Works matching DE "ELECTRONEGATIVITY"

Results: 659

Visible Light‐Induced Trifluoromethylation of (Hetero)Arenes by Using SF6 as an Oxidant.

Published in:

European Journal of Organic Chemistry, 2025, v. 28, n. 25, p. 1, doi. 10.1002/ejoc.202500314

By:

Guo, Xiao‐Yu;
Zhu, Shan;
Zuo, Ya‐Wen;
He, Yan;
Yang, Yi‐Gang;
Jin, Ruo‐Xing;
Wang, Xi‐Sheng

Publication type:

Article

Ab initio Calculations of Electronic Properties of NonStoichiometric CdmTen Clusters.

Published in:

Nanosistemi, Nanomateriali, Nanotehnologii, 2025, v. 23, n. 1, p. 27, doi. 10.15407/nnn.23.01.0027

By:

Semkiv, I. V.;
Deva, L. R.;
Shchepanskyi, P. A.;
Rudysh, M. Ya.;
Kashuba, N. Y.;
Pokladok, N. T.;
Kashuba, A. I.

Publication type:

Article

Mapping cation-eutaxy ternary with a phenomenological model.

Published in:

Nature Communications, 2025, v. 16, n. 1, p. 1, doi. 10.1038/s41467-025-60739-9

By:

Won, Jongbum;
Kim, Taeyoung;
Lee, Minwoo;
Davies, Daniel W.;
Lee, Giyeok;
Walsh, Aron;
Soon, Aloysius;
Kim, Jong-Young;
Shim, Wooyoung

Publication type:

Article

ELECTRONEGATIVITY EFFECTS ON THE BANDGAP BOWING CHARACTERS IN COMPOUND-SEMICONDUCTOR TERNARY ALLOYS.

Published in:

International Journal of Nanoscience, 2010, v. 9, n. 6, p. 609, doi. 10.1142/S0219581X10007356

By:

TIT, NACIR;
AMRANE, NOUREDDINE;
RESHAK, ALI HUSSAIN

Publication type:

Article

Dielectric and pyroelectric properties of monovalent-lithium modified trivalent-samarium doped barium strontium sodium niobate tungsten bronze structured ceramics.

Published in:

Journal of Materials Science: Materials in Electronics, 2009, v. 20, n. 10, p. 977, doi. 10.1007/s10854-008-9818-7

By:

Chandramouli, K.;
Viswarupachary, P.;
Ramam, Koduri

Publication type:

Article

Tolerance factor and the stability discussion of ABO3-type ilmenite.

Published in:

Journal of Materials Science: Materials in Electronics, 2009, v. 20, n. 4, p. 323, doi. 10.1007/s10854-008-9728-8

By:

Liu, XiangChun;
Rongzi Hong;
Changsheng Tian

Publication type:

Article

Fabrication and characteristics of La, Cd and Sn doped BST thin films by sol–gel method.

Published in:

Journal of Materials Science: Materials in Electronics, 2008, v. 19, n. 12, p. 1197, doi. 10.1007/s10854-007-9527-7

By:

Wencheng Hu;
Chuanren Yang;
Wanli Zhang

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

On how some fundamental chemical concepts are correlated by arithmetic, geometric and harmonic means.

Published in:

Foundations of Chemistry, 2023, v. 25, n. 2, p. 265, doi. 10.1007/s10698-023-09466-x

By:

Di Giacomo, Francesco

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

Density functional theory, chemical reactivity, and the Fukui functions.

Published in:

Foundations of Chemistry, 2022, v. 24, n. 1, p. 59, doi. 10.1007/s10698-022-09416-z

By:

Pucci, R.;
Angilella, G. G. N.

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

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

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

Kinetic Method Analysis of the Effect of Halogenation on Relative Proton Affinity of Tyrosine.

Published in:

Helvetica Chimica Acta, 2016, v. 99, n. 3, p. 181, doi. 10.1002/hlca.201500208

By:

Gannamani, Bharathi;
Shin, Joong‐Won

Publication type:

Article

Boyd Group Electronegativity Influence on the Parr Global Electrophilicity of Vilsmeier Reagent-Derived Imidates: New Insights toward Improving Mitsunobu Chemistry.

