Works matching DE "BINDING energy"

Results: 5000

Multiple integrated computational approach to analyse wound healing potential of Symplocos racemosa bark as Matrix metalloproteinase inhibitors.

Published in:

Natural Product Research, 2025, v. 39, n. 11, p. 3043, doi. 10.1080/14786419.2024.2321488

By:

Rafey, Hafiz Abdul;
Amin, Adnan;
Ross, Samir Anis;
El-Shazly, Mohamed;
Zahid, Muhammad Ammar;
Niaz, Shah Iram;
Ul Mahmood, Fakhar;
Ullah, Hammad

Publication type:

Article

A Complete Energy Model for Graphene Flake Growth with the Fewest Possible Dangling Bonds.

Published in:

Nanomaterials (2079-4991), 2025, v. 15, n. 10, p. 723, doi. 10.3390/nano15100723

By:

Grozev, Ivan G.;
Kalchevski, Dobromir A.;
Trifonov, Dimitar V.;
Kolev, Stefan K.;
Aleksandrov, Hristiyan A.;
Popov, Valentin N.;
Milenov, Teodor I.

Publication type:

Article

Investigation of a Novel Depressant for Flotation Separation of Chalcopyrite and Galena: Experiments and Adsorption Mechanisms.

Published in:

Minerals (2075-163X), 2025, v. 15, n. 5, p. 454, doi. 10.3390/min15050454

By:

Zeng, Hong;
Liu, Chongjun;
Lu, Tong;
Gao, Zehui;
Zhu, Yangge;
Sun, Chuanyao;
Zhao, Zhiqiang;
Wu, Guiye;
Li, Ruidong;
Hu, Jun

Publication type:

Article

Emergent 2D van der Waals materials photonic sources.

Published in:

Nanophotonics (21928606), 2025, v. 14, n. 10, p. 1475, doi. 10.1515/nanoph-2024-0702

By:

Tang, Kwok Kwan;
Li, Chun;
Zhu, Changhai;
Li, Peipei;
Zhao, Liyun;
Zhang, Qing

Publication type:

Article

Discovery and Functional Validation of EP3 Receptor Ligands with Therapeutic Potential in Cardiovascular Disease.

Published in:

International Journal of Molecular Sciences, 2025, v. 26, n. 10, p. 4879, doi. 10.3390/ijms26104879

By:

Alonso-Fernández, Jorge-Ricardo;
Montoro-García, Silvia;
Cruz, Andreia-Filipa;
Ponce-Valencia, Alicia;
Carmena-Bargueño, Miguel;
Pérez-Sánchez, Horacio

Publication type:

Article

P5+‐ Enhanced Novel Samarium Niobate Ultralow‐Loss Microwave Ceramics as Dielectric Resonator for X‐Band Antenna Applications.

Published in:

Advanced Functional Materials, 2025, v. 35, n. 22, p. 1, doi. 10.1002/adfm.202421225

By:

Wu, Fang‐Fang;
Sun, Ruixin;
Du, Chao;
Xu, Diming;
Jin, Biao‐Bing;
Li, Chun;
Jantunen, Heli;
Zhou, Di

Publication type:

Article

Structural and Optical Properties of Defected and Exotic Calcium Monochalcogenide Nanoparticles: Insights from DFT and TD-DFT Calculations.

Published in:

Crystals (2073-4352), 2025, v. 15, n. 5, p. 392, doi. 10.3390/cryst15050392

By:

Moustris, Panagiotis G.;
Chronis, Alexandros G.;
Michos, Fotios I.;
Aravantinos-Zafiris, Nikos;
Sigalas, Mihail M.

Publication type:

Article

First-Principles Investigation of the Structural, Magnetic, and Electronic Properties of Janus MXene Material CrScCO 2.

Published in:

Coatings (2079-6412), 2025, v. 15, n. 5, p. 580, doi. 10.3390/coatings15050580

By:

Huang, Haishen;
Liu, Xiaoying;
Sun, Li;
Shang, Zhenzhen;
Zhou, Tingyan;
Li, Ping;
Wu, Bo

Publication type:

Article

Glutamate receptor ion channels: where do all the calories go?

Published in:

2011

By:

Mayer, Mark L.

Publication type:

Opinion

SYMMETRY ASPECTS OF FISSION FRAGMENT MASS DISTRIBUTION IN 238U(18O,F) REACTION.

