Works matching DE "ATOMIC interactions"

Results: 287

Disentangling Radiative and Non‐Radiative Deactivation Pathways in CuI ‐Based TADF Emitters.

Published in:

Angewandte Chemie, 2025, v. 137, n. 19, p. 1, doi. 10.1002/ange.202501407

By:

Llanos, Leonel;
Staforelli, Sebastian;
Oliver, Allen G.;
Moscoso, Francisco G.;
Wannemacher, Reinhold;
Cabanillas‐Gonzalez, Juan;
Lemus, Luis;
Aravena, Daniel

Publication type:

Article

Transferable machine learning model for multi-target nanoscale simulations in hydrogen-carbon system from crystal to amorphous.

Published in:

NPJ Computational Materials, 2025, v. 11, n. 1, p. 1, doi. 10.1038/s41524-025-01629-y

By:

Chen, Weiqi;
Xu, Zhiyue;
Wang, Kang;
Gao, Lei;
Song, Aisheng;
Ma, Tianbao

Publication type:

Article

Analysis of the effect of nonlocal factors on the vibration characteristics of Euler–Bernoulli nonlocal nanobeams on deformed foundations.

Published in:

Archive of Applied Mechanics, 2025, v. 95, n. 3, p. 1, doi. 10.1007/s00419-025-02763-1

By:

Wang, Guobing;
Liu, Wei;
Li, Ganggang;
Hua, Meiling

Publication type:

Article

Static analysis and vibration characteristics of some noncarbon nanotubes through atomistic continuum coupled modelling.

Published in:

Archive of Applied Mechanics, 2023, v. 93, n. 6, p. 2331, doi. 10.1007/s00419-023-02385-5

By:

Singh, Sandeep;
Raj, B. M. Ravi;
Mali, Kiran D.;
Joshi, Ravindra

Publication type:

Article

Strategic Atomic Interaction Modification for Highly Durable Inorganic Solid Electrolytes in Advanced All‐Solid‐State Li‐Metal Batteries.

Published in:

Small Structures, 2024, v. 5, n. 9, p. 1, doi. 10.1002/sstr.202400091

By:

Kim, Heebae;
Jang, Eunbin;
Cho, Jinil;
Pyo, Seonmi;
Yun, Heejun;
Lee, Jeewon;
Min, Byeongyun;
Han, Juyeon;
Yoo, Jeeyoung;
Kim, Youn Sang

Publication type:

Article

Study on Scanning Probe-Induced Electrochemical Deposition of Atomic and Close-to-Atomic-Scale Structures.

Published in:

Nanomanufacturing & Metrology, 2024, v. 7, n. 1, p. 1, doi. 10.1007/s41871-024-00246-5

By:

Zhou, Yangyang;
Lai, Min

Publication type:

Article

Temperature dependence for the synthetic magnetization of a rotating Bose gas in harmonic trap.

Published in:

Turkish Journal of Physics, 2013, v. 37, n. 1, p. 30, doi. 10.3906/fiz-1205-1

By:

El-BADRY, Azza M.

Publication type:

Article

Predication of Thermal Conductivity of Mg 2 X (X = Ge and Sn) by Molecular Dynamics.

Published in:

Integrated Ferroelectrics, 2015, v. 165, n. 1, p. 61, doi. 10.1080/10584587.2015.1062684

By:

Rittiruam, M.;
Vora-Ud, A.;
Impho, W.;
Seetawan, T.

Publication type:

Article

Przedmioty ekozagłady. Spekulatywna teoria hiperobiektów Timothy'ego Mortona i jej (możliwe) ślady w literaturze.

Published in:

2018

By:

Barcz, Anna

Publication type:

Literary Criticism

Intense laser field-induced nonlinear optical properties of Morse quantum well.

Published in:

Physica Status Solidi (B), 2017, v. 254, n. 4, p. n/a, doi. 10.1002/pssb.201600457

By:

Sakiroglu, S.;
Kasapoglu, E.;
Restrepo, R. L.;
Duque, C. A.;
Sökmen, I.

Publication type:

Article

The incommensurate crystal structure of the Pd5B1-z phase; B ordering driven by elastic interaction between B atoms.

