Works about MOLECULAR shapes

Results: 1580

Theoretical study of complexes based on lithium tetraamine and its fluorinated derivatives in interaction with Li−, Na−, and K− anions: study of static and dynamic NLO parameters by DFT.

Published in:

Journal of Molecular Modeling, 2025, v. 31, n. 5, p. 1, doi. 10.1007/s00894-025-06370-3

By:

Zouaoui-Rabah, Mourad;
Hedidi, Madani;
Elhorri, Abdelkader M.;
Mahdjoub–Araibi, Hicham

Publication type:

Article

Star‐Shaped Beta‐Substituted Porphyrins with Four DPP Arms for Organic Solar Cells.

Published in:

Asian Journal of Organic Chemistry, 2025, v. 14, n. 5, p. 1, doi. 10.1002/ajoc.202400789

By:

Yuan, Lin;
Wu, Jifa;
Wu, Hanping;
Li, Yumeng;
Guo, Yinchun;
Peng, Xiaobin

Publication type:

Article

The Licochalcone Compound A: Theoretical Studies Applied with DFT Method and Molecular Docking Simulations.

Published in:

Journal of Natural & Applied Sciences, 2025, v. 29, n. 1, p. 12, doi. 10.19113/sdufenbed.1560727

By:

KARTAL, Barış;
TANRIVERDİ, Aslıhan Aycan;
YILDIKO, Ümit

Publication type:

Article

Influence of Enzymatic Acylation on the Stability and Antioxidant Properties of Cyanidin-3- O -Glucoside in Both Aqueous and Lipid Systems.

Published in:

Molecules, 2025, v. 30, n. 9, p. 2015, doi. 10.3390/molecules30092015

By:

Ye, Ziwei;
Liu, Mingyun;
Lyu, Jingmei;
Rong, Han;
Gan, Lujing

Publication type:

Article

Xenon Trioxide Coordination Complexes of Crown Ethers: (CH2CH2O)4XeO3 and Xe(VI) Hydrates, [(CH2CH2O)6(H2O)XeO3]⋅ H2O and [(CH2CH2O)6(H2O)XeO3]2 ⋅ 2H2O ⋅ HF

Published in:

Angewandte Chemie, 2025, v. 137, n. 20, p. 1, doi. 10.1002/ange.202425216

By:

Marczenko, Katherine M.;
Mercier, Hélène P. A.;
Goettel, James T.;
Schrobilgen, Gary J.

Publication type:

Article

Synthesis and Properties of Thiophene‐Quinone Helicenes with Different Molecular Curvature.

Published in:

Chemistry - An Asian Journal, 2025, v. 20, n. 9, p. 1, doi. 10.1002/asia.202401588

By:

Unjaroen, Duenpen;
Hashmi, Yuttawat;
Tananchayakul, Pichayut;
Thongpanchang, Tienthong

Publication type:

Article

Nucleation Control and Separation of Ethyl Maltol Polymorphs II and III from Water‐Ethanol Solvent Mixtures.

Published in:

Crystal Research & Technology, 2025, v. 60, n. 5, p. 1, doi. 10.1002/crat.202400274

By:

Thirumalaisamy, Anitha;
Karuppannan, Srinivasan

Publication type:

Article

Prediction and Validation of Mechanical Flexibility in Molecular Crystals: Dispersion Interactions Dictate Bending.

Published in:

Angewandte Chemie, 2025, v. 137, n. 19, p. 1, doi. 10.1002/ange.202424496

By:

Singh, Ashi;
Rahman, Atiqur;
Mondal, Srijan;
Spackman, Mark A.;
Iversen, Bo B.;
Thomas, Sajesh P.

Publication type:

Article

Investigating the quaternary structure of a homomultimeric catechol 1,2-dioxygenase: An integrative structural biology study.

Published in:

PLoS ONE, 2025, v. 20, n. 5, p. 1, doi. 10.1371/journal.pone.0315992

By:

Almeida-Juarez, Arisbeth Guadalupe;
Chodankar, Shirish;
Pardo-López, Liliana;
Zavala-Padilla, Guadalupe;
Rudiño-Piñera, Enrique

Publication type:

Article

Naphthyl‐Substituted Ruthenium(II)–Arene Complexes: Exploring the Impact of Binding Modes on Cytotoxicity in Cancer and Normal Cell Lines.

