Works matching DE "ATOMIC models"

Results: 626

Multiscale, mechanistic modeling of cesium transport in silicon carbide for TRISO fuel performance prediction.

Published in:

NPJ Computational Materials, 2025, v. 11, n. 1, p. 1, doi. 10.1038/s41524-025-01734-y

By:

Simon, Pierre-Clément A.;
Ke, Jia-Hong;
Jiang, Chao;
Aagesen, Larry K.;
Jiang, Wen;
Novascone, Stephen

Publication type:

Article

Dynamic atomic-scale electron avalanche breakdown in solid dielectrics.

Published in:

Nature Communications, 2025, v. 16, n. 1, p. 1, doi. 10.1038/s41467-025-61866-z

By:

Wang, Jian;
Shen, Zhong-Hui;
Li, Wei;
Liu, Run-Lin;
Duan, Yu-Lin;
Shen, Yang;
Liu, Han-Xing;
Nan, Ce-Wen

Publication type:

Article

Enhancing transferability of machine learning-based polarizability models in condensed-phase systems via atomic polarizability constraint.

Published in:

NPJ Computational Materials, 2025, v. 11, n. 1, p. 1, doi. 10.1038/s41524-025-01705-3

By:

Fang, Mandi;
Zhang, Yinqiao;
Fan, Zheyong;
Tan, Daquan;
Cao, Xiaoyong;
Wei, Chunlei;
Xu, Nan;
He, Yi

Publication type:

Article

Mapping cation-eutaxy ternary with a phenomenological model.

Published in:

Nature Communications, 2025, v. 16, n. 1, p. 1, doi. 10.1038/s41467-025-60739-9

By:

Won, Jongbum;
Kim, Taeyoung;
Lee, Minwoo;
Davies, Daniel W.;
Lee, Giyeok;
Walsh, Aron;
Soon, Aloysius;
Kim, Jong-Young;
Shim, Wooyoung

Publication type:

Article

ANALYSIS OF RUNNING-IN PROCESSES IN TRIBOLOGICAL SYSTEMS.

Published in:

Problems of Friction & Wear, 2025, v. 106, n. 1, p. 98, doi. 10.18372/0370-2197.1(106).19837

By:

KINDRACHUK, M. V.;
KHARCHENKO, V. V.;
HUMENIUK, I. A.;
HLOVYN, M. A.;
KOSTETSKYI, I. V.

Publication type:

Article

Atomic Model Structure of the NIST Monoclonal Antibody (NISTmAb) Reference Material.

Published in:

Journal of Research of the National Institute of Standards & Technology, 2021, v. 126, p. 1, doi. 10.6028/jres.126.012

By:

Bergonzo, Christina;
Gallagher, D. Travis

Publication type:

Article

ATOMISTIC MODELING OF THE FORMATION AND STABILITY OF Ni AND V NANOWIRES ON A STEPPED Rh(553) SUBSTRATE.

Published in:

International Journal of Nanoscience, 2010, v. 9, n. 5, p. 413, doi. 10.1142/S0219581X1000706X

By:

KARA, D. C.;
DREXEL, M. S.;
BOZZOLO, G.;
MOSCA, H. O.

Publication type:

Article

Fluorescence Spectrum of an Atom Interacting with a Quantized Cavity Field with Arbitrary Nonlinearities.

Published in:

International Journal of Nanoscience, 2003, v. 2, n. 1/2, p. 49, doi. 10.1142/S0219581X03001127

By:

Abdel-Aty, Mahmoud;
El-Shahat, Tarek M.;
Obada, Abdel-Shafy F.

Publication type:

Article

The Roles of Thomson and Rutherford in the Birth of Atomic Physics:The Interaction of Experiment and Theory.

Published in:

Annalen der Physik, 2024, v. 536, n. 8, p. 1, doi. 10.1002/andp.202400090

By:

Hon, Giora;
Goldstein, Bernard R.

Publication type:

Article

Controllable Non‐Reciprocal Transmission of Single Photon in Möbius Structure.

