Works matching DE "ELECTRON delocalization"

Results: 502

Crystal Structure Analysis of Four 2-Pyridineformamide Thiosemicarbazone Derivatives Using Non-Spherical Atomic Form Factors.

Published in:

Journal of Chemical Crystallography, 2025, v. 55, n. 2, p. 75, doi. 10.1007/s10870-024-01037-y

By:

Shakya, Bhushan;
Mahiya, Kuldeep;
Shrestha, Ramina Maharjan;
Oli, Hari Bhakta;
Yadav, Paras Nath

Publication type:

Article

The Common Concept of Anticooperativity Among Molecules Is Fundamentally Flawed, Based on Novel and Unified Molecular-Wide and Electron Density (MOWeD) Concept of Chemical Bonding.

Published in:

Molecules, 2025, v. 30, n. 9, p. 1944, doi. 10.3390/molecules30091944

By:

Cukrowski, Ignacy;
Zaaiman, Stéfan;
Hussain, Shahnawaz

Publication type:

Article

Planar Tetracoordinate Oxygen Atoms.

Published in:

Angewandte Chemie, 2025, v. 137, n. 20, p. 1, doi. 10.1002/ange.202500292

By:

Castillo‐Toraya, Gabriela;
Ortíz‐Chi, Filiberto;
Barroso, Jorge;
Orozco‐Ic, Mesías;
Leyva‐Parra, Luis;
Merino, Gabriel

Publication type:

Article

Flexible and Conductive Materials for Solar Cell Applications.

Published in:

Macromolecular Symposia, 2021, v. 396, n. 1, p. 1, doi. 10.1002/masy.202000330

By:

Mocioiu, Ana‐Maria;
Mocioiu, Oana C.

Publication type:

Article

Synthesis of Polyaniline Under Electrolytic Plasma on Carbon Fiber Fabric.

Published in:

Macromolecular Symposia, 2020, v. 394, n. 1, p. 1, doi. 10.1002/masy.202000018

By:

Kunicki, Lucas;
Becker, Daniela;
Fontana, Luis C.;
Dalmolin, Carla

Publication type:

Article

Upgrading Electron Transfer with High Conductivity MOF Composites for Supercapacitors.

Published in:

Chemistry - A European Journal, 2025, v. 31, n. 22, p. 1, doi. 10.1002/chem.202500090

By:

Chen, Yihao;
Zhang, Songtao;
Sun, Fancheng;
Chen, Xudong;
Tang, Yijian;
Qiu, Ziming;
Hu, Yongbin;
Pang, Huan

Publication type:

Article

Controllable Self‐Assembly Morphologies of PPV‐Based Block Copolymers.

Published in:

2025

By:

Han, Liang;
He, Feng

Publication type:

Literature Review

Inter‐ and Intra‐Molecular Charge Redistributions in H‐Bonded Cyanuric AcidMelamine (CAM) Networks: Insight From Core Level Spectroscopy and Natural Bond Orbital Analysis.

Published in:

Chemistry - A European Journal, 2025, v. 31, n. 11, p. 1, doi. 10.1002/chem.202403782

By:

Toffoli, Daniele;
Costantini, Roberto;
Bernes, Elisa;
Nardi, Lorys Di;
Balducci, Gabriele;
Viola, Elisa;
Fronzoni, Giovanna;
Cossaro, Albano;
Lanzilotto, Valeria

Publication type:

Article

Narrowband Blue Circularly Polarized Luminescence Emitter Based on BN‐Doped Benzo[6]helicene with Stimuli‐Responsive Properties.

Published in:

Chemistry - A European Journal, 2024, v. 30, n. 52, p. 1, doi. 10.1002/chem.202402257

By:

Liu, Meiyan;
Li, Chenglong;
Liao, Guanming;
Zhao, Fenggui;
Yao, Chunxia;
Wang, Nan;
Yin, Xiaodong

Publication type:

Article

Can Aromaticity Be Evaluated Using Atomic Partitions Based on the Hilbert‐Space?

