Works matching DE "ANHARMONIC motion"

Results: 167

Universal vibrational anharmonicity in carbyne-like materials.

Published in:

Nature Communications, 2025, v. 16, n. 1, p. 1, doi. 10.1038/s41467-025-59555-y

By:

Lechner, Johannes M. A.;
Marabotti, Pietro;
Shi, Lei;
Pichler, Thomas;
Casari, Carlo Spartaco;
Heeg, Sebastian

Publication type:

Article

Thermoelectrics: From Bonding Asymmetry to Anharmonic Rattling in Cu12Sb4S13 Tetrahedrites: When Lone-Pair Electrons Are Not So Lonely (Adv. Funct. Mater. 24/2015).

Published in:

Advanced Functional Materials, 2015, v. 25, n. 24, p. 3618, doi. 10.1002/adfm.201570159

By:

Lai, Wei;
Wang, Yuxing;
Morelli, Donald T.;
Lu, Xu

Publication type:

Article

From Bonding Asymmetry to Anharmonic Rattling in Cu12Sb4S13 Tetrahedrites: When Lone-Pair Electrons Are Not So Lonely.

Published in:

Advanced Functional Materials, 2015, v. 25, n. 24, p. 3648, doi. 10.1002/adfm.201500766

By:

Lai, Wei;
Wang, Yuxing;
Morelli, Donald T.;
Lu, Xu

Publication type:

Article

Preparation and thermoelectric performance of tetrahedrite-like cubic Cu3SbS3 compound.

Published in:

Journal of Materials Science: Materials in Electronics, 2021, v. 32, n. 8, p. 10789, doi. 10.1007/s10854-021-05737-5

By:

Zhang, Jingjing;
Wang, Lanjie;
Liu, Ming;
Wang, Jian;
Sun, Ke;
Yang, Yang;
Hu, Baofu;
Xu, Jian;
Su, Taichao;
Du, Baoli

Publication type:

Article

Anharmonicity and quantum nuclear effects in theoretical vibrational spectroscopy: a molecular tale of two cities.

Published in:

Theoretical Chemistry Accounts: Theory, Computation, & Modeling, 2023, v. 142, n. 5, p. 1, doi. 10.1007/s00214-023-02993-y

By:

Conte, Riccardo;
Aieta, Chiara;
Botti, Giacomo;
Cazzaniga, Marco;
Gandolfi, Michele;
Lanzi, Cecilia;
Mandelli, Giacomo;
Moscato, Davide;
Ceotto, Michele

Publication type:

Article

Extracting vibrational anharmonicities from short driven molecular dynamics trajectories.

Published in:

Theoretical Chemistry Accounts: Theory, Computation, & Modeling, 2021, v. 140, n. 4, p. 1, doi. 10.1007/s00214-021-02740-1

By:

Parneix, Pascal;
Maupin, Romain;
Attal, Loïse;
Calvo, Florent;
Falvo, Cyril

Publication type:

Article

Spectroscopic properties of diatomic molecules CdI and CsCd: ab initio calculations.

Published in:

Theoretical Chemistry Accounts: Theory, Computation, & Modeling, 2020, v. 139, n. 8, p. N.PAG, doi. 10.1007/s00214-020-02648-2

By:

Kozáková, Silvia;
Černušák, Ivan

Publication type:

Article

Flicker Noise in Quartz Crystal Resonator at 353K as a Function of Q-Factor of Overtones and Anharmonic Modes at 4K.

Published in:

Fluctuation & Noise Letters, 2018, v. 17, n. 3, p. N.PAG, doi. 10.1142/S0219477518710025

By:

Pokharel, A.;
Sthal, F.;
Imbaud, J.;
Ghosh, S.;
Devel, M.;
Esnault, F. X.;
Cibiel, G.

Publication type:

Article

Dynamic metastable vortex states in interacting vortex lines.

Published in:

Communications Physics, 2024, v. 7, n. 1, p. 1, doi. 10.1038/s42005-024-01645-2

By:

Kozlov, Sergei;
Lesueur, Jérôme;
Roditchev, Dimitri;
Feuillet-Palma, Cheryl

Publication type:

Article

Low lattice thermal conductivity of hydride‐based cubic antiperovskites A3HB (a = Li, Na; B = S, se, Te) with higher‐order anharmonicity correction.