Published in:

Zeitschrift für Kristallographie. Crystalline Materials, 2014, v. 229, n. 5, p. 353, doi. 10.1515/zkri-2013-1710

By:

Leineweber, Andreas;
Berger, Tilman Georg;
Udyansky, Alexander;
Bugaev, Volodymyr N.

Publication type:

Article

Unveiling the molecular basis of lobeline's allosteric regulation of NMDAR: insights from molecular modeling.

Published in:

Scientific Reports, 2023, v. 13, n. 1, p. 1, doi. 10.1038/s41598-023-49835-2

By:

Remya, Chandran;
Variyar, E. J.;
Omkumar, R. V.;
Sadasivan, C.;
Dileep, K. V.

Publication type:

Article

EVALUATION OF GAMMA-RAY BUILDUP FACTORS FOR SOME WASTE PAPER AND NATURAL RUBBER COMPOSITES.

Published in:

Nuclear Physics & Atomic Energy, 2022, v. 23, n. 4, p. 280, doi. 10.15407/jnpae2022.04.280

By:

El-Sarraf, M. A.;
Abdo, A. A. El-Sayed

Publication type:

Article

The directional motion of nano-objects induced by an inhomogeneous strain field.

Published in:

Acta Mechanica, 2019, v. 230, n. 9, p. 3295, doi. 10.1007/s00707-019-02443-6

By:

Peng, Zhilong;
An, Huazhen;
Yang, Yazheng

Publication type:

Article

Dijet production in diffractive deep-inelastic scattering in next-to-next-to-leading order QCD.

Published in:

European Physical Journal C -- Particles & Fields, 2018, v. 78, n. 7, p. 1, doi. 10.1140/epjc/s10052-018-5981-z

By:

Britzger, D.;
Currie, J.;
Gehrmann, T.;
Huss, A.;
Niehues, J.;
Žlebčík, R.

Publication type:

Article

Strongly interacting Rydberg atoms in synthetic dimensions with a magnetic flux.

Published in:

Nature Communications, 2024, v. 15, n. 1, p. 1, doi. 10.1038/s41467-024-46823-6

By:

Chen, Tao;
Huang, Chenxi;
Velkovsky, Ivan;
Hazzard, Kaden R. A.;
Covey, Jacob P.;
Gadway, Bryce

Publication type:

Article

Harmonic Principles of Elemental Crystals—From Atomic Interaction to Fundamental Symmetry.

Published in:

Symmetry (20738994), 2018, v. 10, n. 6, p. 228, doi. 10.3390/sym10060228

By:

Zschornak, Matthias;
Leisegang, Tilmann;
Meutzner, Falk;
Stöcker, Hartmut;
Lemser, Theresa;
Tauscher, Tobias;
Funke, Claudia;
Cherkouk, Charaf;
Meyer, Dirk C.

Publication type:

Article

On the Charge Density Refinement of Odd-Order Multipoles Invariant under Crystal Point Group Symmetry.

Published in:

Symmetry (20738994), 2017, v. 9, n. 5, p. 63, doi. 10.3390/sym9050063

By:

Roversi, Pietro;
Destro, Riccardo

Publication type:

Article

Electronic Structure and Room Temperature of 2D Dilute Magnetic Semiconductors in Bilayer MoS2-Doped Mn.

Published in:

Advances in Condensed Matter Physics, 2020, p. 1, doi. 10.1155/2020/9635917

By:

Mekonnen Hailemariam, Sintayehu

Publication type:

Article

Role of Hetero‐Doped Reduced Graphene Oxide in Suppressing Elemental Dissolution in Manganese Selenide Cathode for Aqueous Zinc‐Ion Batteries.

Published in:

ChemSusChem, 2025, v. 18, n. 8, p. 1, doi. 10.1002/cssc.202402101

By:

Feng, Yan;
Yao, Yuqing;
Wang, Shang;
Ma, Xinyang;
Han, Yuhang;
Feng, Jiayun;
Wen, Jiayue;
Tian, Ruyu;
Sun, Qing;
Tian, Yanhong

Publication type:

Article

Characterization of Z cluster connectivity in CuZr metallic glasses.

Published in:

Journal of Molecular Modeling, 2024, v. 30, n. 6, p. 1, doi. 10.1007/s00894-024-05986-1

By:

Amigo, Nicolás

Publication type:

Article

First-principles study of the electronic structure and optical properties of C-doped SnS2.

