Works matching DE "MOLECULAR magnetic moments"

Results: 169

Ferrous to Ferric Transition in Fe‐Phthalocyanine Driven by NO2 Exposure.

Published in:

Chemistry - A European Journal, 2021, v. 27, n. 10, p. 3526, doi. 10.1002/chem.202004932

By:

Cojocariu, Iulia;
Carlotto, Silvia;
Sturmeit, Henning Maximilian;
Zamborlini, Giovanni;
Cinchetti, Mirko;
Cossaro, Albano;
Verdini, Alberto;
Floreano, Luca;
Jugovac, Matteo;
Puschnig, Peter;
Piamonteze, Cinthia;
Casarin, Maurizio;
Feyer, Vitaliy;
Schneider, Claus Michael

Publication type:

Article

Optically Triggered Control of the Charge Carrier Density in Chemically Functionalized Graphene Field Effect Transistors.

Published in:

Chemistry - A European Journal, 2020, v. 26, n. 29, p. 6473, doi. 10.1002/chem.202000431

By:

Tang, Zian;
George, Antony;
Winter, Andreas;
Kaiser, David;
Neumann, Christof;
Weimann, Thomas;
Turchanin, Andrey

Publication type:

Article

Supramolecular Assembly through Interactions between Molecular Dipoles and Alkali Metal Ions.

Published in:

Angewandte Chemie, 2014, v. 126, n. 50, p. 13949, doi. 10.1002/ange.201407555

By:

Shimizu, Tomoko K.;
Jung, Jaehoon;
Imada, Hiroshi;
Kim, Yousoo

Publication type:

Article

Ultrafast Photoswitching in a Copper-Nitroxide-Based Molecular Magnet.

Published in:

Angewandte Chemie, 2014, v. 126, n. 40, p. 10812, doi. 10.1002/ange.201403672

By:

Kaszub, Wawrzyniec;
Marino, Andrea;
Lorenc, Maciej;
Collet, Eric;
Bagryanskaya, Elena G.;
Tretyakov, Evgeny V.;
Ovcharenko, Victor I.;
Fedin, Matvey V.

Publication type:

Article

Enantiomerenbestimmung chiraler Moleküle in Stoffgemischen mittels Breitband-Mikrowellenspektroskopie.

Published in:

Angewandte Chemie, 2014, v. 126, n. 4, p. 1171, doi. 10.1002/ange.201306271

By:

Shubert, V. Alvin;
Schmitz, David;
Patterson, David;
Doyle, John M.;
Schnell, Melanie

Publication type:

Article

Nucleobase Polymers Promote Low Work Function Surfaces in Organic Electronics.

Published in:

Advanced Electronic Materials, 2022, v. 8, n. 7, p. 1, doi. 10.1002/aelm.202101316

By:

Wang, Yi;
Chen, Zhihui;
Yang, Rui;
Kwon, Namhee;
Park, Soohyung;
Kim, Heung‐Sik;
Lee, Hyunbok;
Liu, Yao

Publication type:

Article

Coherent spin dynamics in a helical arrangement of molecular dipoles.

Published in:

AIMS Materials Science, 2017, v. 4, n. 5, p. 1052, doi. 10.3934/matersci.2017.5.1052

By:

D´az, Elena;
Gutiérrez, Rafael;
Gaul, Christopher;
Cuniberti, Gianaurelio;
Dom׈nguez-Adame, Francisco

Publication type:

Article

Cover Feature: Crystallites and Electric Fields in Solid Ammonia (ChemistryOpen 10/2020).

Published in:

ChemistryOpen, 2020, v. 9, n. 10, p. 976, doi. 10.1002/open.202000272

By:

Cassidy, Andrew;
James, Rachel L.;
Dawes, Anita;
Field, David

Publication type:

Article

Influence Mechanism of Magnetized Modified Kerosene on Flotation Behavior of Molybdenite.

Published in:

Minerals (2075-163X), 2022, v. 12, n. 1, p. 2, doi. 10.3390/min12010002

By:

Li, Hui;
Xiao, Wei;
Jin, Jianping;
Han, Yuexin

Publication type:

Article

Effective potentials for HO-He and HO-Ar systems. Isotropic induction-dispersion potentials.

Published in:

European Physical Journal D (EPJ D), 2017, v. 71, n. 5, p. 1, doi. 10.1140/epjd/e2017-70685-9

By:

Starikov, Vitali;
Petrova, Tatiana;
Solodov, Alexander;
Deichuli, Vladimir

Publication type:

Article

Influence of the Spatial Distribution of Molecular Magnetic Moments on the Radiation Characteristics of Rotating Permanent Magnet Antennas.