Published in:

Helvetica Chimica Acta, 2015, v. 98, n. 4, p. 582, doi. 10.1002/hlca.201400340

By:

Carr, Jeremy M.;
Tschumper, Gregory S.;
Paige Lathem, A.

Publication type:

Article

The biodegradation vs. biotransformation of fluorosubstituted aromatics.

Published in:

Applied Microbiology & Biotechnology, 2015, v. 99, n. 18, p. 7433, doi. 10.1007/s00253-015-6817-5

By:

Kiel, Martina;
Engesser, Karl-Heinrich

Publication type:

Article

Improving the Dyeing of Polypropylene by Surface Fluorination.

Published in:

Colorants, 2022, v. 1, n. 2, p. 121, doi. 10.3390/colorants1020008

By:

Namie, Masanari;
Kim, Jae-Ho;
Yonezawa, Susumu

Publication type:

Article

Spectroscopic details on the molecular structure of pyrimidine‑2‑thiones heterocyclic compounds: computational and antiviral activity against the main protease enzyme of SARS-CoV-2.

Published in:

BMC Chemistry, 2022, v. 16, n. 1, p. 1, doi. 10.1186/s13065-022-00881-3

By:

Sayed, Doaa S. El;
Abdelrehim, El-Sayed M.

Publication type:

Article

Synthesis of α-Fe2O3 Nano Powders by Novel UV Irradiation Method.

Published in:

Diyala Journal for Pure Science, 2018, v. 14, n. 1, p. 56, doi. 10.24237/djps.1401.330B

By:

Abd, Ahmed Najem;
Mahmoud, Zaid Hamid

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

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

Electrostatic Solitary Pulses in a Dusty Electronegative Magnetoplasma.

Published in:

Plasma Physics Reports, 2018, v. 44, n. 11, p. 1057, doi. 10.1134/S1063780X18110028

By:

Banik, S.;
Amina, M.;
Ema, S. A.;
Hossen, M. R.;
Mamun, A. A.

Publication type:

Article

Characteristics of Electronegative Plasma Sheath with q-Nonextensive Electron Distribution.

Published in:

Plasma Physics Reports, 2018, v. 44, n. 1, p. 137, doi. 10.1134/S1063780X1801004X

By:

Borgohain, D. R.;
Saharia, K.

Publication type:

Article

Theoretical Study and Adsorption Behavior of Urea on Mild Steel in Automotive Gas Oil (AGO) Medium.

Published in:

Lubricants (2075-4442), 2022, v. 10, n. 7, p. 157, doi. 10.3390/lubricants10070157

By:

Chile, Nleonu Emmanuel;
Haldhar, Rajesh;
Godffrey, Ubaka Kelechi;
Chijioke, Onyemenonu Christopher;
Umezuruike, Ezeibe Anderson;
Ifeoma, Okeke Pamela;
Oke, Mong Oke;
Ichou, Hamza;
Arrousse, Nadia;
Kim, Seong-Cheol;
Dagdag, Omar;
Ebenso, Eno E.;
Taleb, Mustapha

Publication type:

Article

Improving the homogeneity and properties of ferrous powder mixes by a novel powder mixing process.

Published in:

Powder Metallurgy, 2019, v. 62, n. 2, p. 74, doi. 10.1080/00325899.2019.1582830

By:

Cheng, Lu;
Xu, Jiabin;
Chen, Wenchao;
Cheng, Jigui;
Chen, Pengqi

Publication type:

Article

Structural systematics of RSn(S CN R′ R″) Cl compounds.

Published in:

Zeitschrift für Kristallographie. Crystalline Materials, 2014, v. 229, n. 1, p. 39, doi. 10.1515/zkri-2013-1682

By:

Abdul Muthalib, Amirah Faizah;
Baba, Ibrahim;
Khaledi, Hamid;
Mohd Ali, Hapipah;
Tiekink, Edward R. T.

Publication type:

Article

A study on AB O compounds, Part IV: on segregation, electrostatic imbalance and connectivity formulas.