Published in:

International Journal of Energy Research, 2022, v. 46, n. 10, p. 13687, doi. 10.1002/er.8088

By:

Xiao, Yanan;
Sui, Pengfei;
Zhao, Yinchang;
Ni, Jun;
Meng, Sheng;
Dai, Zhenhong

Publication type:

Article

Quartic anharmonicity and ultra‐low lattice thermal conductivity of alkali antimonide compounds M3Sb (M = K, Rb and Cs).

Published in:

International Journal of Energy Research, 2021, v. 45, n. 5, p. 6958, doi. 10.1002/er.6284

By:

Zhong, Qi;
Dai, Zhenhong;
Wang, Weiqiang;
Zhao, Yinchang;
Meng, Sheng

Publication type:

Article

Universal Features of Manifestation of Relationship between Local and Segmental Dynamics of Glassy Polymers at Terahertz Frequencies in IR Spectra.

Published in:

Optics & Spectroscopy, 2022, v. 130, n. 12, p. 605, doi. 10.1134/S0030400X22130045

By:

Ryzhov, V. A.

Publication type:

Article

Theory of thermal expansion in 2D crystals.

Published in:

Physica Status Solidi (B), 2015, v. 252, n. 11, p. 2433, doi. 10.1002/pssb.201552286

By:

Michel, K. H.;
Costamagna, S.;
Peeters, F. M.

Publication type:

Article

Decoupling of the onset of anharmonicity between a protein and its surface water around 200 K.

Published in:

eLife, 2024, p. 1, doi. 10.7554/eLife.95665

By:

Lirong Zheng;
Bingxin Zhou;
Banghao Wu;
Yang Tan;
Juan Huang;
Tyagi, Madhusudan;
García Sakai, Victoria;
Takeshi Yamada;
O'Neill, Hugh;
Qiu Zhang;
Liang Hong

Publication type:

Article

On avoiding negative electron density in Gram-Charlier refinements of anharmonic motion: the example of glutathione.

Published in:

Zeitschrift für Kristallographie. Crystalline Materials, 2018, v. 233, n. 9/10, p. 695, doi. 10.1515/zkri-2018-2060

By:

Hübschle, Christian B.;
Ruhmlieb, Charlotte;
Burkhardt, Anja;
van Smaalen, Sander;
Dittrich, Birger

Publication type:

Article

Vacancies tailoring lattice anharmonicity of Zintl-type thermoelectrics.

Published in:

Nature Communications, 2024, v. 15, n. 1, p. 1, doi. 10.1038/s41467-024-46895-4

By:

Jinfeng Zhu;
Qingyong Ren;
Chen Chen;
Chen Wang;
Mingfang Shu;
Miao He;
Cuiping Zhang;
Manh Duc;
Shuki Torri;
Chin-Wei Wang;
Jianli Wang;
Zhenxiang Cheng;
Lisi Li;
Guohua Wang;
Yuxuan Jiang;
Mingzai Wu;
Zhe Qu;
Xin Tong;
Yue Chen;
Qian Zhang

Publication type:

Article

Lead-free Zr-doped ceria ceramics with low permittivity displaying giant electrostriction.

Published in:

Nature Communications, 2023, v. 14, n. 1, p. 1, doi. 10.1038/s41467-023-43032-5

By:

Varenik, Maxim;
Xu, Boyuan;
Li, Junying;
Gaver, Elad;
Wachtel, Ellen;
Ehre, David;
Routh, Prahlad K.;
Khodorov, Sergey;
Frenkel, Anatoly I.;
Qi, Yue;
Lubomirsky, Igor

Publication type:

Article

Quantized intrinsically localized modes of a 3D lattice.

Published in:

Philosophical Magazine Letters, 2014, v. 94, n. 7, p. 424, doi. 10.1080/09500839.2014.920541

By:

Kanbur, Derya;
Riseborough, Peter S.

Publication type:

Article

DYNAMIC ANALYSIS OF NONLINEAR ELASTIC HARMONIC OSCILLATOR.

Published in:

Annals of 'Constantin Brancusi' University of Targu-Jiu. Engineering Series / Analele Universităţii Constantin Brâncuşi din Târgu-Jiu. Seria Inginerie, 2014, n. 2, p. 92

By:

Tătaru, Vladimir Dragoş;
Tătaru, Mircea Bogdan

Publication type:

Article

Kinetic and thermodynamic investigations on the HF elimination reactions from neutral and ionized CF3CH2F.