Published in:

Progress in Electromagnetics Research Letters, 2024, v. 115, p. 71, doi. 10.2528/PIERL23102709

By:

Tiantian Li;
Bin Li;
Jin Meng

Publication type:

Article

Warning signs for wave speed transitions of noisy Fisher-KPP invasion fronts.

Published in:

Theoretical Ecology, 2013, v. 6, n. 3, p. 295, doi. 10.1007/s12080-013-0189-1

By:

Kuehn, Christian

Publication type:

Article

Effect of Strain on the Elastic, Electronic, and Magnetic Properties of Fluoro-Pervskite RbMnF3 and RbFeF3.

Published in:

Journal of Superconductivity & Novel Magnetism, 2019, v. 32, n. 12, p. 3811, doi. 10.1007/s10948-019-05158-w

By:

Huang, H. M.;
Yu, C. X.;
Jiang, Z. Y.;
Luo, S. J.;
Hu, Y. J.

Publication type:

Article

Enhanced Spin Tunneling in a Molecular Magnet Mixed with a Superconductor.

Published in:

Journal of Superconductivity & Novel Magnetism, 2016, v. 29, n. 5, p. 1133, doi. 10.1007/s10948-016-3474-6

By:

Tejada, J.;
Zarzuela, R.;
García-Santiago, A.;
Imaz, I.;
Espin, J.;
Maspoch, D.;
Chudnovsky, E.

Publication type:

Article

Molecule-Based Magnetic Compounds Made Up from Dinuclear Ruthenium(II,III) Carboxylate and Dicyanidoargentate(I).

Published in:

Journal of Superconductivity & Novel Magnetism, 2015, v. 28, n. 3, p. 1013, doi. 10.1007/s10948-014-2646-5

By:

Mikuriya, Masahiro;
Tanaka, Yusuke;
Yoshioka, Daisuke;
Handa, Makoto

Publication type:

Article

Theoretical investigation of mixing in warm clouds - Part 2: Homogeneous mixing.

Published in:

Atmospheric Chemistry & Physics, 2016, v. 16, n. 14, p. 9255, doi. 10.5194/acp-16-9255-2016

By:

Pinsky, Mark;
Khain, Alexander;
Korolev, Alexei;
Magaritz-Ronen, Leehi

Publication type:

Article

Theoretical study of mixing in liquid clouds - Part 1: Classical concepts.

Published in:

Atmospheric Chemistry & Physics, 2016, v. 16, n. 14, p. 9235, doi. 10.5194/acp-16-9235-2016

By:

Korolev, Alexei;
Khain, Alex;
Pinsky, Mark;
French, Jeffrey

Publication type:

Article

Polarized Neutron Diffraction as a Tool for Mapping Molecular Magnetic Anisotropy: Local Susceptibility Tensors in CoII Complexes.

Published in:

Chemistry - A European Journal, 2016, v. 22, n. 2, p. 724, doi. 10.1002/chem.201503400

By:

Ridier, Karl;
Gillon, Béatrice;
Gukasov, Arsen;
Chaboussant, Grégory;
Cousson, Alain;
Luneau, Dominique;
Borta, Ana;
Jacquot, Jean ‐ François;
Checa, Ruben;
Chiba, Yukako;
Sakiyama, Hiroshi;
Mikuriya, Masahiro

Publication type:

Article

Optical properties of molecular layer of pyrylium compounds.

Published in:

Optical & Quantum Electronics, 2020, v. 52, n. 2, p. 1, doi. 10.1007/s11082-020-2228-7

By:

Kaliteevskaya, Elena;
Krutyakova, Valentina;
Razumova, Tatiana;
Starovoytov, Anton

Publication type:

Article

Spin polarization through axially chiral linkers: Length dependence and correlation with the dissymmetry factor.

Published in:

Chirality, 2023, v. 35, n. 9, p. 562, doi. 10.1002/chir.23556

By:

Amsallem, Dana;
Kumar, Anil;
Naaman, Ron;
Gidron, Ori

Publication type:

Article

Effect of Fluorination on the Properties of 9,9′‐(Sulfonylbis(4,1‐Phenylene))bis(3‐(tert‐Butyl)‐6‐Fluoro‐9H‐Carbazole) as Host for Thermally Activated Delayed Fluorescent Emitters.

