LDL and VLDL Electronegativity Correlates with Coronary Heart Disease Risk in Asymptomatic Individuals.

Published in:

Journal of Clinical Medicine, 2019, v. 8, n. 8, p. 1193, doi. 10.3390/jcm8081193

By:

Shen, Ming-Yi;
Hsu, Jing-Fang;
Chen, Fang-Yu;
Lu, Jonathan;
Chang, Chia-Ming;
Madjid, Mohammad;
Dean, Juliette;
Dixon, Richard A. F.;
Shayani, Steven;
Chou, Tzu-Chieh;
Chen, Chu-Huang

Publication type:

Article

Enhancement of bromide ion conductivity in lanthanum oxybromide based solids by doping divalent zinc ion with high electronegativity.

Published in:

Journal of Asian Ceramic Societies, 2020, v. 8, n. 3, p. 925, doi. 10.1080/21870764.2020.1793877

By:

Misran, Muhammad Radzi Iqbal Bin;
Nunotani, Naoyoshi;
Tamura, Shinji;
Imanaka, Nobuhito

Publication type:

Article

Inductive effect of uncharged groups: dependence on electronegativity.

Published in:

Journal of Physical Organic Chemistry, 2006, v. 19, n. 7, p. 393, doi. 10.1002/poc.1093

By:

Exner, Otto;
Böhm, Stanislav

Publication type:

Article

Electronegativity Induced d‐Band Center Offset for Pt‐Rh Dual Sites in High‐Entropy Alloy Boosts Liquid Fuels Electrooxidation.

Published in:

Advanced Energy Materials, 2024, v. 14, n. 20, p. 1, doi. 10.1002/aenm.202304515

By:

Lv, Yipin;
Lin, Liangliang;
Xue, Ruixin;
Zhang, Pengfang;
Ma, Fengya;
Gan, Tao;
Zhang, Jiawei;
Gao, Daowei;
Zheng, Xiaobo;
Wang, Ligang;
Qin, Yuchen;
Zhao, Hui;
Dong, Yuming;
Wang, Yao;
Zhu, Yongfa

Publication type:

Article

Interatomic Electronegativity Offset Dictates Selectivity When Catalyzing the CO2 Reduction Reaction.

Published in:

Advanced Energy Materials, 2022, v. 12, n. 26, p. 1, doi. 10.1002/aenm.202200579

By:

Hao, Jican;
Zhuang, Zechao;
Hao, Jiace;
Wang, Chan;
Lu, Shuanglong;
Duan, Fang;
Xu, Fangping;
Du, Mingliang;
Zhu, Han

Publication type:

Article

Electronegativity—a perspective.

Published in:

Journal of Molecular Modeling, 2018, v. 24, n. 8, p. 1, doi. 10.1007/s00894-018-3740-6

By:

Politzer, Peter;
Murray, Jane S.

Publication type:

Article

Electronegativity provides the relationship between formal charge, oxidation state, and actual charge.

Published in:

Foundations of Chemistry, 2023, v. 25, n. 1, p. 5, doi. 10.1007/s10698-022-09447-6

By:

Viswanathan, Balakrishnan;
Gulam Razul, M. Shajahan

Publication type:

Article

A scale of atomic electronegativity in terms of atomic nucleophilicity index.

Published in:

Foundations of Chemistry, 2020, v. 22, n. 2, p. 335, doi. 10.1007/s10698-020-09358-4

By:

Tandon, Hiteshi;
Chakraborty, Tanmoy;
Suhag, Vandana

Publication type:

Article

Electronegativity and its multiple faces: persistence and measurement.

Published in:

Foundations of Chemistry, 2017, v. 19, n. 1, p. 61, doi. 10.1007/s10698-017-9278-3

By:

Ruthenberg, Klaus;
González, Juan

Publication type:

Article

Concerning electronegativity as a basic elemental property and why the periodic table is usually represented in its medium form.

Published in:

Foundations of Chemistry, 2013, v. 15, n. 1, p. 13, doi. 10.1007/s10698-012-9151-3

By:

Leach, Mark

Publication type:

Article

On the electronegativity nonlocality paradox.

Published in:

Theoretical Chemistry Accounts: Theory, Computation, & Modeling, 2007, v. 118, n. 2, p. 371, doi. 10.1007/s00214-007-0277-7

By:

Ayers, Paul W.

Publication type:

Article

Theoretical investigation into the deciphering effects of atomic electronegativity on 2‐hydroxy‐phenyl‐tafamidis: A time‐dependent density functional theory study.