Published in:

Journal of Molecular Modeling, 2022, v. 28, n. 10, p. 1, doi. 10.1007/s00894-022-05282-w

By:

Bonfim, Víctor S. A.;
Baptista, Leonardo;
Oliveira, Daniel A. B.;
Honda, Diego E.;
Santos, Antônio C. F.

Publication type:

Article

Electron Correlation or Basis Set Quality: How to Obtain Converged and Accurate NMR Shieldings for the Third-Row Elements?

Published in:

Molecules, 2022, v. 27, n. 23, p. 8230, doi. 10.3390/molecules27238230

By:

Rzepiela, Kacper;
Kaminský, Jakub;
Buczek, Aneta;
Broda, Małgorzata A.;
Kupka, Teobald

Publication type:

Article

Anharmonicity and Spectra–Structure Correlations in MIR and NIR Spectra of Crystalline Menadione (Vitamin K 3).

Published in:

Molecules, 2021, v. 26, n. 22, p. 6779, doi. 10.3390/molecules26226779

By:

Beć, Krzysztof B.;
Grabska, Justyna;
Huck, Christian W.;
Mazurek, Sylwester;
Czarnecki, Mirosław A.

Publication type:

Article

Anharmonic Thermal Motion Modelling in the Experimental XRD Charge Density Determination of 1-Methyluracil at T = 23 K.

Published in:

Molecules, 2021, v. 26, n. 11, p. 3075, doi. 10.3390/molecules26113075

By:

Destro, Riccardo;
Roversi, Pietro;
Barzaghi, Mario;
Lo Presti, Leonardo

Publication type:

Article

Electron-mediated anharmonicity and its role in the Raman spectrum of graphene.

Published in:

NPJ Computational Materials, 2025, v. 11, n. 1, p. 1, doi. 10.1038/s41524-025-01610-9

By:

Erhardt, Nina Girotto;
Castellano, Aloïs;
Batista, J. P. Alvarinhas;
Bianco, Raffaello;
Lončarić, Ivor;
Verstraete, Matthieu J.;
Novko, Dino

Publication type:

Article

Hierarchy-boosted funnel learning for identifying semiconductors with ultralow lattice thermal conductivity.

Published in:

NPJ Computational Materials, 2025, v. 11, n. 1, p. 1, doi. 10.1038/s41524-025-01583-9

By:

Wu, Mengfan;
Yan, Shenshen;
Ren, Jie

Publication type:

Article

Efficient modelling of anharmonicity and quantum effects in PdCuH2 with machine learning potentials.

Published in:

NPJ Computational Materials, 2025, v. 11, n. 1, p. 1, doi. 10.1038/s41524-025-01553-1

By:

Belli, Francesco;
Zurek, Eva

Publication type:

Article

Thermodynamics of solids including anharmonicity through quasiparticle theory.

Published in:

NPJ Computational Materials, 2024, v. 10, n. 1, p. 1, doi. 10.1038/s41524-024-01447-8

By:

Blancas, Ernesto J.;
Lobato, Álvaro;
Izquierdo-Ruiz, Fernando;
Márquez, Antonio M.;
Recio, J. Manuel;
Nath, Pinku;
Plata, José J.;
Otero-de-la-Roza, Alberto

Publication type:

Article

Cover: Journal of the Chinese Chemical Society 04/2025.

Published in:: Journal of the Chinese Chemical Society, 2025, v. 72, n. 4, p. 359, doi. 10.1002/jccs.70021
Publication type:: Article

Research of anharmonic effect of reaction related to DEE combustion.

Published in:

Journal of the Chinese Chemical Society, 2025, v. 72, n. 4, p. 374, doi. 10.1002/jccs.70004

By:

Du, Yufan;
Shi, Lei;
Zhang, Wenhan;
Xia, Wenwen;
Yao, Li

Publication type:

Article

Anharmonic Effect of N-Propyl Peroxy Dissociation.

Published in:

Journal of the Chinese Chemical Society, 2016, v. 63, n. 12, p. 1038, doi. 10.1002/jccs.201600091

By:

Song, Liguo;
Pan, Xinxiang;
Li, Qian;
Ding, Yang;
Yao, Li;
Lin, Sheng‐Hsien

Publication type:

Article

Breakdown of magnons in a strongly spin-orbital coupled magnet.