Published in:

Chemistry - A European Journal, 2024, v. 30, n. 44, p. 1, doi. 10.1002/chem.202401282

By:

Grèbol‐Tomàs, Joan;
Matito, Eduard;
Salvador, Pedro

Publication type:

Article

Electronic Control of Polyproline II Helix Stability via the Identity of Acyl Capping Groups: the Pivaloyl Group Particularly Promotes PPII.

Published in:

Chemistry - A European Journal, 2024, v. 30, n. 41, p. 1, doi. 10.1002/chem.202401454

By:

Bhatt, Megh R.;
Zondlo, Neal J.

Publication type:

Article

Aromaticity in Semi‐Condensed Figure‐Eight Molecules.

Published in:

Chemistry - A European Journal, 2024, v. 30, n. 35, p. 1, doi. 10.1002/chem.202401016

By:

Artigas, Albert;
Carissan, Yannick;
Hagebaum‐Reignier, Denis;
Bock, Harald;
Durola, Fabien;
Coquerel, Yoann

Publication type:

Article

Methyl‐Symmetrically Substituted Poly(3,4‐Dimethylthiophene) as Cathode for Aluminum Ion Batteries.

Published in:

Chemistry - A European Journal, 2024, v. 30, n. 18, p. 1, doi. 10.1002/chem.202303892

By:

Li, Sihang;
Wang, Juan;
Zhou, Min;
Jiang, Kai;
Wang, Kangli

Publication type:

Article

Unexpected Reduction of a Coordinated Diazapyridinophane Ligand Bound to Chromium(III) Ion Leading to Delocalization of the Unpaired Electron across Two Isolated Pyridine Units.

Published in:

Chemistry - A European Journal, 2024, v. 30, n. 5, p. 1, doi. 10.1002/chem.202301099

By:

Krämer, Kristin;
Schmitz, Markus;
Kelm, Harald;
van Wüllen, Christoph;
Krüger, Hans‐Jörg

Publication type:

Article

Unraveling the Push‐Pull Effect in Acenes, Polyenes and Polyynes.

Published in:

Chemistry - A European Journal, 2024, v. 30, n. 4, p. 1, doi. 10.1002/chem.202303207

By:

Wieczorkiewicz, Paweł A.;
Shahamirian, Mozhgan;
Kupka, Teobald;
Makieieva, Natalina;
Krygowski, Tadeusz M.;
Szatylowicz, Halina

Publication type:

Article

Electronic Structure and Aromaticity of an Unusual Cyclo[18]carbon Precursor, C18Br6.

Published in:

Chemistry - A European Journal, 2023, v. 29, n. 31, p. 1, doi. 10.1002/chem.202300348

By:

Wang, Xia;
Liu, Zeyu;
Wang, Jiaojiao;
Lu, Tian;
Xiong, Weiwei;
Yan, Xiufen;
Zhao, Mengdi;
Orozco‐Ic, Mesías

Publication type:

Article

Captodative Effect Facilitates the Excitation in Diboron Molecule (CAAC)2B2(SH)2.

Published in:

Chemistry - A European Journal, 2023, v. 29, n. 19, p. 1, doi. 10.1002/chem.202203817

By:

Zhang, Huaiyu;
Wang, Yating;
Lu, Qingrui;
Song, Jinshuai;
Duan, Yandong;
Zeng, Yanli;
Mo, Yirong

Publication type:

Article

Interplay Between Hydrogen Bonding and Electron Transfer in Mixed Valence Assemblies of Triarylamine Trisamides.

Published in:

Chemistry - A European Journal, 2023, v. 29, n. 9, p. 1, doi. 10.1002/chem.202203199

By:

Sallembien, Quentin;
Aoun, Paméla;
Blanchard, Sébastien;
Bouteiller, Laurent;
Raynal, Matthieu

Publication type:

Article

Neutral Boryl Radicals in Mixed‐Valent B(III)Br‐B(II) Adducts.