Published in:

Bioinorganic Chemistry & Applications, 2025, v. 2025, p. 1, doi. 10.1155/bca/5556956

By:

Kavukcu, Serdar Batıkan;
Vatansever, Hafize Seda;
Ilhan, Suleyman;
Türkmen, Hayati;
Bednarski, Patrick

Publication type:

Article

In Silico Investigation of Molecular Properties and Molecular Docking of Darunavir: An Anti‐HIV Drug.

Published in:

Macromolecular Symposia, 2024, v. 413, n. 5, p. 1, doi. 10.1002/masy.202400052

By:

Kumar, Shiv;
Tiwari, Gargi;
Sharma, Dipendra

Publication type:

Article

Molecular Simulation of Conformational and Structural Properties of Random Copolymer Nanoparticles.

Published in:

Macromolecular Symposia, 2023, v. 408, n. 1, p. 1, doi. 10.1002/masy.202200002

By:

Vao‐soongnern, Visit

Publication type:

Article

Exploration of Superacidic Properties of HMnFn (n = 1–6) Using Density Functional Theory.

Published in:

Macromolecular Symposia, 2019, v. 388, n. 1, p. N.PAG, doi. 10.1002/masy.201900040

By:

Kargeti, Ankit;
Sharma, Gulshan;
Rasheed, Tabish

Publication type:

Article

Validity of Single Fluorescent Molecule to Report Local Dynamics of a Polymer Matrix: The Effect of Molecular Architecture.

Published in:

Macromolecular Chemistry & Physics, 2023, v. 224, n. 21, p. 1, doi. 10.1002/macp.202300208

By:

Zhu, Hanqi;
Li, Haipeng;
Zhang, Hao;
Yang, Jingfa;
Yan, Shouke;
Zhao, Jiang

Publication type:

Article

Influence of Steric Hindrance on Ferro‐ and Piezoelectric Performance of Poly(vinylidene fluoride)‐Based Ferroelectric Polymers.

Published in:

Macromolecular Chemistry & Physics, 2019, v. 220, n. 21, p. N.PAG, doi. 10.1002/macp.201900273

By:

Li, Zhong;
Liao, Jiani;
Xi, Ziting;
Zhu, Weiwei;
Zhang, Zhicheng

Publication type:

Article

Chlorination‐Supported Shrinkage of C60 Fullerene to Non‐classical C58 Cages.

Published in:

Chemistry - A European Journal, 2025, v. 31, n. 12, p. 1, doi. 10.1002/chem.202404598

By:

Brotsman, Victor A.;
Tamm, Nadezhda B.;
Kosaya, Maria P.;
Markov, Vitaliy Y.;
Goryunkov, Alexey A.;
Ioffe, Ilya N.;
Troyanov, Sergey I.

Publication type:

Article

Pathway‐dependent Metallosupramolecular Polymerization Regulated by Ligand Geometry.

Published in:

Chemistry - A European Journal, 2024, v. 30, n. 70, p. 1, doi. 10.1002/chem.202403287

By:

Sutar, Papri;
Maisuls, Iván;
Fernández, Zulema;
Strassert, Cristian A.;
Fernández, Gustavo

Publication type:

Article

Synthesis, Structures, and Properties for PIII‐Doped Hetero‐Buckybowls and Their Phosphonium Salts.

Published in:

Chemistry - A European Journal, 2024, v. 30, n. 68, p. 1, doi. 10.1002/chem.202402977

By:

Feng, Lijun;
Hua, Xinqiang;
Shang, Jihai;
Feng, Yawei;
Yuan, Chengshan;
Liu, Zitong;
Zhang, Hao‐Li;
Shao, Xiangfeng

Publication type:

Article

Surface Plasmon Resonance Allows to Correlate Molecular Properties With Diffusion Coefficients of Linear Chain Alcohols.

