Works matching DE "INTERATOMIC distances"

Results: 256

Real-time tracking of energy flow in cluster formation.

Published in:

Communications Chemistry, 2025, v. 8, n. 1, p. 1, doi. 10.1038/s42004-025-01563-6

By:

Stadlhofer, Michael;
Thaler, Bernhard;
Heim, Pascal;
Tiggesbäumker, Josef;
Koch, Markus

Publication type:

Article

Spin and Structural Dynamics of Persistent π‐Mer and π‐Dimer of a Tethered S,C,C‐Bridged Triphenylamine Dimer.

Published in:

Chemistry - A European Journal, 2025, v. 31, n. 30, p. 1, doi. 10.1002/chem.202500576

By:

Morishita, Haruto;
Sambe, Kohei;
Dekura, Shun;
Sugishita, Hiroki;
Kitamura, Chitoshi;
Matsumoto, Taisuke;
Takeda, Takashi;
Uesugi, Rika;
Ishida, Takayuki;
Akutagawa, Tomoyuki;
Suzuki, Shuichi;
Kato, Shin‐Ichiro

Publication type:

Article

Bonding Trends in Tetravalent Th–Pu Monosalen Complexes.

Published in:

Chemistry - A European Journal, 2020, v. 26, n. 70, p. 16853, doi. 10.1002/chem.202003241

By:

Radoske, Thomas;
März, Juliane;
Patzschke, Michael;
Kaden, Peter;
Walter, Olaf;
Schmidt, Moritz;
Stumpf, Thorsten

Publication type:

Article

Comment on "The 'Inverted Bonds' Revisited. Analysis of 'in Silico' Models and of [1.1.1]Propellane Using Orbital Forces".

Published in:

Chemistry - A European Journal, 2020, v. 26, n. 30, p. 6935, doi. 10.1002/chem.201905666

By:

Braïda, Benoît;
Shaik, Sason;
Wu, Wei;
Hiberty, Philippe C.

Publication type:

Article

Front Cover: Interception of Elusive Cationic Hf–Al and Hf–Zn Heterobimetallic Adducts with Mixed Alkyl Bridges Featuring Multiple Agostic Interactions (Chem. Eur. J. 17/2020).

Published in:

Chemistry - A European Journal, 2020, v. 26, n. 17, p. 3653, doi. 10.1002/chem.202000731

By:

Tensi, Leonardo;
Froese, Robert D. J.;
Kuhlman, Roger L.;
Macchioni, Alceo;
Zuccaccia, Cristiano

Publication type:

Article

A continuum model for brittle nanowires derived from an atomistic description by Γ-convergence.

Published in:

Calculus of Variations & Partial Differential Equations, 2023, v. 62, n. 9, p. 1, doi. 10.1007/s00526-023-02562-y

By:

Schmidt, Bernd;
Zeman, Jiří

Publication type:

Article

Effect of Double-Atom Vacancy Defects on the Elastic Properties of Single-Layered Graphene Sheets.

Published in:

Strength of Materials, 2017, v. 49, n. 6, p. 865, doi. 10.1007/s11223-018-9932-6

By:

Wang, Z.;
Yu, Z.;
Sun, X.;
Li, H.;
Wang, Y.

Publication type:

Article

Self-Organized Growth of Clustered Structures in La0.6-<italic>x</italic>Nd<italic>x</italic>Sr0.3Mn1.1O3-δ Doped Perovskites.

Published in:

Inorganic Materials, 2018, v. 54, n. 4, p. 354, doi. 10.1134/S0020168518040118

By:

Samoilenko, Z. A.;
Ivakhnenko, N. N.;
Pushenko, E. I.;
Prilipko, Yu. S.;
Pashchenko, A. V.

Publication type:

Article

QUANTUM-MECHANICAL METHODOLOGY FOR DETERMINING THE TEMPERATURE DEPENDENCE OF CONTACT ANGLE IN MELT-SOLID METAL SYSTEMS.

Published in:

Journal of Chemistry & Technologies, 2024, v. 32, n. 3, p. 544, doi. 10.15421/jchemtech.v32i3.307707

By:

Shtapenko, Eduard Ph.;
Syrovatko, Yuliya V.;
Voronkov, Eugene О.;
Mikhailova, Tetiana F.

Publication type:

Article

Intramolecular inductive through-space interaction between nitrogen and oxygen atoms in silatranes, quasisilatranes, protatranes, triethanolamine, and diethanolamine.

