Works matching DE "INTERMOLECULAR interactions"

Results: 3433

Designing supramolecular pastes by controlling host–guest dynamics in reconfigurable networks.

Published in:

Nature Communications, 2025, v. 16, n. 1, p. 1, doi. 10.1038/s41467-025-63033-w

By:

Wang, Jinrong;
Lin, Weibin;
Nikolaeva, Valeriia O.;
Javaid, Rukhma;
Khashab, Niveen M.

Publication type:

Article

Thermodynamics of Molecular Transport Through a Nanochannel: Evidence of Energy–Entropy Compensation.

Published in:

International Journal of Molecular Sciences, 2025, v. 26, n. 15, p. 7277, doi. 10.3390/ijms26157277

By:

Eun, Changsun

Publication type:

Article

Supramolecular chiral inversion and regulation of phenylalanine-based organogels in low-polarity achiral solvents.

Published in:

Communications Chemistry, 2025, v. 8, n. 1, p. 1, doi. 10.1038/s42004-025-01650-8

By:

Zhang, Wannian;
Yu, Fang;
He, Yu-Peng

Publication type:

Article

Rationally Designed Asymmetric Pt─O─Cu Ligand to Stabilize Active Sites Towards Superior Industrial‐Standard Alkaline Hydrogen Evolution.

Published in:

Angewandte Chemie, 2025, v. 137, n. 33, p. 1, doi. 10.1002/ange.202510259

By:

Jiang, Minming;
Xu, Jiang;
Zhou, Qi;
Chen, Yujie;
Munroe, Paul;
Li, Linlin;
Xie, Zong‐Han;
Wu, Yuping;
Peng, Shengjie

Publication type:

Article

Molecular Bridging of Buried Interface Flattens Grain Boundary Grooves and Imparts Stress Relaxation for Performance Enhancement and UV Stability in Perovskite Solar Cells.

Published in:

Advanced Energy Materials, 2025, v. 15, n. 30, p. 1, doi. 10.1002/aenm.202501296

By:

Cheng, Wei;
Huang, Peng;
Gao, Zhijie;
Chen, Yansheng;
Ren, Linying;
Feng, Qingguo;
Liu, Xiaodong;
Ahmad, Shahzada;
Zhou, Zuowan

Publication type:

Article

Theoretical Study on the Fluorination of D-π-A-π Type Donors for Organic Solar Cells.

Published in:

Journal of Electronic Materials, 2025, v. 54, n. 9, p. 7528, doi. 10.1007/s11664-025-12099-9

By:

Zhang, Cai-Rong;
Ma, Li;
Wang, Yu;
Yu, Fan;
Gong, Ji-Jun;
Liu, Xiao-Meng;
Zhang, Mei-Ling;
Liu, Zi-Jiang;
Chen, Hong-Shan

Publication type:

Article

Front Cover: Fine‐Tuning the Motion of Tetrafluoro‐1,4‐Benzoquinone within Charge‐Transfer Cocrystals Through Variation of the Donor: An Entropic and Enthalpic Point of View.

Published in:

Chemistry - A European Journal, 2025, v. 31, n. 42, p. 1, doi. 10.1002/chem.202584101

By:

Navarro‐Huerta, Armando;
García‐Aguilera, Martha E.;
Blahut, Jan;
Bartůňková, Erika;
Toscano, Rubén A.;
Rodríguez, Mario;
Dračínský, Martin;
Rodríguez‐Molina, Braulio

Publication type:

Article

(Coulomb) Local potential energy density–supramolecular energy (LPED–SME) machine learning prediction—a web application to obtain the local SME from simple inputs.

Published in:

Canadian Journal of Chemistry, 2025, v. 103, n. 8, p. 444, doi. 10.1139/cjc-2025-0027

By:

Firme, Caio L.;
Boes, Elvis S.

Publication type:

Article

Design of a New Class of Mesoionic Compounds Based on Benzodioxolene Derivatives with Annulated 2-Aryl-1,3-dithiolium Moiety.

Published in:

Russian Journal of General Chemistry, 2025, v. 95, n. 7, p. 1804, doi. 10.1134/S1070363225602492

By:

Norkov, S. V.;
Makarov, S. G.;
Baranov, E. V.;
Fukin, G. K.;
Romanenko, G. V.;
Kuropatov, V. A.

Publication type:

Article

The role of the solvent molecule in the crystal packing arrangements of hydrated salts formed by ethacridine and fluorobenzoic acids.