Published in:

Journal of the Chinese Chemical Society, 2022, v. 69, n. 9, p. 1578, doi. 10.1002/jccs.202200255

By:

Zhang, Xiaoyu;
Yuan, Hengyi;
Li, Yi

Publication type:

Article

Electronegativity and magnetic correlation in Cr-, Mn-, Co- and Ni-doped LiMgP half-Heusler as promised ferromagnetism material: A DFT study.

Published in:

International Journal of Modern Physics B: Condensed Matter Physics; Statistical Physics; Applied Physics, 2023, v. 37, n. 23, p. 1, doi. 10.1142/S0217979223502260

By:

Ziat, Younes;
Zarhri, Zakaryaa;
Lakhal, Yassine;
Baghli, Fatima Zahra

Publication type:

Article

On Hardness and Electronegativity Equalization in Chemical Reactivity Theory.

Published in:

Journal of Statistical Physics, 2006, v. 125, n. 5/6, p. 1121, doi. 10.1007/s10955-006-9031-0

By:

Cohen, Morrel H.;
Wasserman, Adam

Publication type:

Article

Effects of electronegativities and charge delocalization on Q2 Raman shifts of alkaline- and alkaline earth-bearing glasses and metasilicate crystals.

Published in:

American Mineralogist, 2022, v. 107, n. 11, p. 2044, doi. 10.2138/am-2022-8172

By:

Wayne Nesbitt, H.;
Dean, Phil A.W.;
Michael Bancroft, G.;
Henderson, Grant S.

Publication type:

Article

Computational Insights into Excited State Intramolecular Double Proton Transfer Behavior Associated with Atomic Electronegativity for Bis(2′-benzothiazolyl)hydroquinone.

Published in:

Molecules, 2023, v. 28, n. 16, p. 5951, doi. 10.3390/molecules28165951

By:

Zhao, Jinfeng;
Liu, Chang

Publication type:

Article

Electronegativity under Confinement.

Published in:

Molecules, 2021, v. 26, n. 22, p. 6924, doi. 10.3390/molecules26226924

By:

Robles-Navarro, Andrés;
Cárdenas, Carlos;
Fuentealba, Patricio

Publication type:

Article

From Electronegativity towards Reactivity—Searching for a Measure of Atomic Reactivity.

Published in:

Molecules, 2021, v. 26, n. 12, p. 3680, doi. 10.3390/molecules26123680

By:

Nordholm, Sture

Publication type:

Article

Comparative analysis of the electronic structure and electronegativity of groups of unbranched ethers of sulphoxylate acid.

Published in:

Journal of Structural Chemistry, 2015, v. 56, n. 1, p. 22, doi. 10.1134/S0022476615010047

By:

Rusakova, N.;
Turovtsev, V.;
Orlov, Yu.

Publication type:

Article

Solid‐state electronegativity of atoms: new approaches.

Published in:

Acta Crystallographica Section B: Structural Science, Crystal Engineering & Materials, 2021, v. 77, n. 4, p. 495, doi. 10.1107/S2052520621004704

By:

Batsanov, Stepan S.;
Batsanov, Andrei S.

Publication type:

Article

Unveiling the atomic‐electronegativity‐dependent ESIPT behavior for 4′‐dimethylamino‐flavonol chemosensor.

Published in:

Journal of the Chinese Chemical Society, 2023, v. 70, n. 9, p. 1715, doi. 10.1002/jccs.202300142

By:

Li, Xiaoxiao;
Wang, Xiao;
Zhao, Jinfeng;
Jin, Bing;
Yang, Yunfan

Publication type:

Article

Effects of Electronegativity and Hydration Energy on the Selective Adsorption of Heavy Metal Ions by Synthetic NaX Zeolite.

Published in:

Materials (1996-1944), 2021, v. 14, n. 15, p. 4066, doi. 10.3390/ma14154066

By:

Fan, Xianyuan;
Liu, Hong;
Anang, Emmanuella;
Ren, Dajun

Publication type:

Article

Software news and updates electronegativity equalization method: Parameterization and validation for organic molecules using the Merz-Kollman-Singh charge distribution scheme.

Published in:

Journal of Computational Chemistry, 2009, v. 30, n. 7, p. 1174, doi. 10.1002/jcc.21142

By:

JIROUŠKOVÁ, ZUZANA;
Á VAREKOVÁ, RADKA SVOBODOVÁ;
VANÊK, JAKUB;
KOČA, JAROSLAV

Publication type:

Article

Is hydrogen electronegativity higher than Pauling's value? New clues from the 13C and 29Si NMR chemical shifts of [CHF3] and [SiHF3] molecules.