Published in:

Chemistry - A European Journal, 2023, v. 29, n. 1, p. 1, doi. 10.1002/chem.202202634

By:

Liu, Tong‐Tong;
Chen, Jiaxin;
Chen, Xin‐Lei;
Ma, Li;
Guan, Bing‐Tao;
Lin, Zhenyang;
Shi, Zhang‐Jie

Publication type:

Article

[Nb@Ge13/14]3−: New Family Members of Ge‐Based Intermetalloid Clusters.

Published in:

Chemistry - A European Journal, 2022, v. 28, n. 62, p. 1, doi. 10.1002/chem.202202192

By:

Huang, Ya‐Shan;
Xue, Yuan;
Muñoz‐Castro, Alvaro;
Popov, Ivan A.;
Sun, Zhong‐Ming

Publication type:

Article

π‐Conjugated Copper Phthalocyanine Nanoparticles as Highly Sensitive Sensor for Colorimetric Detection of Biomarkers.

Published in:

Chemistry - A European Journal, 2022, v. 28, n. 38, p. 1, doi. 10.1002/chem.202104591

By:

Chen, Fan;
Zhu, Huang;
Lv, Ning;
Li, Qian;
Ma, Tian;
Wang, Liyun;
Zhou, Mi;
Cao, Sujiao;
Luo, Xianglin;
Cheng, Chong

Publication type:

Article

Top-Beiträge aus unseren Schwesterzeitschriften: Angew. Chem. 8/2014.

Published in:: Angewandte Chemie, 2014, v. 126, n. 8, p. 2054, doi. 10.1002/ange.201480813
Publication type:: Article

Isolation and Characterization of the Cycloparaphenylene Radical Cation and Dication.

Published in:

Angewandte Chemie, 2013, v. 125, n. 51, p. 13967, doi. 10.1002/ange.201306881

By:

Kayahara, Eiichi;
Kouyama, Takahiko;
Kato, Tatsuhisa;
Takaya, Hikaru;
Yasuda, Nobuhiro;
Yamago, Shigeru

Publication type:

Article

Diastereospecific Nazarov Cyclization of Fully Substituted Dienones: Generation of Vicinal All-Carbon-Atom Quaternary Stereocenters.

Published in:

Angewandte Chemie, 2013, v. 125, n. 42, p. 11308, doi. 10.1002/ange.201305218

By:

Jolit, Anais;
Vazquez ‐ Rodriguez, Saleta;
Yap, Glenn P. A.;
Tius, Marcus A.

Publication type:

Article

Delocalized Electron Accumulation at Nanorod Tips: Origin of Efficient H2 Generation.

Published in:

Advanced Functional Materials, 2016, v. 26, n. 25, p. 4527, doi. 10.1002/adfm.201600285

By:

Zhang, Kan;
Kim, Jung Kyu;
Ma, Ming;
Yim, Sang Youp;
Lee, Chang‐Lyoul;
Shin, Hyunjung;
Park, Jong Hyeok

Publication type:

Article

Stable Delocalized Singlet Biradical Hydrocarbon for Organic Field-Effect Transistors.

Published in:

Advanced Functional Materials, 2016, v. 26, n. 2, p. 277, doi. 10.1002/adfm.201503650

By:

Koike, Harunobu;
Chikamatsu, Masayuki;
Azumi, Reiko;
Tsutsumi, Jun'ya;
Ogawa, Kazumichi;
Yamane, Wataru;
Nishiuchi, Tomohiko;
Kubo, Takashi;
Hasegawa, Tatsuo;
Kanai, Kaname

Publication type:

Article

Origin of Reduced Bimolecular Recombination in Blends of Conjugated Polymers and Fullerenes.