Published in:

Doklady Chemistry, 2014, v. 455, n. 1/2, p. 49, doi. 10.1134/S001250081403001X

By:

Voronkov, M.;
Zel'bst, E.;
Belyaeva, V.

Publication type:

Article

Geological and Crystallochemical Characterization of the Margaritasite–Carnotite Mineral from the Uranium Region of Peña Blanca, Chihuahua, Mexico.

Published in:

Minerals (2075-163X), 2024, v. 14, n. 4, p. 431, doi. 10.3390/min14040431

By:

Faudoa-Gómez, Fabián G.;
Fuentes-Cobas, Luis E.;
Esparza-Ponce, Hilda E.;
Canche-Tello, Jesús G.;
Reyes-Cortés, Ignacio A.;
Fuentes-Montero, Maria E.;
Eichert, Diane M.;
Rodríguez-Guerra, Yair;
Montero-Cabrera, Maria-Elena

Publication type:

Article

Rietveld Study of the Changes of Phase Composition, Crystal Structure, and Morphology of BiFeO 3 by Partial Substitution of Bismuth with Rare-Earth Ions.

Published in:

Minerals (2075-163X), 2021, v. 11, n. 3, p. 278, doi. 10.3390/min11030278

By:

Kireva, Maria;
Tumbalev, Ventsislav;
Kostov-Kytin, Vladislav;
Tzvetkov, Peter;
Kovacheva, Daniela;
Marinković, Bojan

Publication type:

Article

Probing the Local Atomic Structure of In and Cu in Sphalerite by XAS Spectroscopy Enhanced by Reverse Monte Carlo Algorithm.

Published in:

Minerals (2075-163X), 2020, v. 10, n. 10, p. 841, doi. 10.3390/min10100841

By:

Trigub, Alexander L.;
Trofimov, Nikolay D.;
Tagirov, Boris R.;
Nickolsky, Max S.;
Kvashnina, Kristina O.

Publication type:

Article

Structural Assessment of Fluorine, Chlorine, Bromine, Iodine, and Hydroxide Substitutions in Lead Arsenate Apatites (Mimetites)–Pb5(AsO4)3X.

Published in:

Minerals (2075-163X), 2020, v. 10, n. 6, p. 494, doi. 10.3390/min10060494

By:

Sordyl, Julia;
Puzio, Bartosz;
Manecki, Maciej;
Borkiewicz, Olaf;
Topolska, Justyna;
Zelek-Pogudz, Sylwia

Publication type:

Article

The Viscosity and Atomic Structure of Volatile-Bearing Melilititic Melts at High Pressure and Temperature and the Transport of Deep Carbon.

Published in:

Minerals (2075-163X), 2020, v. 10, n. 3, p. 267, doi. 10.3390/min10030267

By:

Stagno, Vincenzo;
Stopponi, Veronica;
Kono, Yoshio;
D'Arco, Annalisa;
Lupi, Stefano;
Romano, Claudia;
Poe, Brent T.;
Foustoukos, Dionysis I.;
Scarlato, Piergiorgio;
Manning, Craig E.

Publication type:

Article

Arsenic Adsorption onto Minerals: Connecting Experimental Observations with Density Functional Theory Calculations.

Published in:

Minerals (2075-163X), 2014, v. 4, n. 2, p. 208, doi. 10.3390/min4020208

By:

Watts, Heath D.;
Tribe, Lorena;
Kubicki, James D.

Publication type:

Article

A career in diffraction: probing the structure of phosphate glasses.

Published in:

Physics & Chemistry of Glasses: European Journal of Glass Science & Technology Part B, 2019, v. 60, n. 5, p. 173, doi. 10.13036/17533562.60.2.035

By:

Hoppe, Uwe

Publication type:

Article

High-energy ionizing radiation influence on the fragmentation of glutamine.

Published in:

European Physical Journal D (EPJ D), 2020, v. 74, n. 1, p. 1, doi. 10.1140/epjd/e2019-100523-7

By:

Tamuliene, Jelena;
Romanova, Liudmila;
Vukstich, Vasyl;
Snegursky, Alexander

Publication type:

Article

van der Waals interaction of atoms in circular Rydberg states.

Published in:

European Physical Journal D (EPJ D), 2018, v. 72, n. 10, p. 1, doi. 10.1140/epjd/e2018-90164-1

By:

Kamenski, Aleksandr A.;
Manakov, Nikolay L.;
Mokhnenko, Sergey N.;
Ovsiannikov, Vitaly D.;
Zenischeva, Alisa A.