Published in:

Journal of Molecular Modeling, 2024, v. 30, n. 2, p. 1, doi. 10.1007/s00894-024-05835-1

By:

Yang, Nan;
Wang, Ying;
Ji, Jinghan;
Shi, Zhihong;
Liu, Guili;
Zhang, Guoying

Publication type:

Article

A computational study on the endohedral alkali metal and ion B40 nanocluster.

Published in:

Journal of Molecular Modeling, 2018, v. 24, n. 8, p. 1, doi. 10.1007/s00894-018-3731-7

By:

Rostami, Zahra;
Firoznasab, Fatemeh

Publication type:

Article

Dirac-Hulthén Problem Within Coulomb-Hulthén Tensor Interaction Via SUSYQM.

Published in:

Few-Body Systems, 2015, v. 56, n. 1, p. 41, doi. 10.1007/s00601-014-0927-y

By:

Ikot, A.;
Etuk, Sunday;
Yazarloo, B.;
Zarrinkamar, S.;
Hassanabadi, H.

Publication type:

Article

Interface Bonding Properties of CrAlSiN-Coated Cemented Carbides Doped with CeO 2 and Y 2 O 3 Rare Earth Oxides.

Published in:

Molecules, 2023, v. 28, n. 8, p. 3584, doi. 10.3390/molecules28083584

By:

Yang, Junru;
Yue, Yanping;
Wang, Yan;
Zhang, Yuekan

Publication type:

Article

Resolving Entangled J H-H -Coupling Patterns for Steroidal Structure Determinations by NMR Spectroscopy.

Published in:

Molecules, 2021, v. 26, n. 9, p. 2643, doi. 10.3390/molecules26092643

By:

Wu, Danni;
Carillo, Kathleen Joyce;
Shie, Jiun-Jie;
Yu, Steve S.-F.;
Tzou, Der-Lii M.;
Ciuffreda, Pierangela

Publication type:

Article

DL_ANALYSER Notation for Atomic Interactions (DANAI): A Natural Annotation System for Molecular Interactions, Using Ethanoic Acid Liquid as a Test Case.

Published in:

Molecules, 2018, v. 23, n. 1, p. 36, doi. 10.3390/molecules23010036

By:

Yong, Chin W.;
Todorov, Ilian T.

Publication type:

Article

On the in-plane failure and post-failure behaviour of pristine and perforated single-layer graphene sheets.

Published in:

Mathematics & Mechanics of Solids, 2019, v. 24, n. 11, p. 3418, doi. 10.1177/1081286519833129

By:

Genoese, Alessandra;
Genoese, Andrea;
Rizzi, Nicola Luigi;
Salerno, Ginevra

Publication type:

Article

Long-range cooperative resonances in rare-earth ion arrays inside photonic resonators.

Published in:

Communications Physics, 2022, v. 5, n. 1, p. 1, doi. 10.1038/s42005-022-00871-w

By:

Pak, Dongmin;
Nandi, Arindam;
Titze, Michael;
Bielejec, Edward S.;
Alaeian, Hadiseh;
Hosseini, Mahdi

Publication type:

Article

Enhanced production of hydrogen via catalytic methane decomposition on a Pt7-Ni (110) substrate: a reactive molecular dynamics investigation.

Published in:

Clean Energy, 2024, v. 8, n. 2, p. 168, doi. 10.1093/ce/zkae017

By:

Arifin, Rizal;
Zulkarnain;
Abdurrouf;
Winardi, Yoyok;
Riyanto, Didik;
Darminto

Publication type:

Article

Data-efficient construction of high-fidelity graph deep learning interatomic potentials.

Published in:

NPJ Computational Materials, 2025, v. 11, n. 1, p. 1, doi. 10.1038/s41524-025-01550-4

By:

Ko, Tsz Wai;
Ong, Shyue Ping

Publication type:

Article

Competing nucleation pathways in nanocrystal formation.

Published in:

NPJ Computational Materials, 2024, v. 10, n. 1, p. 1, doi. 10.1038/s41524-024-01371-x

By:

Salazar, Carlos R.;
Ammothum Kandy, Akshay Krishna;
Furstoss, Jean;
Gromoff, Quentin;
Goniakowski, Jacek;
Lam, Julien

Publication type:

Article

Quantifying the evolution of atomic interaction of a complex surface with a functionalized atomic force microscopy tip.