Published in:

Chemistry - A European Journal, 2024, v. 30, n. 56, p. 1, doi. 10.1002/chem.202402346

By:

Basile, Giuseppe Stefano;
Calcagno, Damiano;
Pandino, Irene;
Pietropaolo, Adriana;
Schifino, Gioacchino;
Tuccitto, Nunzio;
Zingale, Gabriele Antonio;
Grasso, Giuseppe

Publication type:

Article

Porphyrin Atropisomerism as a Molecular Engineering Tool in Medicinal Chemistry, Molecular Recognition, Supramolecular Assembly, and Catalysis.

Published in:

Chemistry - A European Journal, 2024, v. 30, n. 43, p. 1, doi. 10.1002/chem.202401559

By:

Maguire, Sophie;
Strachan, Grant;
Norvaiša, Karolis;
Donohoe, Claire;
Gomes‐da‐Silva, Lígia C.;
Senge, Mathias O.

Publication type:

Article

Overcrowded 14,14′‐Bidibenzo[a,j]anthracenes: Challenges in Syntheses and Atypical Property of Lacking Symmetry‐Breaking Charge Transfer (SBCT).

Published in:

Chemistry - A European Journal, 2024, v. 30, n. 36, p. 1, doi. 10.1002/chem.202401063

By:

Pan, Ming‐Lun;
Hsu, Chao‐Hsien;
Lin, Yan‐Ding;
Chen, Bo‐Han;
Lu, Chih‐Hsuan;
Yang, Shang‐Da;
Chou, Pi‐Tai;
Wu, Yao‐Ting

Publication type:

Article

Mimicking the Shape and Function of the ClC Chloride Channel Selective Pore by Combining a Molecular Hourglass Shape with Anion-π Interactions.

Published in:

Chemistry - A European Journal, 2024, v. 30, n. 22, p. 1, doi. 10.1002/chem.202304222

By:

Huang, Wen‐Long;
Wang, Xu‐Dong;
Ao, Yu‐Fei;
Wang, Qi‐Qiang;
Wang, De‐Xian

Publication type:

Article

Exploring the Theoretical Foundations of Thermally Activated Delayed Fluorescence (TADF) Emission: A Comprehensive TD‐DFT Study on Phenothiazine Systems.

Published in:

Chemistry - A European Journal, 2024, v. 30, n. 20, p. 1, doi. 10.1002/chem.202304206

By:

Banerjee, Moumita;
Anoop, Anakuthil

Publication type:

Article

A Three‐Dimensional Non‐Fullerene Acceptor with Contorted Hexabenzocoronene and Perylenediimide for Organic Solar Cells.

Published in:

Chemistry - A European Journal, 2024, v. 30, n. 17, p. 1, doi. 10.1002/chem.202304167

By:

Zhu, Xin;
Yang, Lei;
Pan, Yangyang;
Yang, Yuqin;
Ding, Xuming;
Wan, Chuanming;
Zhang, Zhuo;
Luo, Yun;
Zhou, Qinghai;
Wang, Liwei;
Xiao, Shengxiong

Publication type:

Article

Breaking Radial Dipole Symmetry in Planar Macrocycles Modulates Edge‐to‐Edge Packing and Disrupts Cofacial Stacking.

Published in:

Chemistry - A European Journal, 2024, v. 30, n. 8, p. 1, doi. 10.1002/chem.202302946

By:

Li, Yan;
Castillo, Henry D.;
Dobscha, James R.;
Morgan, Amanda R.;
Tait, Steven L.;
Flood, Amar H.

Publication type:

Article

Multifunctional Photoelectroactive Materials for Optoelectronic Applications Based on Thieno[3,4‐b]pyrazines and Thieno[1,2,5]thiadiazoles.

Published in:

Chemistry - A European Journal, 2024, v. 30, n. 7, p. 1, doi. 10.1002/chem.202303590

By:

Zangoli, Mattia;
Monti, Filippo;
Zanelli, Alberto;
Marinelli, Martina;
Flammini, Soraia;
Spallacci, Nicol;
Zakrzewska, Anna;
Lanzi, Massimiliano;
Salatelli, Elisabetta;
Pierini, Filippo;
Di Maria, Francesca

Publication type:

Article

Polymorphism‐driven Distinct Nanomechanical, Optical, Photophysical, and Conducting Properties in a Benzothiophene‐quinoline.