Published in:

ChemPhotoChem, 2024, v. 8, n. 10, p. 1, doi. 10.1002/cptc.202400138

By:

Jamel, Nor Shafiq Mohd;
Lin, Woon Kai;
AbdWahab, Muhammad Kumayl;
Volyniuk, Dmytro;
Gužauskas, Matas;
Supangat, Azzuliani;
Nordin, Nurdiana;
Nasir, FH Abd;
Ghasemi, Melika;
Bareikaite, Kamile;
Monkman, Andrew;
Seng, Tan Yee;
Hing, Goh Bey;
Grazulevicius, Juozas Vidas;
Ariffin, Azhar

Publication type:

Article

Theoretical study of solvent effects on the hyperpolarizabilities of two chalcone derivatives.

Published in:

Revista Colombiana de Química, 2020, v. 49, n. 1, p. 33, doi. 10.15446/rev.colomb.quim.v1n49.82156

By:

Victor B. Soares, João;
Valverde, Clodoaldo;
da Silva, André D.;
Luz, Bruno V.;
dos Santos, Daniel Junior A.;
Carvalho, Elisa G. B.;
Cecília M. Oliveira, Yara;
Napolitano, Hamilton B.;
Baseia, Basílio;
Osório, Francisco A. P.

Publication type:

Article

Improved Model of the Effective Dipole Moments and Absolute Ro-Vibrational Line Strengths of the XY2 Asymmetric Top Molecules in the X 2B1 Doublet Electronic States.

Published in:

Optics & Spectroscopy, 2024, v. 132, n. 4, p. 357, doi. 10.1134/S0030400X24040076

By:

Gromova, O. V.;
Bekhtereva, E. S.;
Kakaulin, A. N.;
Ulenikov, O. N.

Publication type:

Article

Anisotropic Saturation of the EPR Spectrum of an DCO Radical Stabilized in Solid CO at 4.2 K and Its Orientation Motion.

Published in:

Optics & Spectroscopy, 2023, v. 131, n. 2, p. 88, doi. 10.1134/S0030400X23040070

By:

Dmitriev, Ya. A.

Publication type:

Article

The Influence of Isotopic Substitution on the Expansion Parameters of an Effective Dipole Moment in Molecules of XY2/XYZ Type.

Published in:

Optics & Spectroscopy, 2019, v. 127, n. 3, p. 385, doi. 10.1134/S0030400X19090285

By:

Zyatkova, A. G.;
Belova, A. S.;
Gromova, O. V.;
Bekhtereva, E. S.

Publication type:

Article

-Dependences of the Rotational Contributions to the Effective Dipole Moment of the H2O Molecule and Their Effect on the Broadening and Shift of Lines Induced by the Pressure of Buffer Gases.

Published in:

Optics & Spectroscopy, 2019, v. 127, n. 2, p. 199, doi. 10.1134/S0030400X19080277

By:

Starikov, V. I.

Publication type:

Article

Fast analytical evaluation of intermolecular electrostatic interaction energies using the pseudoatom representation of the electron density. III. Application to crystal structures via the Ewald and direct summation methods.

Published in:

Acta Crystallographica. Section A, Foundations & Advances, 2020, v. 76, n. 6, p. 630, doi. 10.1107/S2053273320009584

By:

Nguyen, Daniel;
Macchi, Piero;
Volkov, Anatoliy

Publication type:

Article

Facilitating Charge Separation of Donor–Acceptor Conjugated Microporous Polymers via Position Isomerism Strategy for Efficient CO 2 Photoconversion.

Published in:

Catalysts (2073-4344), 2024, v. 14, n. 10, p. 659, doi. 10.3390/catal14100659

By:

Wang, Dandan;
Yan, Xiaofei;
Zhu, Xinsheng;
Liu, Ying;
Zhang, Laihong;
Lu, Yaqiu;
Li, Jie;
Xue, Dingming

Publication type:

Article

Uncovering the Crystalline Packing Advantages of Asymmetric Y‐Series Acceptors for Efficient Additive‐Insensitive and Intrinsically Stable Organic Solar Cells.

Published in:

Advanced Energy Materials, 2024, v. 14, n. 12, p. 1, doi. 10.1002/aenm.202303785

By:

Xia, Xinxin;
Mei, Le;
Sun, Rui;
Li, Shuixing;
Chen, Chun‐Yu;
Lin, Jhih‐Min;
Min, Jie;
Chen, Hongzheng;
Chen, Xian‐Kai;
Lu, Xinhui

Publication type:

Article

Strong Intermolecular Interactions Induced by High Quadrupole Moments Enable Excellent Photostability of Non‐Fullerene Acceptors for Organic Photovoltaics.

Published in:

Advanced Energy Materials, 2022, v. 12, n. 30, p. 1, doi. 10.1002/aenm.202201267

By:

Luke, Joel;
Yang, Emily J.;
Chin, Yi‐Chun;
Che, Yuxuan;
Winkler, Lisa;
Whatling, Darius;
Labanti, Chiara;
Park, Song Yi;
Kim, Ji‐Seon

Publication type:

Article

Chemical Design Rules for Non‐Fullerene Acceptors in Organic Solar Cells.