Published in:

Advanced Functional Materials, 2014, v. 23, n. 34, p. 4262, doi. 10.1002/adfm.201203852

By:

Murthy, D. H. K.;
Melianas, Armantas;
Tang, Zheng;
Juška, Gytis;
Arlauskas, Kȩstutis;
Zhang, Fengling;
Siebbeles, Laurens D. A.;
Inganäs, Olle;
Savenije, Tom J.

Publication type:

Article

Investigation of the doping mechanism and electron transition bands of PEO/KMnO4 complex composite films.

Published in:

Journal of Materials Science: Materials in Electronics, 2022, v. 33, n. 17, p. 14051, doi. 10.1007/s10854-022-08336-0

By:

Al-Bataineh, Qais M.;
Aljarrah, Ihsan A.;
Ahmad, Ahmad A.;
Alsaad, Ahmad M.;
Telfah, Ahmad

Publication type:

Article

Weakly negative permittivity with an extremely low plasma frequency in polyvinyl alcohol/graphene membranous metacomposites.

Published in:

Journal of Materials Science: Materials in Electronics, 2021, v. 32, n. 18, p. 23081, doi. 10.1007/s10854-021-06791-9

By:

Wang, Zongxiang;
Sun, Kai;
Tian, Jiahong;
He, Qifa;
Yang, Pengtao;
Duan, Wenxin;
Xie, Peitao;
Hou, Qing;
Fan, Runhua

Publication type:

Article

Crystal growth, structure, Hirshfeld surface, optical and thermal studies of p-aminoazobenzene crystal.

Published in:

Journal of Materials Science: Materials in Electronics, 2021, v. 32, n. 15, p. 20698, doi. 10.1007/s10854-021-06583-1

By:

Chandran, Senthilkumar;
Elavarasi, C.;
James, G. John;
Srinivasan, M.;
Ramasamy, P.;
Magesh, M.

Publication type:

Article

Iron/epoxy random metamaterials with adjustable epsilon-near-zero and epsilon-negative property.

Published in:

Journal of Materials Science: Materials in Electronics, 2021, v. 32, n. 12, p. 15995, doi. 10.1007/s10854-021-06150-8

By:

Liu, Mingxiang;
Lan, Xiaopeng;
Zhang, Haoyuan;
Xie, Peitao;
Wu, Nannan;
Yuan, Hua;
Sui, Kunyan;
Fan, Runhua;
Liu, Chunzhao

Publication type:

Article

Synthesis of nanocrystalline Co3O4 through solution combustion method: effect of fuel to oxidizer ratio on structural and physical properties.

Published in:

Journal of Materials Science: Materials in Electronics, 2021, v. 32, n. 11, p. 14919, doi. 10.1007/s10854-021-06044-9

By:

Kumar, G. Pradeep;
Jawahar, I. N.;
Biju, V.

Publication type:

Article

Investigation of solvent effects on the aromaticity of hydroxybenzenes, considering magnetically induced current densities in adducts with explicit water molecules.

Published in:

Theoretical Chemistry Accounts: Theory, Computation, & Modeling, 2024, v. 143, n. 5, p. 1, doi. 10.1007/s00214-024-03116-x

By:

Mammino, Liliana;
Alvarez-Thon, Luis

Publication type:

Article

Three isoelectronic families of X4Y4 cubic systems.

Published in:

Theoretical Chemistry Accounts: Theory, Computation, & Modeling, 2024, v. 143, n. 2, p. 1, doi. 10.1007/s00214-024-03091-3

By:

Brumas, Véronique;
Evangelisti, Stefano;
Ben Amor, Nadia

Publication type:

Article

QTAIM view of Fe...Fe binding within triiron clusters [(μ3-S) Fe3(CO)9(μ3-CO)].