Published in:

Annalen der Physik, 2021, v. 533, n. 10, p. 1, doi. 10.1002/andp.202100297

By:

Zhu, Hai‐Yuan;
Hu, Xin‐Yuan;
Lin, Jun‐Jie;
Wu, Jia‐Yi;
Li, Shuo;
Wang, Yan‐Xiang;
Deng, Fu‐Guo;
Zhang, Na‐Na

Publication type:

Article

Out‐of‐Time‐Order Correlators and Quantum Phase Transitions in the Rabi and Dicke Models.

Published in:

Annalen der Physik, 2020, v. 532, n. 4, p. 1, doi. 10.1002/andp.201900270

By:

Sun, Zheng‐Hang;
Cai, Jia‐Qi;
Tang, Qi‐Cheng;
Hu, Yong;
Fan, Heng

Publication type:

Article

Optical Response From Functionalized Atomically Thin Nanomaterials.

Published in:

Annalen der Physik, 2017, v. 529, n. 10, p. n/a, doi. 10.1002/andp.201700097

By:

Malic, Ermin;
Berghäuser, Gunnar;
Feierabend, Maja;
Knorr, Andreas

Publication type:

Article

Relating screening to atomic properties and electronegativity in the Slater atom.

Published in:

Foundations of Chemistry, 2024, v. 26, n. 1, p. 89, doi. 10.1007/s10698-023-09492-9

By:

Viswanathan, Balakrishnan;
Gulam Razul, M. Shajahan

Publication type:

Article

Quantum mechanical atom models, legitimate explanations and mechanisms.

Published in:

Foundations of Chemistry, 2021, v. 23, n. 3, p. 407, doi. 10.1007/s10698-021-09408-5

By:

Weber, Erik;
Lefevere, Merel;
Barman, Kristian Gonzalez

Publication type:

Article

Toward Single Particle Phases Mapping in Degraded Layered Oxide Cathodes via 4D-STEM.

Published in:

Microscopy & Microanalysis, 2024, v. 30, p. 1, doi. 10.1093/mam/ozae044.880

By:

Wang, Zhen;
Jing, Yaqi;
Xin, Huolin L

Publication type:

Article

In-situ Observation of Formation Mechanism of Infinite-layer Iron Oxide.

Published in:

Microscopy & Microanalysis, 2024, v. 30, p. 1, doi. 10.1093/mam/ozae044.800

By:

Xing, Yaolong;
Kim, Inhwan;
Kang, Kyeong Tae;
Choi, Woo Seok;
Lee, Jaekwang;
Oh, Sang Ho

Publication type:

Article

On the Hunt for Spin Qubits Using Multislice Electron Ptychography.

Published in:

Microscopy & Microanalysis, 2024, v. 30, p. 1, doi. 10.1093/mam/ozae044.760

By:

Kim, Junghwa;
Bhat, Aaditya;
Gilgenbach, Colin;
LeBeau, James

Publication type:

Article

Cryo-EM Reconstruction of Tail and Capsid of Stx Bacteriophage Phi24B.

Published in:

Microscopy & Microanalysis, 2024, v. 30, p. 1, doi. 10.1093/mam/ozae044.378

By:

Bubenchikov, Matvey;
Zhang, Rongrong;
Moiseenko, Andrey;
Kuznetsov, Alexander;
Letarov, Andrey;
Sokolova, Olga S

Publication type:

Article

Structural Analysis of KCNQ1 Channel Distal C-Terminus Based on Cryogenic Electron Microscopy and Molecular Modeling Data.

Published in:

Microscopy & Microanalysis, 2024, v. 30, p. 1, doi. 10.1093/mam/ozae044.373

By:

Kravchuk, Ekaterina V;
Mai, Lisha;
Moiseenko, Andrey V;
Novoseletsky, Valery;
Sokolova, Olga S

Publication type:

Article

High-Resolution Reconstruction of Entire Siphovirus.