Published in:

Revista Cubana de Física, 2020, v. 37, n. 1, p. 44

By:

GUPTA, R.

Publication type:

Article

EL UMBRAL DE INESTABILIDAD ANIÓNICA EN ÁTOMOS.

Published in:

Revista Cubana de Física, 2016, v. 33, n. 2, p. 77

By:

LEóN VAlIDO, DARIO A.;
GIL, GABRIEL;
GONZÁLEZBY, AUGUSTO

Publication type:

Article

BUTYRIC ACID INTERACTION WITH CARBON NANOTUBES: MODELING BY A SEMI-EMPIRICAL APPROACH.

Published in:

Revista Cubana de Física, 2013, v. 30, n. 2, p. 72

By:

AL-ANBER, M. J.

Publication type:

Article

Insights into the Effects of Co-doping on the Electronic Properties of Armchair Graphene Nanoribbon-based NO2 Gas Sensors.

Published in:

Journal of Electronic Materials, 2025, v. 54, n. 1, p. 300, doi. 10.1007/s11664-024-11539-2

By:

Solanki, Kamal;
Kesharwani, Prachi;
Majumder, Manoj Kumar

Publication type:

Article

First-Principles Study of Monolayer GeTe and the Effect of External Strain and Electric Field.

Published in:

Journal of Electronic Materials, 2025, v. 54, n. 1, p. 718, doi. 10.1007/s11664-024-11530-x

By:

Zhuang, Qinqin;
Chen, Haonan;
Xiong, Feibing

Publication type:

Article

Defect Engineering in Diamond-Based Semiconductors: Exploring the Role of Lithium Vacancy Defects.

Published in:

Journal of Electronic Materials, 2024, v. 53, n. 10, p. 6269, doi. 10.1007/s11664-024-11317-0

By:

Almutairi, Tahani Saad

Publication type:

Article

The Impact of Different Metal Dopants on the Structural, Dielectric, and Electrical Characteristics of Bentonite: Electrical Measurements Supported by Tight-Binding Calculations.

Published in:

Journal of Electronic Materials, 2024, v. 53, n. 8, p. 4696, doi. 10.1007/s11664-024-11196-5

By:

Bashal, Ali H.

Publication type:

Article

Interweaving in/on the Air: A Scripted Synthesis of Indigenous and Settler Knowledges for Environmental Protection in Resource Development.

Published in:

Qualitative Inquiry, 2021, v. 27, n. 8/9, p. 1072, doi. 10.1177/1077800421998296

By:

Takach, Geo

Publication type:

Article

Photocatalytic decomposition of methylene blue by Cr/TiO2 composite coatings.

Published in:

Surface Engineering, 2021, v. 37, n. 4, p. 472, doi. 10.1080/02670844.2020.1742990

By:

Shi, Y.J.;
Li, J.W.;
Wang, X.Y.;
Chen, X.B.;
Yu, Z.P.

Publication type:

Article

A New Pair of Donor–Acceptor Markers for Immunoassay: A Porphyrin–Cyanine Dye. Energy Transfer in Solutions and Langmuir Films.

Published in:

Doklady Biochemistry & Biophysics, 2002, v. 386, n. 1-6, p. 268, doi. 10.1023/A:1020763728836

By:

Chudinova, G. K.;
Nagovitsyn, I. A.;
Chudinov, A. V.;
Savransky, V. V.;
Prokhorov, A. M.

Publication type:

Article

Cranking Up Chemistry Calculations.

Published in:

Bio-IT World, 2004, v. 3, n. 1, p. 12

By:

Williams, Martyn

Publication type:

Article

Assembling Artificial Photosynthetic Models in Water Using β‐Cyclodextrin‐Conjugated Phthalocyanines as Building Blocks.

Published in:

Chemistry - A European Journal, 2023, v. 29, n. 36, p. 1, doi. 10.1002/chem.202300709

By:

Chen, Xiao‐Fei;
Gobeze, Habtom B.;
D'Souza, Francis;
P. Ng, Dennis K.

Publication type:

Article

A pH‐ and Metal‐Actuated Molecular Shuttle in Water.