Publication type:

Article

Dynamics of resonant energy transfer in one-dimensional chain of Rydberg atoms.

Published in:

European Physical Journal D (EPJ D), 2018, v. 72, n. 9, p. 1, doi. 10.1140/epjd/e2018-90205-9

By:

Kaur, Maninder;
Kaur, Paramjit;
Sahoo, Bijaya K.;
Arora, Bindiya

Publication type:

Article

First-Principles Study of the Ultrafast, Laser-Induced Spin Transferability in the Multi-center Magnetic Cluster NiNa.

Published in:

Journal of Superconductivity & Novel Magnetism, 2013, v. 26, n. 5, p. 2001, doi. 10.1007/s10948-012-2000-8

By:

Xiang, Hongping;
Lefkidis, Georgios;
Hübner, Wolfgang

Publication type:

Article

Mining flexible-receptor docking experiments to select promising protein receptor snapshots.

Published in:

BMC Genomics, 2010, v. 11, n. 5, p. 1, doi. 10.1186/1471-2164-11-S5-S6

By:

Machado, Karina S;
Winck, Ana T;
Ruiz, Duncan DA;
Norberto de Souza, Osmar

Publication type:

Article

Metal⋅⋅⋅F−C Bonding in Low‐Coordinate Alkaline Earth Fluoroarylamides.

Published in:

Chemistry - A European Journal, 2019, v. 25, n. 37, p. 8854, doi. 10.1002/chem.201901262

By:

Roueindeji, Hanieh;
Ratsifitahina, Antsa;
Roisnel, Thierry;
Dorcet, Vincent;
Kahlal, Samia;
Saillard, Jean‐Yves;
Carpentier, Jean‐François;
Sarazin, Yann

Publication type:

Article

Oxygen Vacancy Induced Structural Distortions in Black Titania: A Unique Approach using Soft X‐ray EXAFS at the O–K Edge.

Published in:

Chemistry - A European Journal, 2019, v. 25, n. 13, p. 3272, doi. 10.1002/chem.201805423

By:

Leedahl, Brett;
de Boer, Tristan;
Yuan, Xiaotao;
Moewes, Alexander

Publication type:

Article

A Very Short Be-Be Distance but No Bond: Synthesis and Bonding Analysis of Ng-Be2O2-Ng′ (Ng, Ng′=Ne, Ar, Kr, Xe).

Published in:

Chemistry - A European Journal, 2017, v. 23, n. 9, p. 2035, doi. 10.1002/chem.201605994

By:

Zhang, Qingnan;
Li, Wan‐Lu;
Zhao, Lili;
Chen, Mohua;
Zhou, Mingfei;
Li, Jun;
Frenking, Gernot

Publication type:

Article

Physical, optical, mechanical and gamma ray shielding properties of Al2O3–PbO–B2O3–SiO2 glasses.

Published in:

Optical & Quantum Electronics, 2024, v. 56, n. 4, p. 1, doi. 10.1007/s11082-023-06124-6

By:

Almuqrin, Aljawhara H.;
Al-Ghamdi, Hanan;
Aloraini, Dalal Abdullah;
Sayyed, M. I.;
Kumar, Ashok

Publication type:

Article

Assessment of the third order nonlinear optical susceptibility of V2−xCoxO5 (x = 0.0, 0.05, 0.10, 0.20) thin film via Z-scan technique.

Published in:

Optical & Quantum Electronics, 2023, v. 55, n. 7, p. 1, doi. 10.1007/s11082-023-04899-2

By:

Nadafan, Marzieh;
Mousavi, Malihe

Publication type:

Article

Structure and Properties of Organofluorosilicon Polymers Based on Organotrialkoxysilanes RFOCH2Si(ORF)3.

Published in:

Journal of Polymer Research, 2021, v. 28, n. 5, p. 1, doi. 10.1007/s10965-021-02526-w

By:

Lyubova, Tatyana S.;
Kuznetsova, Olga V.;
Klapshina, Larisa G.;
YuLadilina, Elena Ladilina

Publication type:

Article

Синтеза монокристалічного графіту на підкладинках із Ni та Fe

Published in:

Nanosistemi, Nanomateriali, Nanotehnologii, 2020, v. 18, n. 2, p. 321

By:

Панарін, В. Є.;
Свавільний, М. Є.;
Москалюк, В. О.