Published in:

Chemistry - A European Journal, 2024, v. 30, n. 7, p. 1, doi. 10.1002/chem.202303558

By:

Bejoymohandas, K. S.;
Redhu, Ashish;
Sharma, Chithra H.;
SeethaLekshmi, Sunil;
Divya, I. S.;
Kiran, M. S. R. N.;
Thalakulam, Madhu;
Monti, Filippo;
Nair, Rajesh V.;
Varughese, Sunil

Publication type:

Article

Cover Feature: Double Dynamic Structural Change Enabling Tricolor Chromism by the Realization of Apparent Two‐Electron Transfer to Skip the Open‐Shell State (Chem. Eur. J. 51/2023).

Published in:

Chemistry - A European Journal, 2023, v. 29, n. 51, p. 1, doi. 10.1002/chem.202302440

By:

Harimoto, Takashi;
Sugai, Yuka;
Sugawara, Kazuma;
Suzuki, Takanori;
Ishigaki, Yusuke

Publication type:

Article

Effect of Polymeric Ligand Grafting Region on Confined Assembly of Gold Nanorods in cylindrical nanopores.

Published in:

Chemistry - A European Journal, 2023, v. 29, n. 44, p. 1, doi. 10.1002/chem.202300955

By:

Li, Fan;
Gong, Xianxian;
Ren, Rui;
Xiong, Bijin;
Zhu, Jintao

Publication type:

Article

Tunable Macrocyclic Polyparaphenylene Nanolassos via Copper‐Free Click Chemistry.

Published in:

Chemistry - A European Journal, 2023, v. 29, n. 33, p. 1, doi. 10.1002/chem.202300668

By:

Schaub, Tobias A.;
Zieleniewska, Anna;
Kaur, Ramandeep;
Minameyer, Martin;
Yang, Wudi;
Schüßlbauer, Christoph M.;
Zhang, Lina;
Freiberger, Markus;
Zakharov, Lev N.;
Drewello, Thomas;
Dral, Pavlo O.;
Guldi, Dirk M.;
Jasti, Ramesh

Publication type:

Article

Oxanorbornene‐Fused Phenazine‐Pyrene Scaffolds with Different Configurations.

Published in:

Chemistry - A European Journal, 2023, v. 29, n. 32, p. 1, doi. 10.1002/chem.202203693

By:

Ye, Liping;
Miao, Qian

Publication type:

Article

Frontispiece: Tetraphenylethene‐Based cis/trans Isomers for Targeted Fluorescence Sensing and Biomedical Applications.

Published in:

Chemistry - A European Journal, 2023, v. 29, n. 30, p. 1, doi. 10.1002/chem.202383062

By:

Huang, Yanyan;
Zhang, Guanxin;
Zhao, Rui;
Zhang, Deqing

Publication type:

Article

Tetraphenylethene‐Based cis/trans Isomers for Targeted Fluorescence Sensing and Biomedical Applications.

Published in:

Chemistry - A European Journal, 2023, v. 29, n. 30, p. 1, doi. 10.1002/chem.202300539

By:

Huang, Yanyan;
Zhang, Guanxin;
Zhao, Rui;
Zhang, Deqing

Publication type:

Article

Molecular Shape, Electronic Factors, and the Ferroelectric Nematic Phase: Investigating the Impact of Structural Modifications.

Published in:

Chemistry - A European Journal, 2023, v. 29, n. 28, p. 1, doi. 10.1002/chem.202300073

By:

Tufaha, Naila;
Cruickshank, Ewan;
Pociecha, Damian;
Gorecka, Ewa;
Storey, John M.D.;
Imrie, Corrie T.

Publication type:

Article

Molecular Hinges by Fusion of Pyrrole and Dithiin: Synthesis, Structure, Redox Chemistry and Host–Guest Complexation of Dipyrrolo‐1,4‐dithiins.

Published in:

Chemistry - A European Journal, 2023, v. 29, n. 27, p. 1, doi. 10.1002/chem.202300101

By:

Lu, Zonghuan;
Liu, Hongyi;
Lv, Xinyuan;
Lv, Wanqian;
Liu, Yandie;
Zhu, Kelong

Publication type:

Article

Structural Engineering of Red Luminogens to Realize High Emission Efficiency through ACQ‐to‐AIE Transformation.