Published in:

Theoretical Chemistry Accounts: Theory, Computation, & Modeling, 2023, v. 142, n. 11, p. 1, doi. 10.1007/s00214-023-03065-x

By:

Hamza, Noorhan Ali;
Al-Ibadi, Muhsen Abood Muhsen

Publication type:

Article

On the aromaticity of substituted benzene.

Published in:

Theoretical Chemistry Accounts: Theory, Computation, & Modeling, 2023, v. 142, n. 10, p. 1, doi. 10.1007/s00214-023-03032-6

By:

Patra, Shanti Gopal;
Mondal, Himangshu;
Bhattacharjya, Manash Jyoti;
Chetia, Naina;
Chattaraj, Pratim Kumar

Publication type:

Article

What dictates alkane isomerization? A combined density functional theory and information-theoretic approach study.

Published in:

Theoretical Chemistry Accounts: Theory, Computation, & Modeling, 2023, v. 142, n. 8, p. 1, doi. 10.1007/s00214-023-03014-8

By:

Luo, Chenyu;
He, Xin;
Zhong, Aiguo;
Liu, Shubin;
Zhao, Dongbo

Publication type:

Article

吲哚咔唑类异构体芳香性的研究.

Published in:

Journal of Molecular Science, 2023, v. 39, n. 4, p. 318, doi. 10.13563/j.cnki.jmolsci.2022.11.003

By:

艾合买提·沙塔尔;
阿布力克木·克热木

Publication type:

Article

Meso-Meso and β-Meso Imine-Bridged Thien-2-yl Porphyrin Dyads: Synthesis, Spectral and Electrochemical Investigations.

Published in:

Polycyclic Aromatic Compounds, 2024, v. 44, n. 8, p. 5150, doi. 10.1080/10406638.2023.2261588

By:

Veeran, Vinoth Kumar;
Prakasam, Gayathri;
Chakravarthy, Arunamaheswari;
Purushothaman, Bhavana;
Rangaraj, Prasath

Publication type:

Article

Theoretical Investigation on Solvents Effect in Molecular Structure (TD-DFT, MEP, HOMO-LUMO), Topological Analysis and Molecular Docking Studies of N-(5-((4-Ethylpiperazin-1-yl)Methyl)Pyridin-2-yl)-5-Fluoro-4-(4-Fluoro-1-Isopropyl-2-Methyl-1H-Benzo[d] Imidazol-6-yl) Pyrimidin-2-Amine

Published in:

Polycyclic Aromatic Compounds, 2024, v. 44, n. 7, p. 4467, doi. 10.1080/10406638.2023.2254896

By:

Elangovan, N.;
Sowrirajan, S.;
Arumugam, Natarajan;
Rajeswari, B.;
Mathew, Shanty;
Priya, C. Geetha;
Venkatraman, B. R.;
Mahalingam, Sakkarapalayam M.

Publication type:

Article

Investigation of Molecular Structure, Topological and Molecular Docking Studies of a Novel Anticancer Drug Pacritinib.

Published in:

Polycyclic Aromatic Compounds, 2024, v. 44, n. 7, p. 4388, doi. 10.1080/10406638.2023.2249575

By:

Elangovan, N.;
Alzahrani, Abdullah Y.;
Ajithkumar, G.;
K. J, Rajimon;
Thomas, Renjith

Publication type:

Article

Synthesis, Structural, Spectroscopic, Topological, NLO and Docking Analysis on 4-Ethoxy-3-Methoxy Benzaldehyde: experimental and Theoretical Approach.

Published in:

Polycyclic Aromatic Compounds, 2024, v. 44, n. 6, p. 3860, doi. 10.1080/10406638.2023.2240936

By:

M, Jini Pramila;
Arul Dhas, D.;
Joe, I. Hubert;
S, Balachandran

Publication type:

Article

Investigation on the Role of Molecular Planarity and Conjugation Effects on Physicochemical Properties of Anthracene and Pyrene Appended meso-5,15-Bis(Thien-2-yl)-10,20-Diphenylporphyrin Triads.