Published in:

Acta Crystallographica Section B: Structural Science, Crystal Engineering & Materials, 2025, v. 81, n. 4, p. 395, doi. 10.1107/S2052520625004433

By:

Mirocki, Artur;
Lopresti, Mattia

Publication type:

Article

Spin‐State and Clustering Effects in Fe‐Complex Negolytes for Near‐Neutral Aqueous Redox Flow Batteries.

Published in:

Angewandte Chemie, 2025, v. 137, n. 32, p. 1, doi. 10.1002/ange.202505747

By:

Ko, Donghwi;
Kwon, Seongyeon;
Nedsaengtip, Jantakan;
Kim, Yohan;
Choi, Yunseop;
Kim, Dongwook;
Lyu, Xingyi;
Dixit, Ruchi;
Zhang, Yugang;
Li, Tao;
Seo, Jongcheol;
Baik, Mu‐Hyun;
Byon, Hye Ryung

Publication type:

Article

Breaking Bonds at Tin(II): Reductive or Oxidative Addition?

Published in:

Angewandte Chemie, 2025, v. 137, n. 32, p. 1, doi. 10.1002/ange.202503050

By:

Dietz, Maximilian;
Boronski, Josef T.;
Swarbrook, Amelia M.;
Aldridge, Simon

Publication type:

Article

Single‐Benzene Fluorophore with Enhanced Emission: Insights into Photophysical Properties through Proton Transfer Mapping.

Published in:

Chemistry - A European Journal, 2025, v. 31, n. 43, p. 1, doi. 10.1002/chem.202501178

By:

Fontes, Luís F. B.;
Rocha, João;
Silva, Artur M. S.;
Guieu, Samuel

Publication type:

Article

Solution structure of Titan-relevant aqueous ammonia by neutron diffraction.

Published in:

Communications Chemistry, 2025, v. 8, n. 1, p. 1, doi. 10.1038/s42004-025-01599-8

By:

Nasralla, Mazin;
Laurent, Harrison;
Alderman, Oliver L. G.;
Dougan, Lorna

Publication type:

Article

Human Rhinovirus Inhibition Through Capsid "Canyon" Perturbation: Structural Insights into The Role of a Novel Benzothiophene Derivative.

Published in:

Cell Biochemistry & Biophysics, 2020, v. 78, n. 1, p. 3, doi. 10.1007/s12013-019-00896-z

By:

Agoni, Clement;
Ramharack, Pritika;
Munsamy, Geraldene;
Soliman, Mahmoud E. S.

Publication type:

Article

A New Parameterization of an All-Atom Force Field for Cellulose.

Published in:

JOM: The Journal of The Minerals, Metals & Materials Society (TMS), 2021, v. 73, n. 8, p. 2335, doi. 10.1007/s11837-021-04732-9

By:

Charvati, Evangelia;
Zhao, Lingci;
Wu, Liang;
Sun, Huai

Publication type:

Article

Effects of N‐oxide on the thermal stability of energetic materials: A case study of 2,6‐Diamino‐3,5‐dinitropyrazine‐1‐oxide.

Published in:

Propellants, Explosives, Pyrotechnics, 2024, v. 49, n. 2, p. 1, doi. 10.1002/prep.202300209

By:

Yu, Qian;
Zhao, Chuande;
Liao, Longyu;
Li, Jianjun;
Yang, Fang;
Li, Gang;
Li, Jinshan

Publication type:

Article

3,5‐difluoro‐2,4,6‐trinitrophenol: A high‐energy compound born under the "NO2FNO2" construction strategy.

Published in:

Propellants, Explosives, Pyrotechnics, 2024, v. 49, n. 2, p. 1, doi. 10.1002/prep.202300184

By:

Zhu, Jin;
Li, Cong;
Jing, Suming;
Yang, Lei;
Liu, Yucun;
Zhang, Wei;
Zhang, Jun

Publication type:

Article

Simple Method for Prediction of the Standard Gibbs Free Energy of Formation of Energetic Compounds.

Published in:

Propellants, Explosives, Pyrotechnics, 2014, v. 39, n. 6, p. 815, doi. 10.1002/prep.201400032

By:

Keshavarz, Mohammad Hossein;
Pouretedal, Hamid Reza;
Ghaedsharafi, Ali Reza;
Taghizadeh, Seyed Ehsan

Publication type:

Article

The Effect of Intermolecular Interactions between Aromatic Ring‐Containing Insulators and Semiconductors in Pentacene Thin‐Film Transistors.