Published in:

Pure & Applied Chemistry, 2019, v. 91, n. 10, p. 1679, doi. 10.1515/pac-2019-0202

By:

Benedetti, Michele;
De Castro, Federica;
Ciccarese, Antonella;
Fanizzi, Francesco Paolo

Publication type:

Article

Modulating Electron Density of Boron–Oxygen Groups in Borate via Metal Electronegativity for Propane Oxidative Dehydrogenation.

Published in:

Materials (1996-1944), 2024, v. 17, n. 12, p. 2868, doi. 10.3390/ma17122868

By:

Li, Panpan;
Yao, Yongbin;
Chai, Shanshan;
Li, Zhijian;
Xue, Fan;
Wang, Xi

Publication type:

Article

High-Throughput Screening of High-Performance Thermoelectric Materials with Gibbs Free Energy and Electronegativity.

Published in:

Materials (1996-1944), 2023, v. 16, n. 15, p. 5399, doi. 10.3390/ma16155399

By:

Xu, Guiying;
Xin, Jiakai;
Deng, Hao;
Shi, Ran;
Zhang, Guangbing;
Zou, Ping

Publication type:

Article

Effects of the Electronegativity of Second Row Elements on Their Bonding to Boron.

Published in:

American Journal of Undergraduate Research, 2016, v. 13, n. 3, p. 5, doi. 10.33697/ajur.2016.022

By:

Xavier Shiu;
Conceicao, J.

Publication type:

Article

Topological instability and electronegativity effects on the glass-forming ability of metallic alloys.

Published in:

Philosophical Magazine Letters, 2008, v. 88, n. 11, p. 785, doi. 10.1080/09500830802375622

By:

Botta, W. J.;
Pereira, F. S.;
Bolfarini, C.;
Kiminami, C. S.;
de Oliveira, M. F.

Publication type:

Article

On the Electrophilic Character of Molecules Through Its Relation with Electronegativity and Chemical Hardness.

Published in:

International Journal of Molecular Sciences, 2012, v. 13, n. 2, p. 2160, doi. 10.3390/ijms13022160

By:

Islam, Nazmul;
Ghosh, Dulal C.

Publication type:

Article

Systematic formulations for electronegativity and hardness and their atomic scales within density functional softness theory.

Published in:

International Journal of Quantum Chemistry, 2006, v. 106, n. 2, p. 361, doi. 10.1002/qua.20787

By:

Putz, Mihai V.

Publication type:

Article

Using the centre-of-mass of localized electron pairs to quantify electronegativity.

Published in:

Canadian Journal of Chemistry, 2016, v. 94, n. 12, p. 1077, doi. 10.1139/cjc-2016-0291

By:

Proud, Adam J.;
Pearson, Jason K.

Publication type:

Article

Self-consistent methods constrained to a fixed number of particles in a given fragment and its relation to the electronegativity equalization method.

Published in:

Theoretical Chemistry Accounts: Theory, Computation, & Modeling, 2012, v. 131, n. 6, p. 1, doi. 10.1007/s00214-012-1227-6

By:

Cedillo, Andrés;
Neck, Dimitri;
Bultinck, Patrick

Publication type:

Article

Theorem on rates of alignment of electronegativities of atoms in the process of formation of a chemical bond in a binary molecule.

Published in:

Journal of Mathematical Chemistry, 2024, v. 62, n. 9, p. 2326, doi. 10.1007/s10910-024-01655-z

By:

Perfileev, Michael;
Lyakishev, Vladislav

Publication type:

Article

Atomic electronegativity based on hardness and floating spherical gaussian orbital approach.

Published in:

Journal of Mathematical Chemistry, 2022, v. 60, n. 2, p. 360, doi. 10.1007/s10910-021-01306-7

By:

Kumari, Varsha;
Singh, Tanupriya;
Devi, Saroj;
Tandon, Hiteshi;
Labarca, Martín;
Chakraborty, Tanmoy

Publication type:

Article

Synthesis Design of Electronegativity Dependent WO 3 and WO 3 ∙0.33H 2 O Materials for a Better Understanding of TiO 2 /WO 3 Composites' Photocatalytic Activity.

Published in:

Catalysts (2073-4344), 2021, v. 11, n. 7, p. 779, doi. 10.3390/catal11070779

By:

Székely, István;
Kedves, Endre-Zsolt;
Pap, Zsolt;
Baia, Monica

Publication type:

Article

Electronegativity Matching of Asymmetrically Coordinated Single‐Atom Catalysts for High‐Performance Lithium–Sulfur Batteries.