Published in:

Zeitschrift für Kristallographie. Crystalline Materials, 2014, v. 229, n. 1, p. 24, doi. 10.1515/zkri-2013-1705

By:

Beck, Horst P.

Publication type:

Article

Novel stable hard transparent conductors in TiO2-TiC system: Design materials from scratch.

Published in:

Scientific Reports, 2014, p. 1, doi. 10.1038/srep07503

By:

Xiangying Meng;
Dongyan Liu;
Xuefeng Dai;
Haijun Pan;
Xiaohong Wen;
Liang Zuo;
Gaowu Qin

Publication type:

Article

Energy Parameters of Interfacial Layers in Composite Systems: Graphene - (Si, Cu, Fe, Co, Au, Ag, Al, Ru, Hf, Pb) and Semiconductor (Si,Ge) - (Fe, Co, Cu, Al, Au, Cr, W, Pb).

Published in:

Journal of Nano- & Electronic Physics, 2015, v. 7, n. 4, p. 04059-1

By:

Koman, B. P.;
Yuzevich, V. M.

Publication type:

Article

Aromatic Rings Commonly Used in Medicinal Chemistry: Force Fields Comparison and Interactions With Water Toward the Design of New Chemical Entities.

Published in:

Frontiers in Pharmacology, 2018, p. 1, doi. 10.3389/fphar.2018.00395

By:

Polêto, Marcelo D.;
Rusu, Victor H.;
Grisci, Bruno I.;
Dorn, Marcio;
Lins, Roberto D.;
Verli, Hugo

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

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

Insight into generalized local softness based on ABEEM‐σπ method: Electrophilic additions to alkenes.

Published in:

Journal of the Chinese Chemical Society, 2022, v. 69, n. 2, p. 228, doi. 10.1002/jccs.202100392

By:

Ding, Yan‐Li;
Sun, Chang‐Liang;
Guo, Xiao‐Jiao;
Mu, Ji‐Rong

Publication type:

Article

Experimental and theoretical exploration on single crystal, structural, and quantum chemical parameters of (E)‐7‐(arylidene)‐1,2,6,7‐tetrahydro‐8H‐indeno[5,4‐b]furan‐8‐one derivatives: A comparative study

Published in:

Journal of the Chinese Chemical Society, 2020, v. 67, n. 10, p. 1763, doi. 10.1002/jccs.202000006

By:

Adole, Vishnu A.;
Jagdale, Bapu S.;
Pawar, Thansing B.;
Sawant, Arun B.

Publication type:

Article

Quantum parameters based study of some heterocycles using density functional theory method: A comparative theoretical study.

Published in:

Journal of the Chinese Chemical Society, 2020, v. 67, n. 2, p. 213, doi. 10.1002/jccs.201900134

By:

Rathi, Parveen;
Khanna, Radhika;
Jaswal, Vivek Sheel

Publication type:

Article

Electronegativity, symmetry, and bond strength intrinsically control charge transport through five-membered single-molecule junction.

Published in:

European Physical Journal B: Condensed Matter, 2019, v. 92, n. 10, p. N.PAG, doi. 10.1140/epjb/e2019-100361-7

By:

Mijbil, Zainelabideen Y.

Publication type:

Article

Electronic and magnetic properties of SiC nanoribbons by F termination.

Published in:

European Physical Journal B: Condensed Matter, 2011, v. 84, n. 3, p. 419, doi. 10.1140/epjb/e2011-20291-x

By:

Lu, D.;
Song, Y.;
Yang, Z.;
Xu, H.;
Wang, C.;
Gao, Z.

Publication type:

Article

Near-theoretical strength and deformation stabilization achieved via grain boundary segregation and nano-clustering of solutes.

Published in:

Nature Communications, 2024, v. 15, n. 1, p. 1, doi. 10.1038/s41467-024-53349-4

By:

Liu, Chang;
Rao, Jing;
Sun, Zhongji;
Lu, Wenjun;
Best, James P.;
Li, Xuehan;
Xia, Wenzhen;
Gong, Yilun;
Wei, Ye;
Zhang, Bozhao;
Ding, Jun;
Wu, Ge;
Ma, En

Publication type:

Article

Sequential Synthesis and Active‐Site Coordination Principle of Precious Metal Single‐Atom Catalysts for Oxygen Reduction Reaction and PEM Fuel Cells.