Published in:

Macromolecular Chemistry & Physics, 2024, v. 225, n. 1, p. 1, doi. 10.1002/macp.202300156

By:

Zhu, Jiufu;
Li, Shizhang;
Bai, Dacheng;
Pan, Dongye;
Zou, Jiawei;
Zheng, Yan;
Zhang, Bowen;
Hao, Xiaojuan;
Wang, Wei;
Shi, Zuosen;
Cui, Zhanchen

Publication type:

Article

Tunable Hairy and Crew‐Cut Supermicelles from Poly(N‐octyl glycine)‐Based Diblock Copolymer via a Hierarchical Assembly Strategy.

Published in:

Macromolecular Chemistry & Physics, 2023, v. 224, n. 24, p. 1, doi. 10.1002/macp.202300198

By:

Liu, Hao;
Ding, Xiangmin;
Liu, Tianli;
Sun, Jing

Publication type:

Article

How Probes Affect the Local Dynamics in Supercooled Liquid Revealed by Single Molecule Fluorescence Microscopy.

Published in:

Macromolecular Chemistry & Physics, 2023, v. 224, n. 21, p. 1, doi. 10.1002/macp.202300225

By:

Li, Haipeng;
Zhu, Hanqi;
Zhang, Hao;
Yan, Shouke

Publication type:

Article

Open Questions that Can Bridge Intermolecular Interactions and Macroscopic Wetting/Dewetting Behaviors of Thin Films.

Published in:

Macromolecular Chemistry & Physics, 2023, v. 224, n. 3, p. 1, doi. 10.1002/macp.202200375

By:

Petek, Evon S.;
Katsumata, Reika

Publication type:

Article

Stretchable Multicolor Emission of Polymer/Dye Blends Induced by Intermolecular Interaction and Solid‐State Aggregation.

Published in:

Macromolecular Chemistry & Physics, 2021, v. 222, n. 6, p. 1, doi. 10.1002/macp.202000428

By:

Ho, Jin‐Chieh;
Lin, Yan‐Cheng;
Chen, Wen‐Chang

Publication type:

Article

Molekulare Modellierung und Simulation in der Fluidverfahrenstechnik Molecular Modelling and Simulation in Fluid Process Engineering.

Published in:

Chemie Ingenieur Technik (CIT), 2014, v. 86, n. 7, p. 982, doi. 10.1002/cite.201400036

By:

Horsch, Martin;
Hasse, Hans

Publication type:

Article

Influence of the position of carbonyl group in ketones on their enthalpies of vaporization and saturated vapour pressures.

Published in:

Journal of Thermal Analysis & Calorimetry, 2024, v. 149, n. 24, p. 14913, doi. 10.1007/s10973-024-13816-y

By:

Samatov, Aizat A.;
Konyashin, Kirill S.;
Solomonov, Boris N.;
Nagrimanov, Ruslan N.

Publication type:

Article

Thermochemical analysis of intermolecular interactions of L-carnosine with isonicotinic acid in aqueous solutions.

Published in:

Journal of Thermal Analysis & Calorimetry, 2022, v. 147, n. 11, p. 6461, doi. 10.1007/s10973-021-10982-1

By:

Krutova, O. N.;
Usacheva, T. R.;
Myshenkov, M. S.;
Niccoli, M.;
Giancola, C.

Publication type:

Article

On the influence of fatty acid chain unsaturation on supramolecular gelation of aminocarbohydrate-based supra-amphiphiles.

Published in:

Journal of Thermal Analysis & Calorimetry, 2018, v. 134, n. 3, p. 1599, doi. 10.1007/s10973-018-7333-5

By:

Cassimiro, Douglas L.;
Ferreira, Leonardo M. B.;
de Souza, Ana Luiza R.;
Fonseca, Mariana;
Kurokawa, Suzy S. S.;
Alonso, Jovan D.;
Sarmento, Victor Hugo V.;
Ribeiro, Clovis Augusto

Publication type:

Article

Thermal performance and decomposition kinetics of RDX/AP/SiO2 intermolecular explosive.

Published in:

Journal of Thermal Analysis & Calorimetry, 2018, v. 132, n. 3, p. 1969, doi. 10.1007/s10973-018-7049-6

By:

Li, Guo-ping;
Ni, Zhi-cheng;
Liu, Ya-zhong;
Xia, Min;
Luo, Yun-jun

Publication type:

Article

High-pressure densities and derived properties of binary {methyl tert-butyl ether (MTBE) + alcohols} mixtures.

Published in:

Journal of Thermal Analysis & Calorimetry, 2018, v. 132, n. 1, p. 667, doi. 10.1007/s10973-017-6874-3

By:

Hauk, Daniel B.;
Torres, Ricardo B.

Publication type:

Article

Thermal analysis in foundry technology.