Publication type:

Article

New isostructural transition metal complexes with a non-innocent dithiolate ligand.

Published in:

Acta Crystallographica Section C: Structural Chemistry, 2015, v. 71, n. 2, p. 159, doi. 10.1107/S2053229615001436

By:

Herich, Peter;
Fronc, Marek;
Kožíšek, Jozef

Publication type:

Article

The atomic structure of the Bergman‐type icosahedral quasicrystal based on the Ammann–Kramer–Neri tiling.

Published in:

Acta Crystallographica. Section A, Foundations & Advances, 2020, v. 76, n. 2, p. 180, doi. 10.1107/S2053273319017339

By:

Buganski, Ireneusz;
Wolny, Janusz;
Takakura, Hiroyuki

Publication type:

Article

Octagonal symmetry in low-discrepancy β-manganese.

Published in:

Acta Crystallographica. Section A, Foundations & Advances, 2014, v. 70, n. 5, p. 441, doi. 10.1107/S2053273314009218

By:

Hornfeck, Wolfgang;
Kuhn, Philipp

Publication type:

Article

Molecular dynamics study of perovskite structures with modified interatomic interaction potentials.

Published in:

High Energy Chemistry, 2016, v. 50, n. 5, p. 400, doi. 10.1134/S0018143916050209

By:

Zelenyak, T.;
Kholmurodov, Kh.;
Tameev, A.;
Vannikov, A.;
Gladyshev, P.

Publication type:

Article

Changes in properties of H2 molecules at the fluid–fluid phase transition in warm dense hydrogen.

Published in:: Contributions to Plasma Physics, 2022, v. 62, n. 8, p. 1, doi. 10.1002/ctpp.202100227
Publication type:: Article

Magnetic control over the fundamental structure of atomic wires.

Published in:

Nature Communications, 2022, v. 13, n. 1, p. 1, doi. 10.1038/s41467-022-31456-4

By:

Chakrabarti, Sudipto;
Vilan, Ayelet;
Deutch, Gai;
Oz, Annabelle;
Hod, Oded;
Peralta, Juan E.;
Tal, Oren

Publication type:

Article

Structural complexity in ramp-compressed sodium to 480 GPa.

Published in:

Nature Communications, 2022, v. 13, n. 1, p. 1, doi. 10.1038/s41467-022-29813-4

By:

Polsin, Danae N.;
Lazicki, Amy;
Gong, Xuchen;
Burns, Stephen J.;
Coppari, Federica;
Hansen, Linda E.;
Henderson, Brian J.;
Huff, Margaret F.;
McMahon, Malcolm I.;
Millot, Marius;
Paul, Reetam;
Smith, Raymond F.;
Eggert, Jon H.;
Collins, Gilbert W.;
Rygg, J. Ryan

Publication type:

Article

Long range and highly tunable interaction between local spins coupled to a superconducting condensate.

Published in:

Nature Communications, 2021, v. 12, n. 1, p. 1, doi. 10.1038/s41467-021-26802-x

By:

Küster, Felix;
Brinker, Sascha;
Lounis, Samir;
Parkin, Stuart S. P.;
Sessi, Paolo

Publication type:

Article

Machine learning based energy-free structure predictions of molecules, transition states, and solids.

Published in:

Nature Communications, 2021, v. 12, n. 1, p. 1, doi. 10.1038/s41467-021-24525-7

By:

Lemm, Dominik;
von Rudorff, Guido Falk;
von Lilienfeld, O. Anatole

Publication type:

Article

First-Principles Modeling of Oxygen Adsorption on Ag-Doped LaMnO3 (001) Surface.

Published in:

Journal of Electronic Materials, 2020, v. 49, n. 2, p. 1421, doi. 10.1007/s11664-019-07814-2

By:

Abuova, A. U.;
Mastrikov, Yu. A.;
Kotomin, E. A.;
Piskunov, S. N.;
Inerbaev, T. M.;
Akilbekov, A. T.

Publication type:

Article

Enhancement of Curie Temperature ( T) and Magnetization of Fe-Ni Invar alloy Through Cu Substitution and with He Ion Irradiation.

Published in:

Journal of Electronic Materials, 2016, v. 45, n. 4, p. 2258, doi. 10.1007/s11664-015-4293-4

By:

Khan, Sajjad;
Ziya, Amer;
Ibrahim, Ather;
Atiq, Shabbar;
Usman, Muhammad;
Ahmad, Naseeb;
Shakeel, Muhammad

Publication type:

Article

The structural and magnetic characterization of ironstone-derived magnetite ceramic nanopowders.