Published in:

Chemistry - A European Journal, 2023, v. 29, n. 26, p. 1, doi. 10.1002/chem.202300029

By:

Sun, Hua;
He, Tengfei;
Zhang, Chuchen;
Wang, Shifan;
Dong, Liming;
Li, Zhao;
Gu, Pei‐Yang;
Wang, Zhe;
Long, Guankui;
Zhang, Qichun

Publication type:

Article

Two Rings Around One Ball: Stability and Charge Localization of [1: 1] and [2: 1] Complex Ions of [10]CPP and C60/70.

Published in:

Chemistry - A European Journal, 2023, v. 29, n. 16, p. 1, doi. 10.1002/chem.202203734

By:

Freiberger, Markus;
Minameyer, Martin B.;
Solymosi, Iris;
Frühwald, Stefan;
Krug, Marcel;
Youzhi Xu;
Hirsch, Andreas;
Clark, Timothy;
Guldi, Dirk M.;
von Delius, Max;
Amsharov, Konstantin;
Görling, Andreas;
Pérez-Ojeda, M. Eugenia;
Drewello, Thomas

Publication type:

Article

Woven Polymer Networks: From Crystalline to Elastomeric Materials.

Published in:

Chemistry - A European Journal, 2023, v. 29, n. 8, p. 1, doi. 10.1002/chem.202203365

By:

Liu, Yuhang;
Yan, Xuzhou

Publication type:

Article

Stimulus‐Responsive Lanthanide MOF Materials Encapsulated with Viologen Derivatives: Characterization, Photophysical Properties and Sensing on Nitrophenols.

Published in:

Chemistry - A European Journal, 2023, v. 29, n. 4, p. 1, doi. 10.1002/chem.202202810

By:

Li, Hui‐Shu;
Xing, Shang‐Hua;
Xiao, Yao;
Wang, Chen;
Guan, Qing‐Lin;
Bai, Feng‐Ying;
Xing, Yong‐Heng;
Xu, Fen

Publication type:

Article

Synchrotron X‐ray Electron Density Analysis of Chemical Bonding in the Graphitic Carbon Nitride Precursor Melamine.

Published in:

Chemistry - A European Journal, 2022, v. 28, n. 54, p. 1, doi. 10.1002/chem.202201295

By:

Vosegaard, Emilie S.;
Thomsen, Maja K.;
Krause, Lennard;
Grønbech, Thomas B. E.;
Mamakhel, Aref;
Takahashi, Seiya;
Nishibori, Eiji;
Iversen, Bo B.

Publication type:

Article

Remote Effect from Boron Cluster: Tunable Photophysical Properties of o‐Carborane‐Based Luminogens.

Published in:

Chemistry - A European Journal, 2022, v. 28, n. 33, p. 1, doi. 10.1002/chem.202200303

By:

Guo, Lihao;
Yu, Xiao;
Du, Jiahui;
Li, Wei;
Bregadze, Vladimir;
Tu, Deshuang;
Lu, Changsheng;
Yan, Hong

Publication type:

Article

Fluoride-Bridged {GdIII3MIII2} (M=Cr, Fe, Ga) Molecular Magnetic Refrigerants.

Published in:

Angewandte Chemie, 2014, v. 126, n. 9, p. 2426, doi. 10.1002/ange.201308240

By:

Pedersen, Kasper S.;
Lorusso, Giulia;
Morales, Juan José;
Weyhermüller, Thomas;
Piligkos, Stergios;
Singh, Saurabh Kumar;
Larsen, Dennis;
Schau ‐ Magnussen, Magnus;
Rajaraman, Gopalan;
Evangelisti, Marco;
Bendix, Jesper

Publication type:

Article

Übergangsmetallkatalysierte C-C-Kupplungen mit Ethylen im Labormaßstab.

Published in:

Angewandte Chemie, 2013, v. 125, n. 43, p. 11414, doi. 10.1002/ange.201303916

By:

Saini, Vaneet;
Stokes, Benjamin J.;
Sigman, Matthew S.