Published in:

Journal of Thermal Analysis & Calorimetry, 2017, v. 130, n. 1, p. 301, doi. 10.1007/s10973-017-6506-y

By:

Grabowska, Beata;
Hodor, Krzysztof;
Kaczmarska, Karolina;
Bobrowski, Artur;
Kurleto-Kozioł, Żaneta;
Fischer, Carolin

Publication type:

Article

Hydrophobic modification of activated carbon using stearyl chloride for enhanced VOCs adsorption under high-humidity conditions.

Published in:

Journal of Materials Science, 2025, v. 60, n. 25, p. 10269, doi. 10.1007/s10853-025-11059-2

By:

Liu, Nan;
Zhang, Ji-guo;
Guo, Ji-feng;
Zhang, Xin;
Ping, Zhao-li;
Wang, Shao-bo;
Fu, Gao-feng;
Chen, Di-ming;
Hu, Jia-jun;
Wang, Wen-Juan;
Li, Ji-xiang

Publication type:

Article

Experimental investigation and simulations of the microstructure and actuation performance of PVC gels with varying plasticizers.

Published in:

Journal of Materials Science, 2025, v. 60, n. 12, p. 5634, doi. 10.1007/s10853-025-10790-0

By:

Li, Shuxia;
Huang, Jianjian;
Xiao, Haokun;
Liang, Xianrong;
Wang, Mengmeng;
Li, Maoyuan;
Jin, Gang

Publication type:

Article

Adsorption and release of diphenhydraminium ibuprofenate from SBA-15 and MCM-41 explained by intermolecular interactions.

Published in:

Journal of Materials Science, 2023, v. 58, n. 16, p. 6998, doi. 10.1007/s10853-023-08457-9

By:

Vieira, Jean C. B.;
Priebe, Vithória E.;
Wust, Keli M.;
Benvenuti, Edilson V.;
Villetti, Marcos A.;
Bender, Caroline R.;
Frizzo, Clarissa P.

Publication type:

Article

Synthesis of trimethylene carbonate/ε-caprolactone copolymers initiated with zinc alkoxide: influence of copolymer chain microstructure on thermal and mechanical properties.

Published in:

Polymer International, 2017, v. 66, n. 9, p. 1259, doi. 10.1002/pi.5379

By:

Pastusiak, Malgorzata;
Dobrzynski, Piotr;
Kasperczyk, Janusz;
Sobota, Michal;
Kaczmarczyk, Bozena;
Janeczek, Henryk

Publication type:

Article

Influence of molar mass on the thermal properties, conductivity and intermolecular interaction of poly(ethylene oxide) solid polymer electrolytes.

Published in:

Polymer International, 2017, v. 66, n. 6, p. 830, doi. 10.1002/pi.5322

By:

Harun, Fatin;
Chan, Chin Han;
Winie, Tan

Publication type:

Article

Investigation of the thin film crystallization of a DNA copolymer hybrid composed of chitosan.

Published in:

Polymer International, 2016, v. 65, n. 10, p. 1165, doi. 10.1002/pi.5165

By:

Safir, Ilyès;
Chami, Mohamed;
Buergi, Thomas;
Nardin, Corinne

Publication type:

Article

Flow behavior of hydroxypropyl methyl cellulose/polyacrylic acid interpolymer complexes in aqueous media.

Published in:

Polymer International, 2012, v. 61, n. 12, p. 1751, doi. 10.1002/pi.4266

By:

Şakar-Deliormanli, Aylin

Publication type:

Article

Driving forces for chymosin partitioning on the macromolecule-salt aqueous two phase system.

Published in:

Food & Bioproducts Processing: Transactions of the Institution of Chemical Engineers Part C, 2016, v. 100, n. Part A, p. 361, doi. 10.1016/j.fbp.2016.08.010

By:

Rengifo, Andrés F. Chamorro;
Ferreira, Gabriel M. Dias;
Ferreira, Guilherme M. Dias;
da Silva, Maria C. Hespanhol;
de Paula Rezende, Jaqueline;
dos Santos Pires, Ana Clarissa;
da Silva, Luis Henrique Mendes

Publication type:

Article

Structural Properties of Phenylalanine-Based Dimers Revealed Using IR Action Spectroscopy.

Published in:

Molecules, 2022, v. 27, n. 7, p. 2367, doi. 10.3390/molecules27072367

By:

Stroganova, Iuliia;
Bakels, Sjors;
Rijs, Anouk M.

Publication type:

Article

Revealing Intra- and Intermolecular Interactions Determining Physico-Chemical Features of Selected Quinolone Carboxylic Acid Derivatives.