Published in:

Advanced Energy Materials, 2024, v. 14, n. 19, p. 1, doi. 10.1002/aenm.202303893

By:

Cao, Fengliang;
Zhang, Xinke;
Jin, Zhihan;
Zhang, Jiuyue;
Tian, Zhenyu;
Kong, Debin;
Li, Yanpeng;
Li, Yutong;
Zhi, Linjie

Publication type:

Article

Electronegativity Matching of Asymmetrically Coordinated Single‐Atom Catalysts for High‐Performance Lithium–Sulfur Batteries.

Published in:

Advanced Energy Materials, 2024, v. 14, n. 19, p. 1, doi. 10.1002/aenm.202303893

By:

Cao, Fengliang;
Zhang, Xinke;
Jin, Zhihan;
Zhang, Jiuyue;
Tian, Zhenyu;
Kong, Debin;
Li, Yanpeng;
Li, Yutong;
Zhi, Linjie

Publication type:

Article

LDL electronegativity index: a potential novel index for predicting cardiovascular disease.

Published in:

2015

By:

Ivanova, Ekaterina A.;
Bobryshev, Yuri V.;
Orekhov, Alexander N.

Publication type:

journal article

On the use of electronegativity and electron affinity based pseudo‐molecular field descriptors in developing correlations for quantitative structure‐activity relationship modeling of drug activities.

Published in:

Chemical Biology & Drug Design, 2021, v. 98, n. 2, p. 258, doi. 10.1111/cbdd.13895

By:

Kunde, Pushkar D.;
Ramkumar, Sudha;
Kamble, Sanjay P.;
Ravikumar, Ameeta;
Kulkarni, Bhaskar D.;
Kumar, V. Ravi

Publication type:

Article

Peculiarities of the dependences of the dielectric properties of solid solutions of multicomponent systems on the electronegativity of their constituent cations.

Published in:

Journal of Advanced Dielectrics, 2022, v. 12, n. 4, p. 1, doi. 10.1142/S2010135X22440040

By:

Konstantin, Andryushin;
Svetlana, Dudkina;
Lidiya, Shilkina;
Sushrisangita, Sahoo;
Maksim, Moysa;
Inna, Andryushina;
Iliya, Verbenko;
Larisa, Reznichenko

Publication type:

Article

Relating screening to atomic properties and electronegativity in the Slater atom.

Published in:

Foundations of Chemistry, 2024, v. 26, n. 1, p. 89, doi. 10.1007/s10698-023-09492-9

By:

Viswanathan, Balakrishnan;
Gulam Razul, M. Shajahan

Publication type:

Article

Incompatible models in chemistry: the case of electronegativity.

Published in:

Foundations of Chemistry, 2019, v. 21, n. 1, p. 71, doi. 10.1007/s10698-018-09328-x

By:

Accorinti, Hernán Lucas

Publication type:

Article

Linear correlation between electronegativity and adsorption energy of hydrated metal ions by carboxyl-functionalized single-walled carbon nanotubes.

Published in:

Journal of Nanoparticle Research, 2023, v. 25, n. 4, p. 1, doi. 10.1007/s11051-023-05722-5

By:

Lee, Chien-Lin;
Hsi, Hsing-Cheng;
Chang, Chia Ming

Publication type:

Article

Energy Electronegativity and Chemical Bonding.

Published in:

Molecules, 2022, v. 27, n. 23, p. 8215, doi. 10.3390/molecules27238215

By:

Batsanov, Stepan S.

Publication type:

Article

More Electropositive is More Electronegative: Atom Size Determines C=X Group Electronegativity.

Published in:

Chemistry - A European Journal, 2024, v. 30, n. 15, p. 1, doi. 10.1002/chem.202304161

By:

Nieuwland, Celine;
Verdijk, Ron;
Fonseca Guerra, Célia;
Bickelhaupt, F. Matthias

Publication type:

Article

Qualitative Analysis of Tolerance Factor, Electronegativity and Chemical Bonding of Some Ferroelectric Perovskites Through MOT.

Published in:

Ferroelectrics, 2005, v. 315, n. 1, p. 91, doi. 10.1080/00150190590933050

By:

Singh, K.;
Acharya, S.;
Atkare, D. V.

Publication type:

Article

Electronegativity difference as a factor for evaluating the thermal stability of Al-rich metallic glasses.

Published in:

Philosophical Magazine Letters, 2008, v. 88, n. 12, p. 917, doi. 10.1080/09500830802526596

By:

Ma, C.S.;
Zhang, J.;
Chang, X.C.;
Hou, W.L.;
Wang, J.Q.

Publication type:

Article