Published in:

Chemistry - A European Journal, 2023, v. 29, n. 33, p. 1, doi. 10.1002/chem.202300633

By:

Kriat, Amine;
Pascal, Simon;
Kauffmann, Brice;
Ferrand, Yann;
Bergé‐Lefranc, David;
Gigmes, Didier;
Siri, Olivier;
Kermagoret, Anthony;
Bardelang, David

Publication type:

Article

Discovery of Complex Binding and Reaction Mechanisms from Ternary Gases in Rare Earth Metal–Organic Frameworks.

Published in:

Chemistry - A European Journal, 2022, v. 28, n. 58, p. 1, doi. 10.1002/chem.202201926

By:

Christian, Matthew S.;
Nenoff, Tina M.;
Rimsza, Jessica M.

Publication type:

Article

The Role of Packing, Dispersion, Electrostatics, and Solvation in High‐Affinity Complexes of Cucurbit[n]urils with Uncharged Polar Guests.

Published in:

Chemistry - A European Journal, 2022, v. 28, n. 38, p. 1, doi. 10.1002/chem.202200529

By:

Grimm, Laura M.;
Spicher, Sebastian;
Tkachenko, Boryslav;
Schreiner, Peter R.;
Grimme, Stefan;
Biedermann, Frank

Publication type:

Article

2‐Aminoalkylgold Complexes: The Putative Intermediate in Au‐Catalyzed Hydroamination of Alkenes Does Not Protodemetalate.

Published in:

Chemistry - A European Journal, 2022, v. 28, n. 38, p. 1, doi. 10.1002/chem.202200332

By:

Gubler, Joël;
Radić, Mitar;
Stöferle, Yannick;
Chen, Peter

Publication type:

Article

A Photoresponsive Receptor with a 105 Magnitude of Reversible Anion‐Binding Switching.

Published in:

Chemistry - A European Journal, 2022, v. 28, n. 26, p. 1, doi. 10.1002/chem.202200719

By:

Einkauf, Jeffrey D.;
Bryantsev, Vyacheslav S.;
Moyer, Bruce A.;
Custelcean, Radu

Publication type:

Article

Controlling the Dual‐Emission Character of Aryl‐Modified o‐Carboranes by Intramolecular CH⋅⋅⋅O Interaction Sites.

Published in:

Chemistry - A European Journal, 2022, v. 28, n. 20, p. 1, doi. 10.1002/chem.202200155

By:

Ochi, Junki;
Yuhara, Kazuhiro;
Tanaka, Kazuo;
Chujo, Yoshiki

Publication type:

Article

The Decisive Role of Spin States and Spin Coupling in Dictating Selective O2 Adsorption in Chromium(II) Metal–Organic Frameworks**.

Published in:

Chemistry - A European Journal, 2022, v. 28, n. 18, p. 1, doi. 10.1002/chem.202104526

By:

Jose, Reshma;
Kancharlapalli, Srinivasu;
Ghanty, Tapan K.;
Pal, Sourav;
Rajaraman, Gopalan

Publication type:

Article

Binding Interactions in Copper, Silver and Gold π‐Complexes.

Published in:

Chemistry - A European Journal, 2022, v. 28, n. 13, p. 1, doi. 10.1002/chem.202103984

By:

Mehara, Jaya;
Watson, Brandon T.;
Noonikara‐Poyil, Anurag;
Zacharias, Adway O.;
Roithová, Jana;
Rasika Dias, H. V.

Publication type:

Article

Bulk Mn2+ Doped 1D Hybrid Lead Halide Perovskite with Highly Efficient, Tunable and Stable Broadband Light Emissions.

Published in:

Chemistry - A European Journal, 2022, v. 28, n. 6, p. 1, doi. 10.1002/chem.202103043

By:

Jing, Chang‐Qing;
Yin, Xu;
Xiao, Pan‐Chao;
Gao, Yu‐Jia;
Wu, Xiao‐Min;
Yue, Cheng‐Yang;
Lei, Xiao‐Wu

Publication type:

Article

PTFE/EP Reinforced MOF/SiO2 Composite as a Superior Mechanically Robust Superhydrophobic Agent towards Corrosion Protection, Self‐Cleaning and Anti‐Icing.

Published in:

Chemistry - A European Journal, 2022, v. 28, n. 2, p. 1, doi. 10.1002/chem.202103220

By:

Hussain, Muhammad Muzammal;
Majeed, Muhammad K.;
Ma, Haitao;
Wang, Yunpeng;
Saleem, Adil;
Lotfi, Mina

Publication type:

Article

Exploring the Influence of Intermolecular Interactions in Prebiotic Chemistry Using Laser Spectroscopy and Calculations.