Published in:

Advanced Energy Materials, 2021, v. 11, n. 44, p. 1, doi. 10.1002/aenm.202102363

By:

Markina, Anastasia;
Lin, Kun‐Han;
Liu, Wenlan;
Poelking, Carl;
Firdaus, Yuliar;
Villalva, Diego Rosas;
Khan, Jafar I.;
Paleti, Sri H. K.;
Harrison, George T.;
Gorenflot, Julien;
Zhang, Weimin;
De Wolf, Stefaan;
McCulloch, Iain;
Anthopoulos, Thomas D.;
Baran, Derya;
Laquai, Frédéric;
Andrienko, Denis

Publication type:

Article

Luscus: molecular viewer and editor for MOLCAS.

Published in:

Journal of Cheminformatics, 2015, v. 7, n. 1, p. 1, doi. 10.1186/s13321-015-0060-z

By:

Kovačević, Goran;
Veryazov, Valera

Publication type:

Article

First-Principles Calculations of the Structural, Magnetic, and Electronic Properties of Fe2MgB Full-Heusler Alloy.

Published in:

Journal of Electronic Materials, 2019, v. 48, n. 11, p. 7258, doi. 10.1007/s11664-019-07544-5

By:

Jiang, Daguo;
Ye, Yuanxiu;
Yao, Weibo;
Zeng, Dongwen;
Zhou, Jie;
Liu, Lina;
Wen, Yufeng

Publication type:

Article

Predictive Simulations for Tuning Electronic and Optical Properties of SubPc Derivatives.

Published in:

Journal of Electronic Materials, 2019, v. 48, n. 5, p. 2962, doi. 10.1007/s11664-019-06961-w

By:

Waters, Michael J.;
Hashemi, Daniel;
Shi, Guangsha;
Kioupakis, Emmanouil;
Kieffer, John

Publication type:

Article

Ion-molecule reactions involving HCO+ and N2H+: Isotopologue equilibria from new theoretical calculations and consequences for interstellar isotope fractionation.

Published in:

Astronomy & Astrophysics / Astronomie et Astrophysique, 2014, v. 566, p. 1, doi. 10.1051/0004-6361/201423733

By:

Mladenovi´c, M.;
Roueff, E.

Publication type:

Article

Influence of Structure on Magnetic and Photoluminescent Properties of Coordination Compounds of 3 d and 4 f Metals and Nanocomposites Based on Them.

Published in:

Theoretical & Experimental Chemistry, 2017, v. 53, n. 5, p. 296, doi. 10.1007/s11237-017-9529-3

By:

Pavlishchuk, V.

Publication type:

Article

QSAR-analysis of 1-[2-(R-phenylimino)-4-methyl-3-(3-[morpholine-4-yl]propyl)-2,3-dihydro-1,3-thiazol-5-yl]ethane-1-one's derivatives as potential antioxidants.

Published in:

Pharmacia (0428-0296), 2019, v. 66, n. 1, p. 33, doi. 10.3897/pharmacia.66.e35083

By:

Drapak, Iryna;
Zimenkovsky, Borys;
Perekhoda, Lina;
Yeromina, Hanna;
Lipakova, Kateryna;
Demchuk, Inna;
Rakhimova, Marina

Publication type:

Article

QeMFi: A Multifidelity Dataset of Quantum Chemical Properties of Diverse Molecules.

Published in:

Scientific Data, 2025, v. 12, n. 1, p. 1, doi. 10.1038/s41597-024-04247-3

By:

Vinod, Vivin;
Zaspel, Peter

Publication type:

Article

New examples of ferroelectric nematic materials showing evidence for the antiferroelectric smectic-Z phase.

Published in:

Scientific Reports, 2024, v. 14, n. 1, p. 1, doi. 10.1038/s41598-024-54832-0

By:

Nacke, Pierre;
Manabe, Atsutaka;
Klasen-Memmer, Melanie;
Chen, Xi;
Martinez, Vikina;
Freychet, Guillaume;
Zhernenkov, Mikhail;
Maclennan, Joseph E.;
Clark, Noel A.;
Bremer, Matthias;
Giesselmann, Frank

Publication type:

Article

New examples of ferroelectric nematic materials showing evidence for the antiferroelectric smectic-Z phase.