Published in:

Polycyclic Aromatic Compounds, 2023, v. 43, n. 9, p. 8319, doi. 10.1080/10406638.2022.2149566

By:

Vinoth Kumar, V.;
Gayathri, P.;
Sankar, R.;
Arunamaheswari, C.;
Prasath, R.

Publication type:

Article

Synthesis, X-Ray Diffraction, DFT and Hirshfeld Surface Studies of 9-(4-Hydroxyphenyl-Tetramethyl-Hexahydro-1H-Xanthene-1,8(2H)-Dione.

Published in:

Polycyclic Aromatic Compounds, 2023, v. 43, n. 8, p. 6953, doi. 10.1080/10406638.2022.2127804

By:

Fatima, Aysha;
Khanum, Ghazala;
Sharma, Arun;
Siddiqui, Nazia;
Butcher, Ray J.;
Srivastava, Sanjay Kumar;
Javed, Saleem

Publication type:

Article

Molecular Docking, Spectroscopic, and Computational Studies of 2-{3-(4-Chlorophenyl)-5-[4-(Propan-2-yl) Phenyl]-4, 5-Dihydro-1H-Pyrazol-1-yl}-1, 3-Thiazol-4(5H)-One.

Published in:

Polycyclic Aromatic Compounds, 2022, v. 42, n. 5, p. 2222, doi. 10.1080/10406638.2020.1830810

By:

Jayasudha, J.;
Balachandran, V.;
Narayana, B.

Publication type:

Article

Investigation of visible-light absorption in Cu2O/TiO2 heterojunctions with an interstitial at the interface.

Published in:

Physica Status Solidi (B), 2017, v. 254, n. 2, p. n/a, doi. 10.1002/pssb.201600420

By:

Li, Lei;
Li, Wenshi;
Yang, Jianfeng;
Mao, Ling‐Feng

Publication type:

Article

Bis‐isoindigos: New Electron‐Deficient Building Blocks for Constructing Conjugated Polymers with Extended Electron Delocalization.

Published in:

Asian Journal of Organic Chemistry, 2018, v. 7, n. 11, p. 2248, doi. 10.1002/ajoc.201800360

By:

Luo, Xuyi;
Tran, Dung T.;
Sun, Hong;
Mi, Tianxiong;
Kadlubowski, Natalie M.;
Zhao, Yan;
Zhao, Kejie;
Mei, Jianguo

Publication type:

Article

Unveiling geometric quantum resources and uncertainty relation in a two-dimensional electron gas: Unveiling geometric quantum resources and uncertainty...: C. Banouni et al.

Published in:

Applied Physics B: Lasers & Optics, 2025, v. 131, n. 1, p. 1, doi. 10.1007/s00340-024-08368-w

By:

Banouni, Chaimae;
Bouafia, Zakaria;
Mansour, Mostafa;
Ouchrif, Mohamed

Publication type:

Article

Synthesis, characterization, crystal structure determination and computational study of the high-spin iron(II) 2-cyanopyrazine complex trans-[Fe(pzCN)4Cl2].

Published in:

Research on Chemical Intermediates, 2020, v. 46, n. 5, p. 2641, doi. 10.1007/s11164-020-04111-0

By:

Amani, Vahid;
Delbari, Akram Sadat;
Sharafie, Darioush;
Naseh, Mohamad

Publication type:

Article

Identification of a potent palladium-aryldiphosphine catalytic system for high-performance carbonylation of alkenes.

Published in:

Nature Communications, 2024, v. 15, n. 1, p. 1, doi. 10.1038/s41467-024-46286-9

By:

Zhao, Kang;
Wang, Hongli;
Li, Teng;
Liu, Shujuan;
Benassi, Enrico;
Li, Xiao;
Yao, Yao;
Wang, Xiaojun;
Cui, Xinjiang;
Shi, Feng

Publication type:

Article