Published in:

Journal of Materials Science: Materials in Electronics, 2020, v. 31, n. 15, p. 12398, doi. 10.1007/s10854-020-03786-w

By:

Husain, H.;
Sulthonul, M.;
Hariyanto, B.;
Taryana, Y.;
Klyusubun, W.;
Wannapaiboon, S.;
Darminto, D.;
Pratapa, S.

Publication type:

Article

Non‐uniform sampling for NOESY? A case study on spiramycin.

Published in:

Magnetic Resonance in Chemistry, 2021, v. 59, n. 7, p. 723, doi. 10.1002/mrc.5133

By:

Wieske, Lianne H.E.;
Erdélyi, Máté

Publication type:

Article

One‐bond 1J(15N,H) coupling constants at sp2‐hybridized nitrogen of Schiff bases, enaminones and similar compounds: A theoretical study.

Published in:

Magnetic Resonance in Chemistry, 2020, v. 58, n. 8, p. 750, doi. 10.1002/mrc.5052

By:

Hansen, Poul Erik;
Saeed, Bahjat A.;
Rutu, Rita S.;
Kupka, Teobald

Publication type:

Article

Connecting Atomistic and Continuous Models of Elastodynamics.

Published in:

Archive for Rational Mechanics & Analysis, 2017, v. 224, n. 3, p. 907, doi. 10.1007/s00205-017-1091-6

By:

Braun, Julian

Publication type:

Article

Effect of the Hydride and Carbide Phases of Palladium Nanoparticles on the Vibration Frequencies of Adsorbed Surface Molecules.

Published in:

Kinetics & Catalysis, 2023, v. 64, n. 2, p. 191, doi. 10.1134/S0023158423020088

By:

Usoltsev, O. A.;
Protsenko, B. O.;
Pnevskaya, A. Yu.;
Bulgakov, A. N.;
Bugaev, A. L.

Publication type:

Article

Dissimilarity measure of local structure in inorganic crystals using Wasserstein distance to search for novel phosphors.

Published in:

Science & Technology of Advanced Materials, 2021, v. 22, n. 1, p. 185, doi. 10.1080/14686996.2021.1899555

By:

Shota Takemura;
Takashi Takeda;
Takayuki Nakanishi;
Yukinori Koyama;
Hidekazu Ikeno;
Naoto Hirosaki

Publication type:

Article

SPATIAL STRUCTURE OF (+)-1,8-DIETHYL-1,3,4,9-TETRAHYDROPYRANO-[3,4- b]INDOLE-1-ACETIC ACID.

Published in:

Uzbek Chemical Journal / O'Zbekiston Kimyo Jurnali, 2021, n. 3, p. 50

By:

ALIMNAZAROV, B. X.;
ASHUROV, J. M.;
IBRAGIMOV, A. B.;
KHODJANIYAZOV, KH. U.

Publication type:

Article

Die Serie caesiumhaltiger Thioarsenate(V) der Lanthanoide vom Formeltyp Cs3Ln[AsS4]2 mit Ln = La–Nd und Sm.

Published in:

Zeitschrift für Naturforschung B: A Journal of Chemical Sciences, 2024, v. 79, n. 1, p. 29, doi. 10.1515/znb-2023-0066

By:

Engel, Katja;
Schleid, Thomas

Publication type:

Article

The solid solutions TbCuIn1–xMx (M = Al, Ga).

Published in:

Zeitschrift für Naturforschung B: A Journal of Chemical Sciences, 2022, v. 77, n. 7/8, p. 549, doi. 10.1515/znb-2022-0042

By:

Horiacha, Myroslava;
Nychyporuk, Galyna;
Pöttgen, Rainer;
Zaremba, Vasyl

Publication type:

Article

Crystal structure of Dy11Ge4.33In5.67 and Tm11Ge4In6 from X-ray single-crystal and powder data.

Published in:

Zeitschrift für Naturforschung B: A Journal of Chemical Sciences, 2022, v. 77, n. 4/5, p. 253, doi. 10.1515/znb-2021-0187

By:

Dominyuk, Nataliya;
Nychyporuk, Galyna;
Muts, Ihor;
Tyvanchuk, Yuriy;
Zaremba, Vasyl';
Pöttgen, Rainer

Publication type:

Article