Published in:

Scientific Reports, 2020, v. 10, n. 1, p. N.PAG, doi. 10.1038/s41598-020-71077-9

By:

Liebig, Alexander;
Hapala, Prokop;
Weymouth, Alfred J.;
Giessibl, Franz J.

Publication type:

Article

Atomic Scale Design, Structure and Stability of Quantum Nanowires Located on Epitaxial Interfaces and Free‐Standing in Space.

Published in:

Physica Status Solidi. A: Applications & Materials Science, 2019, v. 216, n. 13, p. N.PAG, doi. 10.1002/pssa.201800864

By:

Michailov, Michail

Publication type:

Article

Track-structure modes in particle and heavy ion transport code system (PHITS): application to radiobiological research.

Published in:

International Journal of Radiation Biology, 2022, v. 98, n. 2, p. 148, doi. 10.1080/09553002.2022.2013572

By:

Matsuya, Yusuke;
Kai, Takeshi;
Sato, Tatsuhiko;
Ogawa, Tatsuhiko;
Hirata, Yuho;
Yoshii, Yuji;
Parisi, Alessio;
Liamsuwan, Thiansin

Publication type:

Article

D-band center coordination modulated enzyme-like activity in Fe-Cu dual-metal single-atom nanozymes.

Published in:

Nano Research, 2024, v. 17, n. 7, p. 5872, doi. 10.1007/s12274-024-6561-0

By:

Liu, Ling;
Zhang, Shaofang;
Li, Guo;
Zhe, Yadong;
Liu, Jiamin;
Zhang, Xinxu;
Wei, Jiahao;
Sun, Xin;
Li, Yonghui;
Zhang, Xiao-Dong

Publication type:

Article

MGATAF: multi-channel graph attention network with adaptive fusion for cancer-drug response prediction.

Published in:

BMC Bioinformatics, 2025, v. 26, n. 1, p. 1, doi. 10.1186/s12859-024-05987-0

By:

Saeed, Dhekra;
Xing, Huanlai;
AlBadani, Barakat;
Feng, Li;
Al-Sabri, Raeed;
Abdullah, Monir;
Rehman, Amir

Publication type:

Article

Energy Landscape of All-Atom Protein-Protein Interactions Revealed by Multiscale Enhanced Sampling.

Published in:

PLoS Computational Biology, 2014, v. 10, n. 10, p. 1, doi. 10.1371/journal.pcbi.1003901

By:

Moritsugu, Kei;
Terada, Tohru;
Kidera, Akinori

Publication type:

Article

Chemical Bonding in Zinc-based Intermetallic Compounds with the CuTi or the CsCl Type of Structure.

Published in:

Zeitschrift für Anorganische und Allgemeine Chemie, 2014, v. 640, n. 5, p. 753, doi. 10.1002/zaac.201300583

By:

Alarcón Villaseca, Sebastián;
Kandaskalov, Dmytro;
Gaudry, Émilie;
Armbrüster, Marc

Publication type:

Article

Additive Manufacturing with Cellulose‐Based Composites: Materials, Modeling, and Applications.

Published in:

2025

By:

De, Shuvodeep;
Rukmani, Shalini J.;
Zhao, Xianhui;
Clarkson, Caitlyn;
Vautard, Frederic;
Bhagia, Samarthya;
Goswami, Monojoy;
Zhang, Shuyang;
Elyas, Sana F.;
Zhao, Wei;
Smith, Jeremy C.;
Ragauskas, Arthur J.;
Ozcan, Soydan;
Tekinalp, Halil;
Si, Muqing;
Huang, Jinrui;
He, Ximin

Publication type:

Literature Review

Dual‐Type Ru Atomic Sites for Efficient Alkaline Overall Water Splitting.

Published in:

Advanced Functional Materials, 2024, v. 34, n. 36, p. 1, doi. 10.1002/adfm.202316709

By:

Wang, Peng;
Wang, Ke;
Liu, Yunjie;
Li, Huifang;
Guo, Yun;
Tian, Yu;
Guo, Shan;
Luo, Mingchuan;
He, Yan;
Liu, Zhiming;
Guo, Shaojun

Publication type:

Article

OFraMP: a fragment-based tool to facilitate the parametrization of large molecules.