Published in:

Nature Communications, 2017, v. 8, n. 1, p. 1, doi. 10.1038/s41467-017-01177-0

By:

Winter, Stephen M.;
Riedl, Kira;
Maksimov, Pavel A.;
Chernyshev, Alexander L.;
Honecker, Andreas;
Valentí, Roser

Publication type:

Article

Parametric Analysis for Underwater Flapping Foil Propulsor.

Published in:

Water (20734441), 2021, v. 13, n. 15, p. 2103, doi. 10.3390/w13152103

By:

Mei, Lei;
Zhou, Junwei;
Yu, Dong;
Shi, Weichao;
Pan, Xiaoyun;
Li, Mingyang

Publication type:

Article

Tuning coherent phonon dynamics in two-dimensional phenylethylammonium lead bromide perovskites.

Published in:

Nano Research, 2023, v. 16, n. 2, p. 3408, doi. 10.1007/s12274-022-4911-4

By:

Cui, Minghuan;
Qin, Chaochao;
Zhou, Zhongpo;
Jiang, Yuanzhi;
Zhang, Shichen;
Yuan, Zeye;
Yuan, Mingjian;
Yu, Kun;
Jiang, Yuhai;
Liu, Yufang

Publication type:

Article

Fourier analysis of nonlinear pendulum oscillations.

Published in:

Caderno Brasileiro de Ensino de Física, 2017, v. 40, n. 1, p. 1, doi. 10.1590/1806-9126-RBEF-2017-0151

By:

Singh, Inderpreet;
Aran, Palakkandy;
Lima, Fabio

Publication type:

Article

Resummation of the Brillouin‐Wigner Perturbation Series.

Published in:

Bulletin of the Korean Chemical Society, 2018, v. 39, n. 3, p. 347, doi. 10.1002/bkcs.11393

By:

Lee, Seunghoon;
Choi, Cheol Ho;
Lee, Sangyoub

Publication type:

Article

Trends in GeTe Thermoelectrics: From Fundamentals to Applications.

Published in:

Advanced Functional Materials, 2024, v. 34, n. 39, p. 1, doi. 10.1002/adfm.202403498

By:

Li, Meng;
Shi, Xiao‐Lei;
Chen, Zhi‐Gang

Publication type:

Article

Weak Bonding and Anharmonicity in Thermoelectric ZnSb.

Published in:

Advanced Functional Materials, 2024, v. 34, n. 33, p. 1, doi. 10.1002/adfm.202401703

By:

Grønbech, Thomas Bjørn Egede;
Kasai, Hidetaka;
Zhang, Jiawei;
Nishibori, Eiji;
Iversen, Bo Brummerstedt

Publication type:

Article

Internal Rotation and Equilibrium Structure of the Bromonitromethane Molecule According to Gas Electron Diffraction Data and Quantum Chemical Calculations.

Published in:

Journal of Structural Chemistry, 2018, v. 59, n. 3, p. 512, doi. 10.1134/S0022476618030034

By:

Tarasov, Yu. I.;
Kochikov, I. V.;
Bazhanova, Z. G.

Publication type:

Article

Variational solution of the problem of anharmonic vibrations of molecules in the central force field.

Published in:

Journal of Structural Chemistry, 2015, v. 56, n. 4, p. 752, doi. 10.1134/S0022476615040198

By:

Gribov, L.;
Prokof'eva, N.

Publication type:

Article

Вплив змін об’єму і температури на механічні та теплові властивості ПВХ, наповненого нанодисперсними металами.

Published in:

Metallophysics & Advanced Technologies / Metallofizika i Novejsie Tehnologii, 2020, v. 42, n. 1, p. 87, doi. 10.15407/mfint.42.01.0087

By:

Колупаєв, Б. Б.;
Колупаєв, Б. С.;
Левчук, В. В.;
Максимцев, Ю. Р.;
Сідлецький, В. О.;
Голуб, О. С.

Publication type:

Article

Spatial Spin-Modulated Structure of Bi1 –xSrxFeO3 –y (x = 0, 0.05, and 0.10) Multiferroics.

Published in:

Crystallography Reports, 2023, v. 68, n. 5, p. 779, doi. 10.1134/S1063774523600655

By:

Pokatilov, V. S.;
Rusakov, V. S.;
Gapochka, A. M.;
Sigov, A. S.