Published in:

Advanced Energy Materials, 2020, v. 10, n. 20, p. 1, doi. 10.1002/aenm.202000689

By:

Liu, Qingtao;
Li, Yongcheng;
Zheng, Lirong;
Shang, Jiaxiang;
Liu, Xiaofang;
Yu, Ronghai;
Shui, Jianglan

Publication type:

Article

New Insight on Tuning Electrical Transport Properties via Chalcogen Doping in n‐type Mg3Sb2‐Based Thermoelectric Materials.

Published in:

Advanced Energy Materials, 2018, v. 8, n. 16, p. 1, doi. 10.1002/aenm.201702776

By:

Zhang, Jiawei;
Song, Lirong;
Borup, Kasper Andersen;
Jørgensen, Mads Ry Vogel;
Iversen, Bo Brummerstedt

Publication type:

Article

Soluble Dicyanodistyrylbenzene-Based Non-Fullerene Electron Acceptors with Optimized Aggregation Behavior for High-Efficiency Organic Solar Cells.

Published in:

Advanced Energy Materials, 2015, v. 5, n. 1, p. n/a, doi. 10.1002/aenm.201400929

By:

Kwon, Oh Kyu;
Park, Jung‐Hwa;
Park, Sang Kyu;
Park, Soo Young

Publication type:

Article

NEEMP: software for validation, accurate calculation and fast parameterization of EEM charges.

Published in:

Journal of Cheminformatics, 2016, v. 8, p. 1, doi. 10.1186/s13321-016-0171-1

By:

Raček, Tomá;
Pazúriková, Jana;
Svobodová, Radka;
ková, Vaře;
Geidl, Stanislav;
Křenek, Ale;
Falginella, Francesco Luca;
Horský, Vladimír;
Hejret, Václav;
Koča, Jaroslav

Publication type:

Article

High-quality and universal empirical atomic charges for chemoinformatics applications.

Published in:

Journal of Cheminformatics, 2015, v. 7, p. 1, doi. 10.1186/s13321-015-0107-1

By:

Geidl, Stanislav;
Bouchal, Tomáš;
Raèek, Tomáš;
Vaøeková, Radka Svobodová;
Hejret, Václav;
Křenek, Aleš;
Abagyan, Ruben;
Koèa, Jaroslav

Publication type:

Article

Stability of xenon oxides at high pressures.

Published in:

Nature Chemistry, 2013, v. 5, n. 1, p. 61, doi. 10.1038/nchem.1497

By:

Zhu, Qiang;
Jung, Daniel Y.;
Oganov, Artem R.;
Glass, Colin W.;
Gatti, Carlo;
Lyakhov, Andriy O.

Publication type:

Article

A coordination chemistry dichotomy for icosahedral carborane-based ligands.

Published in:

Nature Chemistry, 2011, v. 3, n. 8, p. 590, doi. 10.1038/nchem.1088

By:

Spokoyny, Alexander M.;
Machan, Charles W.;
Clingerman, Daniel J.;
Rosen, Mari S.;
Wiester, Michael J.;
Kennedy, Robert D.;
Stern, Charlotte L.;
Sarjeant, Amy A.;
Mirkin, Chad A.

Publication type:

Article

Charge-shift bonding and its manifestations in chemistry.

Published in:

Nature Chemistry, 2009, v. 1, n. 6, p. 443, doi. 10.1038/nchem.327

By:

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

Publication type:

Article

A new approach to chemistry education at pre-university level.

Published in:

2009

By:

McCaw, C. S.;
Thompson, M. A.

Publication type:

Opinion

Halogen bonds as orthogonal molecular interactions to hydrogen bonds.

Published in:

Nature Chemistry, 2009, v. 1, n. 1, p. 74, doi. 10.1038/nchem.112

By:

Voth, Andrea Regier;
Khuu, Patricia;
Oishi, Keita;
Ho, P. Shing

Publication type:

Article