Published in:

Journal of Computer-Aided Molecular Design, 2023, v. 37, n. 8, p. 357, doi. 10.1007/s10822-023-00511-7

By:

Stroet, Martin;
Caron, Bertrand;
Engler, Martin S.;
van der Woning, Jimi;
Kauffmann, Aude;
van Dijk, Marc;
El-Kebir, Mohammed;
Visscher, Koen M.;
Holownia, Josef;
Macfarlane, Callum;
Bennion, Brian J.;
Gelpi-Dominguez, Svetlana;
Lightstone, Felice C.;
van der Storm, Tijs;
Geerke, Daan P.;
Mark, Alan E.;
Klau, Gunnar W.

Publication type:

Article

Interaction of Atomic Oxygen with a Polycrystalline Au Surface: XPS and TPD Study.

Published in:

Journal of Structural Chemistry, 2023, v. 64, n. 5, p. 871, doi. 10.1134/S0022476623050062

By:

Stadnichenko, A. I.;
Koshcheev, S. V.;
Boronin, A. I.

Publication type:

Article

Cation-anion interactions in [MoS(Etdtc)](Etdtc) solutions.

Published in:

Journal of Structural Chemistry, 2016, v. 57, n. 2, p. 376, doi. 10.1134/S0022476616020190

By:

Gushchin, A.;
Ryzhikov, M.;
Kompan'kov, N.;
Moroz, N.;
Sokolov, M.

Publication type:

Article

QSAR study of peptide drugs by 3D-HoVAIF.

Published in:

Journal of Structural Chemistry, 2015, v. 56, n. 7, p. 1268, doi. 10.1134/S0022476615070069

By:

Tong, J.;
Chang, J.;
Li, L.;
Bai, M.

Publication type:

Article

A spatial hierarchical network learning framework for drug repositioning allowing interpretation from macro to micro scale.

Published in:

Communications Biology, 2024, v. 7, n. 1, p. 1, doi. 10.1038/s42003-024-07107-3

By:

Ren, Zhonghao;
Zeng, Xiangxiang;
Lao, Yizhen;
Zheng, Heping;
You, Zhuhong;
Xiang, Hongxin;
Zou, Quan

Publication type:

Article

Reduced Surface Hydroxyl and Released Interfacial Strain by Inserting CsF Anchor Interlayer for High‐Performance Perovskite Solar Cells.

Published in:

Solar RRL, 2023, v. 7, n. 2, p. 1, doi. 10.1002/solr.202200960

By:

Wang, Jintao;
Wang, Zhenyu;
Chen, Shuming;
Jiang, Ning;
Yuan, Long;
Zhang, Jian;
Duan, Yu

Publication type:

Article

Pt@WS2 ‐an Extrinsic 2D Dilute Ferromagnetic Semiconductor Beyond Room Temperature.

Published in:

Small Methods, 2025, v. 9, n. 3, p. 1, doi. 10.1002/smtd.202400955

By:

Chen, Yu‐Xiang;
Hsiao, Kai‐Wen;
Chin, Hao‐Ting;
Chen, Ding‐Rui;
Yen, Zhi‐Long;
Lan, Yann‐Wen;
Ting, Chu‐Chi;
Hofmann, Mario;
Chiang, Cheng‐Tien;
Chan, Yang‐Hao;
Vejpravová, Jana Kalbáčová;
Hsieh, Ya‐Ping

Publication type:

Article

Direct Fabrication of Atomically Defined Pores in MXenes Using Feedback‐Driven STEM.

Published in:

Small Methods, 2024, v. 8, n. 12, p. 1, doi. 10.1002/smtd.202400203

By:

Boebinger, Matthew G.;
Yilmaz, Dundar E.;
Ghosh, Ayana;
Misra, Sudhajit;
Mathis, Tyler S.;
Kalinin, Sergei V.;
Jesse, Stephen;
Gogotsi, Yury;
van Duin, Adri C. T.;
Unocic, Raymond R.

Publication type:

Article

In Situ Probing Multiple‐Scale Structures of Energy Materials for Li‐Ion Batteries.

Published in:

Small Methods, 2020, v. 4, n. 6, p. 1, doi. 10.1002/smtd.201900223

By:

Zhu, He;
Huang, Yalan;
Zhu, Hekang;
Wang, Liguang;
Lan, Si;
Xia, Xinhui;
Liu, Qi

Publication type:

Article