Publication type:

Article

Prediction of Thermal Transport Properties of Pristine and BN-Substituted Holey Graphynes.

Published in:

Inorganics, 2025, v. 13, n. 4, p. 128, doi. 10.3390/inorganics13040128

By:

Li, Qingchen;
Zhang, Yujie;
Liu, Yanlong;
Gao, Yan;
Deng, Baoxia

Publication type:

Article

Study of Anharmonicity in Zirconium Hydrides Using Inelastic Neutron Scattering and Ab-Initio Computer Modeling.

Published in:

Inorganics, 2021, v. 9, n. 5, p. 29, doi. 10.3390/inorganics9050029

By:

Zhang, Jiayong;
Cheng, Yongqiang;
Kolesnikov, Alexander I.;
Bernholc, Jerry;
Lu, Wenchang;
Ramirez-Cuesta, Anibal J.;
Bowman Jr., Robert C.

Publication type:

Article

Characterization of a Transmon Qubit in a 3D Cavity for Quantum Machine Learning and Photon Counting.

Published in:

Applied Sciences (2076-3417), 2024, v. 14, n. 4, p. 1478, doi. 10.3390/app14041478

By:

D'Elia, Alessandro;
Alfakes, Boulos;
Alkhazaleh, Anas;
Banchi, Leonardo;
Beretta, Matteo;
Carrazza, Stefano;
Chiarello, Fabio;
Di Gioacchino, Daniele;
Giachero, Andrea;
Henrich, Felix;
Piedjou Komnang, Alex Stephane;
Ligi, Carlo;
Maccarrone, Giovanni;
Macucci, Massimo;
Palumbo, Emanuele;
Pasquale, Andrea;
Piersanti, Luca;
Ravaux, Florent;
Rettaroli, Alessio;
Robbiati, Matteo

Publication type:

Article

Perturbative analysis of Newton-equivalent quantum quartic anharmonic oscillators.

Published in:

Journal of Science & Technology MSU, 2019, v. 38, n. 1, p. 89

By:

ศุจิพัชร จันอูน;
พิเชฐ วณิชชาพงศ์เจริญ

Publication type:

Article

Thermodynamic Properties and Anharmonic Effects in XAFS Based on Anharmonic Correlated Debye Model Debye–Waller Factors.

Published in:

Advances in Materials Science & Engineering, 2018, p. 1, doi. 10.1155/2018/3263170

By:

Ba Duc, Nguyen;
Van Hung, Nguyen;
Dang Khoa, Ha;
Quoc Vuong, Dinh;
Sy Tien, Tong

Publication type:

Article

From Phonons to Domain Walls, the Central Peak and "Critical Slowing Down".

Published in:

Condensed Matter, 2024, v. 9, n. 4, p. 39, doi. 10.3390/condmat9040039

By:

Salje, Ekhard K. H.;
Bussmann-Holder, Annette

Publication type:

Article

Estimation of the Grüneisen Parameter of High-Entropy Alloy-Type Functional Materials: The Cases of REO 0.7 F 0.3 BiS 2 and MTe.

Published in:

Condensed Matter, 2022, v. 7, n. 2, p. 34, doi. 10.3390/condmat7020034

By:

Abbas, Fysol Ibna;
Nakahira, Yuki;
Yamashita, Aichi;
Kasem, Md. Riad;
Yoshida, Miku;
Goto, Yosuke;
Miura, Akira;
Terashima, Kensei;
Matsumoto, Ryo;
Takano, Yoshihiko;
Moriyoshi, Chikako;
Mizuguchi, Yoshikazu

Publication type:

Article

Stack Parameters Effect on the Performance of Anharmonic Resonator Thermoacoustic Heat Engine.

Published in:

Archive of Mechanical Engineering, 2014, v. 61, n. 1, p. 115, doi. 10.2478/meceng-2014-0006

By:

Nouh, Mostafa A.;
Arafa, Nadim M.;
Abdel-Rahman, Ehab

Publication type:

Article

Electronic correlations determine the phase stability of iron up to the melting temperature.

Published in:

Scientific Reports, 2014, p. 1, doi. 10.1038/srep05585

By:

Leonov, I.;
Poteryaev, A. I.;
Gornostyrev, Yu. N.;
Lichtenstein, A. I.;
Katsnelson, M. I.;
Anisimov, V. I.;
Vollhardt, D.

Publication type:

Article