Published in:

Chemistry - A European Journal, 2022, v. 28, n. 1, p. 1, doi. 10.1002/chem.202103636

By:

Camiruaga, Ander;
Usabiaga, Imanol;
Calabrese, Camilla;
Lamas, Iker;
Basterretxea, Francisco J.;
Fernández, José A.

Publication type:

Article

Synergistic Effects of Co and Fe on the Oxygen Evolution Reaction Activity of LaCoxFe1−xO3.

Published in:

Chemistry - A European Journal, 2021, v. 27, n. 68, p. 17145, doi. 10.1002/chem.202102829

By:

Füngerlings, Achim;
Koul, Adarsh;
Dreyer, Maik;
Rabe, Anna;
Morales, Dulce M.;
Schuhmann, Wolfgang;
Behrens, Malte;
Pentcheva, Rossitza

Publication type:

Article

Halogen Bonding Propensity in Solution: Direct Observation and Computational Prediction.

Published in:

Chemistry - A European Journal, 2021, v. 27, n. 62, p. 15472, doi. 10.1002/chem.202102522

By:

Bramlett, Taylor A.;
Matzger, Adam J.

Publication type:

Article

Imidazolium‐Functionalized Chemically Robust Ionic Porous Organic Polymers (iPOPs) toward Toxic Oxo‐Pollutants Capture from Water.

Published in:

Chemistry - A European Journal, 2021, v. 27, n. 53, p. 13442, doi. 10.1002/chem.202102399

By:

Sen, Arunabha;
Dutta, Subhajit;
Dam, Gourab K.;
Samanta, Partha;
Let, Sumanta;
Sharma, Shivani;
Shirolkar, Mandar M.;
Ghosh, Sujit K.

Publication type:

Article

Experimental and Computational Models for Side Chain Discrimination in Peptide–Protein Interactions.

Published in:

Chemistry - A European Journal, 2021, v. 27, n. 42, p. 10883, doi. 10.1002/chem.202100890

By:

Lidskog, Anna;
Dawaigher, Sami;
Solano Arribas, Carlos;
Ryberg, Anna;
Jensen, Jacob;
Bergquist, Karl Erik;
Sundin, Anders;
Norrby, Per‐Ola;
Wärnmark, Kenneth

Publication type:

Article

How Does Bridging Core Modification Alter the Photovoltaic Characteristics of Triphenylamine‐Based Hole Transport Materials? Theoretical Understanding and Prediction.

Published in:

Chemistry - A European Journal, 2021, v. 27, n. 12, p. 4197, doi. 10.1002/chem.202004299

By:

Janjua, Muhammad Ramzan Saeed Ashraf

Publication type:

Article

Insight into the Folding and Cooperative Multi‐Recognition Mechanism in Supramolecular Anion‐Binding Catalysis.

Published in:

Chemistry - A European Journal, 2020, v. 26, n. 72, p. 17598, doi. 10.1002/chem.202003994

By:

Piekarski, Dariusz G.;
Steinforth, Pascal;
Gómez‐Martínez, Melania;
Bamberger, Julia;
Ostler, Florian;
Schönhoff, Monika;
García Mancheño, Olga

Publication type:

Article

The CH–π Interaction in Protein–Carbohydrate Binding: Bioinformatics and In Vitro Quantification.

Published in:

Chemistry - A European Journal, 2020, v. 26, n. 47, p. 10769, doi. 10.1002/chem.202000593

By:

Houser, Josef;
Kozmon, Stanislav;
Mishra, Deepti;
Hammerová, Zuzana;
Wimmerová, Michaela;
Koča, Jaroslav

Publication type:

Article

Investigation of Cycloparaphenylenes (CPPs) and their Noncovalent Ring‐in‐Ring and Fullerene‐in‐Ring Complexes by (Matrix‐Assisted) Laser Desorption/Ionization and Density Functional Theory.

Published in:

Chemistry - A European Journal, 2020, v. 26, n. 40, p. 8729, doi. 10.1002/chem.202001503

By:

Minameyer, Martin B.;
Xu, Youzhi;
Frühwald, Stefan;
Görling, Andreas;
Delius, Max;
Drewello, Thomas

Publication type:

Article

N‐Doped Graphdiyne Coating for Dendrite‐Free Lithium Metal Batteries.