Published in:

Molecules, 2022, v. 27, n. 7, p. 2299, doi. 10.3390/molecules27072299

By:

Wojtkowiak, Kamil;
Jezierska, Aneta;
Panek, Jarosław J.

Publication type:

Article

Intermolecular Vibration Energy Transfer Process in Two CL-20-Based Cocrystals Theoretically Revealed by Two-Dimensional Infrared Spectra.

Published in:

Molecules, 2022, v. 27, n. 7, p. 2153, doi. 10.3390/molecules27072153

By:

Ren, Hai-Chao;
Ji, Lin-Xiang;
Chen, Tu-Nan;
Jia, Xian-Zhen;
Liu, Rui-Peng;
Zhang, Xiu-Qing;
Wei, Dong-Qing;
Wang, Xiao-Feng;
Ji, Guang-Fu

Publication type:

Article

Tuning Photophysical Properties by p -Functional Groups in Zn(II) and Cd(II) Complexes with Piperonylic Acid.

Published in:

Molecules, 2022, v. 27, n. 4, p. 1365, doi. 10.3390/molecules27041365

By:

Sánchez-Férez, Francisco;
Rius-Bartra, Joaquim Mª;
Ayllón, José A.;
Calvet, Teresa;
Font-Bardia, Mercè;
Pons, Josefina

Publication type:

Article

Identification of α-Glucosidase Inhibitors from Scutellaria edelbergii : ESI-LC-MS and Computational Approach.

Published in:

Molecules, 2022, v. 27, n. 4, p. 1322, doi. 10.3390/molecules27041322

By:

Shah, Muddaser;
Rahman, Hazir;
Khan, Ajmal;
Bibi, Shabana;
Ullah, Obaid;
Ullah, Saeed;
Ur Rehman, Najeeb;
Murad, Waheed;
Al-Harrasi, Ahmed

Publication type:

Article

Synthesis, X-ray Structure, Hirshfeld, DFT and Biological Studies on a Quinazolinone-Nitrate Complex.

Published in:

Molecules, 2022, v. 27, n. 3, p. 1089, doi. 10.3390/molecules27031089

By:

Fathalla, Eman M.;
Altowyan, Mezna Saleh;
Albering, Jörg H.;
Barakat, Assem;
Abu-Youssef, Morsy A. M.;
Soliman, Saied M.;
Badr, Ahmed M. A.

Publication type:

Article

A Comprehensive In Silico Exploration of Pharmacological Properties, Bioactivities, Molecular Docking, and Anticancer Potential of Vieloplain F from Xylopia vielana Targeting B-Raf Kinase.

Published in:

Molecules, 2022, v. 27, n. 3, p. 917, doi. 10.3390/molecules27030917

By:

Hassan, Syed Shams ul;
Abbas, Syed Qamar;
Ali, Fawad;
Ishaq, Muhammad;
Bano, Iqra;
Hassan, Mubashir;
Jin, Hui-Zi;
Bungau, Simona G.

Publication type:

Article

Exploring Intra- and Intermolecular Interactions in Selected N -Oxides—The Role of Hydrogen Bonds.

Published in:

Molecules, 2022, v. 27, n. 3, p. 792, doi. 10.3390/molecules27030792

By:

Jezierska, Aneta;
Panek, Jarosław J.;
Błaziak, Kacper;
Raczyński, Kamil;
Koll, Aleksander

Publication type:

Article

The Effect of Deoxyfluorination on Intermolecular Interactions in the Crystal Structures of 1,6-Anhydro-2,3-epimino-hexopyranoses.

Published in:

Molecules, 2022, v. 27, n. 1, p. 278, doi. 10.3390/molecules27010278

By:

Jakubec, Martin;
Císařová, Ivana;
Karban, Jindřich;
Sýkora, Jan

Publication type:

Article

Columnar Aggregates of Azobenzene Stars: Exploring Intermolecular Interactions, Structure, and Stability in Atomistic Simulations.

Published in:

Molecules, 2021, v. 26, n. 24, p. 7598, doi. 10.3390/molecules26247598

By:

Koch, Markus;
Saphiannikova, Marina;
Guskova, Olga

Publication type:

Article

Energetic Co-Crystal of a Primary Metal-Free Explosive with BTF. Ideal Pair for Co-Crystallization.

Published in:

Molecules, 2021, v. 26, n. 24, p. 7452, doi. 10.3390/molecules26247452

By:

Suponitsky, Kyrill Yu.;
Fedyanin, Ivan V.;
Karnoukhova, Valentina A.;
Zalomlenkov, Vladimir A.;
Gidaspov, Alexander A.;
Bakharev, Vladimir V.;
Sheremetev, Aleksei B.

Publication type:

Article