Published in:

Microscopy & Microanalysis, 2024, v. 30, p. 1, doi. 10.1093/mam/ozae044.372

By:

Ayala, Rafael;
Moiseenko, Andrey;
Kulikov, Eugene;
Letarov, Andrey;
Wolf, Matthias;
Sokolova, Olga S

Publication type:

Article

Adapting Entry-Level TEMs for Single Particle CryoEM Data Collection.

Published in:

Microscopy & Microanalysis, 2024, v. 30, p. 1, doi. 10.1093/mam/ozae044.364

By:

Strugatsky, David;
Jih, Jonathan;
Arbing, Mark;
Spilman, Michael;
Mecklenburg, Matthew

Publication type:

Article

Cryo-EM of an Anti-enterovirus Cross Species Neutralizing Antibody.

Published in:

Microscopy & Microanalysis, 2024, v. 30, p. 1, doi. 10.1093/mam/ozae044.349

By:

Wozny, Michael R;
McFarlane, Harry;
Shen, Edmund Q L;
Racaniello, Vincent R;
Rosenfeld, Amy B;
Strauss, Mike

Publication type:

Article

Mapping Lattice Distortions Across Phase Transitions With Atomic-Resolution STEM.

Published in:

Microscopy & Microanalysis, 2024, v. 30, p. 1, doi. 10.1093/mam/ozae044.1064

By:

Smeaton, Michelle A;
Zheng, Hong;
Fuller, Elliot J;
Kumar, Suhas;
Mitchell, J F;
Jungjohann, Katherine L;
Kourkoutis, Lena F

Publication type:

Article

Dipole Scattering and Its Implications for Vibrational Mapping at Lattice Resolution.

Published in:

Microscopy & Microanalysis, 2019, p. 410, doi. 10.1017/S1431927618002544

By:

Dwyer, Christian

Publication type:

Article

Exploring the Limits of Focused-Probe STEM Ptychography.

Published in:

Microscopy & Microanalysis, 2019, p. 190, doi. 10.1017/S1431927618001447

By:

Nellist, P. D.;
Martinez, G. T.;
O'Leary, C.;
Jones, L.

Publication type:

Article

Spectral Theory for the Standard Model of Non-Relativistic QED.

Published in:

Communications in Mathematical Physics, 2008, v. 283, n. 3, p. 613, doi. 10.1007/s00220-008-0506-5

By:

Fröhlich, J.;
Griesemer, M.;
Sigal, I. M

Publication type:

Article

Excitation and Emission of Argon behind the Front of Shock Waves at Velocities of 4.5–7.8 km/s: II. The Analysis of Experimental Results.

Published in:

Fluid Dynamics, 2022, v. 57, p. S143, doi. 10.1134/S0015462822601218

By:

Bykova, N. G.;
Zabelinskii, I. E.;
Levashov, V. Yu.;
Shatalov, O. P.

Publication type:

Article

NLTE Analysis of High-Resolution H -Band Spectra, V: Neutral Sodium.

Published in:

Universe (2218-1997), 2023, v. 9, n. 11, p. 457, doi. 10.3390/universe9110457

By:

Zhou, Zeming;
Shi, Jianrong;
Bi, Shaolan;
Yan, Hongliang;
Zhang, Junbo;
Pan, Kaike;
Xu, Xiaodong

Publication type:

Article

C ool-contacts : Cryo-Electron Microscopy of Membrane Contact Sites and Their Components.

Published in:

Contact (25152564), 2024, p. 1, doi. 10.1177/25152564241231364

By:

Ching, Cyan;
Maufront, Julien;
di Cicco, Aurélie;
Lévy, Daniel;
Dezi, Manuela

Publication type:

Article

Nickel Nanowires Based on Icosahedral Structure.

Published in:

Metallophysics & Advanced Technologies / Metallofizika i Novejsie Tehnologii, 2019, v. 41, n. 5, p. 673, doi. 10.15407/mfint.41.05.0673

By:

Beloshapka, V.;
Melnyk, O.;
Soolshenko, V.;
Poltoratski, S.