Published in:

Chemistry - A European Journal, 2020, v. 26, n. 24, p. 5434, doi. 10.1002/chem.201905618

By:

Shang, Hong;
Gu, Yu;
Wang, Yingbin;
Zuo, Zicheng

Publication type:

Article

Analyzing the Case for Bifunctional Catalysis.

Published in:

Angewandte Chemie, 2016, v. 128, n. 17, p. 5296, doi. 10.1002/ange.201601049

By:

Andersen, Mie;
Medford, Andrew J.;
Nørskov, Jens K.;
Reuter, Karsten

Publication type:

Article

A Two-Dimensional Zirconium Carbide by Selective Etching of Al3C3 from Nanolaminated Zr3Al3C5.

Published in:

Angewandte Chemie, 2016, v. 128, n. 16, p. 5092, doi. 10.1002/ange.201510432

By:

Zhou, Jie;
Zha, Xianhu;
Chen, Fan Y.;
Ye, Qun;
Eklund, Per;
Du, Shiyu;
Huang, Qing

Publication type:

Article

Semiconducting Group 15 Monolayers: A Broad Range of Band Gaps and High Carrier Mobilities.

Published in:

Angewandte Chemie, 2016, v. 128, n. 5, p. 1698, doi. 10.1002/ange.201507568

By:

Zhang, Shengli;
Xie, Meiqiu;
Li, Fengyu;
Yan, Zhong;
Li, Yafei;
Kan, Erjun;
Liu, Wei;
Chen, Zhongfang;
Zeng, Haibo

Publication type:

Article

Vibrational Spectroscopy of the Dehydrogenated Uracil Radical by Autodetachment of Dipole-Bound Excited States of Cold Anions.

Published in:

Angewandte Chemie, 2014, v. 126, n. 9, p. 2496, doi. 10.1002/ange.201310323

By:

Liu, Hong ‐ Tao;
Ning, Chuan ‐ Gang;
Huang, Dao ‐ Ling;
Wang, Lai ‐ Sheng

Publication type:

Article

Synthesis of a [2]Catenane from the Sodium Ion Templated Orthogonal Arrangement of Two Diethylene Glycol Chains.

Published in:

Angewandte Chemie, 2013, v. 125, n. 50, p. 13511, doi. 10.1002/ange.201307640

By:

Tung, Shun ‐ Te;
Lai, Chien ‐ Chen;
Liu, Yi ‐ Hung;
Peng, Shie ‐ Ming;
Chiu, Sheng ‐ Hsien

Publication type:

Article

Hierarchical self-assembly of fractals with signal-passing tiles.

Published in:

Natural Computing, 2018, v. 17, n. 1, p. 47, doi. 10.1007/s11047-017-9663-9

By:

Hendricks, Jacob;
Olsen, Meagan;
Patitz, Matthew J.;
Rogers, Trent A.;
Thomas, Hadley

Publication type:

Article

Electronic band-structure and optical constants of Pb2GeS4: Ab initio calculations and X-ray spectroscopy experiments.

Published in:

Journal of Materials Science: Materials in Electronics, 2018, v. 29, n. 18, p. 16088, doi. 10.1007/s10854-018-9698-4

By:

Vu, Tuan V.;
Lavrentyev, A. A.;
Gabrelian, B. V.;
Ananchenko, L. N.;
Parasyuk, O. V.;
Karaim, Olha;
Khyzhun, O. Y.

Publication type:

Article

Ag nanoparticles decorated ZnO nanoarrays with enhanced surface-enhanced Raman scattering and field emission property.

Published in:

Journal of Materials Science: Materials in Electronics, 2017, v. 28, n. 21, p. 16233, doi. 10.1007/s10854-017-7526-x

By:

Li, Fei;
Wu, Shumao;
Zhang, Liangji;
Li, Zhen

Publication type:

Article

VV and VO defects in silicon studied with hybrid density functional theory.

Published in:

Journal of Materials Science: Materials in Electronics, 2015, v. 26, n. 3, p. 1568, doi. 10.1007/s10854-014-2576-9

By:

Christopoulos, S.-R.;
Wang, H.;
Chroneos, A.;
Londos, C.;
Sgourou, E.;
Schwingenschlögl, U.

Publication type:

Article