Publication type:

Article

Hingeless Negative Linear Compression in the Mechanochromic Gold Complex [(C6F5Au)2(μ-1,4-diisocyanobenzene)].

Published in:

Angewandte Chemie, 2013, v. 125, n. 37, p. 9873, doi. 10.1002/ange.201302825

By:

Woodall, Christopher H.;
Beavers, Christine M.;
Christensen, Jeppe;
Hatcher, Lauren E.;
Intissar, Mourad;
Parlett, Andrew;
Teat, Simon J.;
Reber, Christian;
Raithby, Paul R.

Publication type:

Article

Influence of Molecular Geometry of Perylene Diimide Dimers and Polymers on Bulk Heterojunction Morphology Toward High-Performance Nonfullerene Polymer Solar Cells.

Published in:

Advanced Functional Materials, 2015, v. 25, n. 33, p. 5326, doi. 10.1002/adfm.201501971

By:

Wu, Chen‐Hao;
Chueh, Chu‐Chen;
Xi, Yu‐Yin;
Zhong, Hong‐Liang;
Gao, Guang‐Peng;
Wang, Zhao‐Hui;
Pozzo, Lilo D.;
Wen, Ten‐Chin;
Jen, Alex K.‐Y.

Publication type:

Article

Fused Thiophene Semiconductors: Crystal Structure-Film Microstructure Transistor Performance Correlations.

Published in:

Advanced Functional Materials, 2013, v. 23, n. 31, p. 3850, doi. 10.1002/adfm.201203439

By:

Youn, Jangdae;
Kewalramani, Sumit;
Emery, Jonathan D.;
Shi, Yanrong;
Zhang, Shiming;
Chang, Hsiu‐Chieh;
Liang, You‐jhih;
Yeh, Chia‐Ming;
Feng, Chieh‐Yuan;
Huang, Hui;
Stern, Charlotte;
Chen, Liang‐Hsiang;
Ho, Jia‐Chong;
Chen, Ming‐Chou;
Bedzyk, Michael J.;
Facchetti, Antonio;
Marks, Tobin J.

Publication type:

Article

Crystal growth, optoelectronic and biological properties of acetamidinium compounds: experimental and computational approaches.

Published in:

Journal of Materials Science: Materials in Electronics, 2023, v. 34, n. 3, p. 1, doi. 10.1007/s10854-022-09467-0

By:

Sudhakar, C.;
Munusamy, Saravanabhavan;
Shanmugam, Ramesh;
Muhammad, Shabbir;
Siddeeg, Saifeldin M.;
Badavath, Vishnu Nayak;
Sivakumar, Chandrasekar;
Sekar, M.

Publication type:

Article

Crystal growth and characterization of 2-amino-6-methylpyridinium p-chlorobenzoate dihydrate single crystal: a novel third-order nonlinear optical material for optoelectronic applications.

Published in:

Journal of Materials Science: Materials in Electronics, 2022, v. 33, n. 7, p. 4598, doi. 10.1007/s10854-021-07650-3

By:

Kaliammal, R.;
Parvathy, G.;
Ravi, G.;
Kumar, V. Mohan;
Kumar, M. Krishna;
Sudhahar, S.

Publication type:

Article

Spectroscopic and optoelectronic investigations of 3,8-bis(3,4-(ethylenedioxy)thien-2-yl)-1,10-phenanthroline.

Published in:

Journal of Materials Science: Materials in Electronics, 2022, v. 33, n. 1, p. 115, doi. 10.1007/s10854-021-07268-5

By:

Nehra, Kapeesha;
Dalal, Anuj;
Hooda, Anjli;
Singh, Devender;
Malik, Rajender Singh;
Kumar, Sumit

Publication type:

Article

Synthesis, spectroscopic, thermal analysis and quantum chemical calculation of a new third-order nonlinear optical material: N-allylthiourea.

Published in:

Journal of Materials Science: Materials in Electronics, 2021, v. 32, n. 11, p. 15364, doi. 10.1007/s10854-021-06086-z

By:

Deepa, C.;
Anbuchezhiyan, M.;
Arivazhagan, T.

Publication type:

Article