Publication type:

Article

Atomistic Model Potential for PbTiO<sub>3</sub> and PMN by Fitting First Principles Results.

Published in:

Ferroelectrics, 2004, v. 301, n. 1, p. 55, doi. 10.1080/00150190490454882

By:

Sepliarsky, M.;
Wu, Z.;
Asthagiri, A.;
Cohen, R. E.

Publication type:

Article

Statistical Model for Quasicontinuum of Heavy Ions in Hot Plasma.

Published in:

Plasma Physics Reports, 2020, v. 46, n. 3, p. 241, doi. 10.1134/S1063780X20030046

By:

Demura, A. V.;
Leontyev, D. S.;
Lisitsa, V. S.;
Shurygin, V. A.

Publication type:

Article

Features of the chemical models of a nonideal atomic plasma at high temperatures.

Published in:

Plasma Physics Reports, 2008, v. 34, n. 3, p. 251, doi. 10.1134/S1063780X08030136

By:

Khomkin, A. L.;
Shumikhin, A. S.

Publication type:

Article

Atomic oxygen ion retrieval from 630.0 nm airglow during geomagnetically quiet periods: a mid-latitude case study near Irkutsk.

Published in:

Geoscience Letters, 2024, v. 11, n. 1, p. 1, doi. 10.1186/s40562-024-00370-6

By:

Duann, Y.;
Chang, L. C.;
Chiu, Y.-C.;
Salinas, C. C. J. H.;
Dmitriev, A. V.;
Ratovsky, K. G.;
Medvedeva, I. V.;
Vasilyev, R.;
Mikhalev, A. V.;
Liu, J. Y.;
Lin, C. H.;
Fang, T.-W.

Publication type:

Article

Model of the Atomic Molecular Structure of Miscanthus Sacchariflonis Cellulose Nitrates.

Published in:

Polymer Science -- Series A, 2022, v. 64, n. 6, p. 733, doi. 10.1134/S0965545X22700481

By:

Prusskii, A. I.;
Aleshina, L. A.;
Lyukhanova, I. V.;
Sidorova, O. V.;
Budaeva, V. V.;
Sakovich, G. V.

Publication type:

Article

On the Relative Rate of Hydrolysis of a Series of Ketals and their Proton Affinities.

Published in:

Israel Journal of Chemistry, 2000, v. 40, n. 3/4, p. 209

By:

Shiguli Li;
Dory, Yves L.;
Deslongchamps, Pierre

Publication type:

Article

Studying the hydrogen atom position in the strong-short intermolecular hydrogen bond of pure and 5-substituted 9-hydroxyphenalenones by invariom refinement and ONIOM cluster computations.

Published in:

Zeitschrift für Kristallographie. Crystalline Materials, 2021, v. 236, n. 6/7, p. 225, doi. 10.1515/zkri-2020-0022

By:

Gruber, Irina;
Bensch, Lisa;
Müller, Thomas J. J.;
Janiak, Christoph;
Dittrich, Birger

Publication type:

Article

Studying the hydrogen atom position in the strong-short intermolecular hydrogen bond of pure and 5-substituted 9-hydroxyphenalenones by invariom refinement and ONIOM cluster computations.

Published in:

Zeitschrift für Kristallographie. Crystalline Materials, 2020, p. 225, doi. 10.1515/zkri-2020-0022

By:

Gruber, Irina;
Bensch, Lisa;
Müller, Thomas J. J.;
Janiak, Christoph;
Dittrich, Birger

Publication type:

Article

Energetic and entropic considerations for coarse-graining.

Published in:

European Physical Journal B: Condensed Matter, 2021, v. 94, n. 7, p. 1, doi. 10.1140/epjb/s10051-021-00153-4

By:

Kidder, Katherine M.;
Szukalo, Ryan J.;
Noid, W. G.

Publication type:

Article

Author Correction: Visualization of the Cdc48 AAA+ ATPase protein unfolding pathway.