Published in:

Scientific Reports, 2024, v. 14, n. 1, p. 1, doi. 10.1038/s41598-024-54832-0

By:

Nacke, Pierre;
Manabe, Atsutaka;
Klasen-Memmer, Melanie;
Chen, Xi;
Martinez, Vikina;
Freychet, Guillaume;
Zhernenkov, Mikhail;
Maclennan, Joseph E.;
Clark, Noel A.;
Bremer, Matthias;
Giesselmann, Frank

Publication type:

Article

Photoinduced reversible changes in the electronic structure of photochromic diarylethene films.

Published in:

Applied Physics A: Materials Science & Processing, 2013, v. 113, n. 1, p. 1, doi. 10.1007/s00339-013-7892-z

By:

Frisch, Johannes;
Herder, Martin;
Herrmann, Philipp;
Heimel, Georg;
Hecht, Stefan;
Koch, Norbert

Publication type:

Article

Unveiling the composition of the single-charm molecular pentaquarks: insights from radiative decay and magnetic moment.

Published in:

European Physical Journal C -- Particles & Fields, 2025, v. 85, n. 2, p. 1, doi. 10.1140/epjc/s10052-025-13891-x

By:

Wang, Fu-Lai;
Luo, Si-Qiang;
Liu, Xiang

Publication type:

Article

MolNet_Equi: A Chemically Intuitive, Rotation‐Equivariant Graph Neural Network.

Published in:

Chemistry - An Asian Journal, 2024, v. 19, n. 1, p. 1, doi. 10.1002/asia.202300684

By:

Kim, Jihoo;
Jeong, Yoonho;
Kim, Won June;
Lee, Eok Kyun;
Choi, Insung S.

Publication type:

Article

Structural Changes in Five‐Coordinate Bromido‐bis(o‐iminobenzo‐semiquinonato)iron(III) Complex: Spin‐Crossover or Ligand‐Metal Antiferromagnetic Interactions?

Published in:

European Journal of Inorganic Chemistry, 2021, v. 2021, n. 8, p. 756, doi. 10.1002/ejic.202001033

By:

Vlasenko, Valery G.;
Guda, Alexander A.;
Starikov, Andrey G.;
Chegerev, Maxim G.;
Piskunov, Alexander V.;
Ershova, Irina V.;
Trigub, Alexander L.;
Tereshchenko, Andrei A.;
Rusalev, Yurii V.;
Kubrin, Stanislav P.;
Soldatov, Alexander V.

Publication type:

Article

二氧化碳在液态甲烷中溶解过程的分子动力学研究.

Published in:

Journal of China University of Petroleum, 2023, v. 47, n. 4, p. 158, doi. 10.3969/j.issn.1673-5005.2023.04.017

By:

蔡伟华;
高磊;
王嘉欣;
边江;
王兵兵;
李秋英;
王悦

Publication type:

Article

Study on low-rank coal flotation collector screening and performance based on molecular polarity index.

Published in:

Journal of Molecular Modeling, 2024, v. 30, n. 10, p. 1, doi. 10.1007/s00894-024-06129-2

By:

Zhang, Lei;
Liu, Shengyu;
Sun, Beilei;
Guo, Jianying;
Li, Bao

Publication type:

Article

Molecular self-assembled helix peptide nanotubes based on some amino acid molecules and their dipeptides: molecular modeling studies.

Published in:

Journal of Molecular Modeling, 2024, v. 30, n. 8, p. 1, doi. 10.1007/s00894-024-05995-0

By:

Bystrov, Vladimir S.

Publication type:

Article

Principle component analysis for nonlinear optical properties of thiophene-based metal complexes.

Published in:

Journal of Molecular Modeling, 2021, v. 27, n. 11, p. 1, doi. 10.1007/s00894-021-04967-y

By:

Anu;
Srivastava, Anurag;
Khan, Mohd.Shahid

Publication type:

Article

STUDY OF DIELECTRIC PROPERTIES OF SOME BULK Cu-As-Se-I CHALCOGENIDES.

Published in:

Chalcogenide Letters, 2018, v. 15, n. 1, p. 7

By:

SKUBAN, F.;
LUKIĆ-PETROVIĆ, S. R.;
ŠILJEGOVIĆ, M. V.;
PETROVIĆ, D. M.;
SLANKAMENAC, M.

Publication type:

Article

Kurze Diskussion zur Praxis bei der Umrechnung von Partikelgrößenverteilungen mit dem Konzept von MomentenA Short Discussion about Practices in the Calculation of Particle Size Distribution by Using the Concept of Moments.

Published in:

Chemie Ingenieur Technik (CIT), 2018, v. 90, n. 8, p. 1089, doi. 10.1002/cite.201700165

By:

Zhang, Qian

Publication type:

Article