Published in:

2024

By:

Cooney, Ian;
Schubert, Heidi L.;
Cedeno, Karina;
Fisher, Olivia N.;
Carson, Richard;
Price, John C.;
Hill, Christopher P.;
Shen, Peter S.

Publication type:

Correction Notice

Ionisation of atoms determined by kappa refinement against 3D electron diffraction data.

Published in:

Nature Communications, 2024, v. 15, n. 1, p. 1, doi. 10.1038/s41467-024-53448-2

By:

Suresh, Ashwin;
Yörük, Emre;
Cabaj, Małgorzata K.;
Brázda, Petr;
Výborný, Karel;
Sedláček, Ondřej;
Müller, Christian;
Chintakindi, Hrushikesh;
Eigner, Václav;
Palatinus, Lukáš

Publication type:

Article

Atomic-scale three-dimensional structural characterisation of twin interface in Mg alloys.

Published in:

Philosophical Magazine Letters, 2020, v. 100, n. 8, p. 392, doi. 10.1080/09500839.2020.1774935

By:

Li, Lei;
Wang, Shuaizhuo;
Xiao, Lirong;
Chen, Xuefei;
Wei, Kang;
Ning, Huiyan;
Yu, Yandong;
Yin, Dongdi;
Zhou, Hao

Publication type:

Article

About the existence of a horizontal mental pitch line in non-musicians.

Published in:

Laterality, 2020, v. 25, n. 2, p. 215, doi. 10.1080/1357650X.2019.1646756

By:

Guilbert, Alma

Publication type:

Article

The In Situ Structure of T-Series T1 Reveals a Conserved Lambda-Like Tail Tip.

Published in:

Viruses (1999-4915), 2025, v. 17, n. 3, p. 351, doi. 10.3390/v17030351

By:

Chen, Yuan;
Xiao, Hao;
Zhou, Junquan;
Peng, Zeng;
Peng, Yuning;
Song, Jingdong;
Zheng, Jing;
Liu, Hongrong

Publication type:

Article

Partial Atomic Model of the Tailed Lactococcal Phage TP901-1 as Predicted by AlphaFold2: Revelations and Limitations.

Published in:

Viruses (1999-4915), 2023, v. 15, n. 12, p. 2440, doi. 10.3390/v15122440

By:

Mahony, Jennifer;
Goulet, Adeline;
van Sinderen, Douwe;
Cambillau, Christian

Publication type:

Article

In Situ Structures of the Ultra-Long Extended and Contracted Tail of Myoviridae Phage P1.

Published in:

Viruses (1999-4915), 2023, v. 15, n. 6, p. 1267, doi. 10.3390/v15061267

By:

Yang, Fan;
Wang, Liwen;
Zhou, Junquan;
Xiao, Hao;
Liu, Hongrong

Publication type:

Article

Structural Insights into Common and Host-Specific Receptor-Binding Mechanisms in Algal Picorna-like Viruses.

Published in:

Viruses (1999-4915), 2022, v. 14, n. 11, p. 2369, doi. 10.3390/v14112369

By:

Wang, Han;
Munke, Anna;
Li, Siqi;
Tomaru, Yuji;
Okamoto, Kenta

Publication type:

Article

Structure of the Capsid Size-Determining Scaffold of "Satellite" Bacteriophage P4.

Published in:

Viruses (1999-4915), 2020, v. 12, n. 9, p. 953, doi. 10.3390/v12090953

By:

Kizziah, James L.;
Rodenburg, Cynthia M.;
Dokland, Terje

Publication type:

Article

Protein dynamics: Whispering within.

Published in:

2011

By:

Brüschweiler, Rafael

Publication type:

Opinion

Organic solar cells: Two electrons from one photon.

Published in:

Nature Chemistry, 2010, v. 2, n. 8, p. 608, doi. 10.1038/nchem.720

By:

Siebbeles, Laurens D. A.

Publication type:

Article