Works about MOLECULAR magnetic moments

Results: 171

The development of the generative adversarial supporting vector machine for molecular property generation.

Published in:

Journal of Cheminformatics, 2025, v. 17, n. 1, p. 1, doi. 10.1186/s13321-025-01052-x

By:

Lu, Qing

Publication type:

Article

A Carboxylate‐based Hydrophilic Organic Photovoltaic Catalyst with a Large Molecular Dipole Moment for High‐Performance Photocatalytic Hydrogen Evolution.

Published in:

Angewandte Chemie, 2025, v. 137, n. 27, p. 1, doi. 10.1002/ange.202503792

By:

Sun, Hua;
Fan, Jianan;
Fan, Rong;
Sun, Po;
Wang, Shifan;
Wang, Danfeng;
Gu, Peiyang;
Tan, Wenyi;
Zhu, Yongfa

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

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

Ordering and domains in tetragonal crystals of Ising spins coupled via dipolar interactions.

Published in:

European Physical Journal B: Condensed Matter, 2017, v. 90, n. 8, p. 1, doi. 10.1140/epjb/e2017-70678-6

By:

Garanin, Dmitry

Publication type:

Article

Molecularly specific detection towards trace nitrogen dioxide by utilizing Schottky-junction-based Gas Sensor.

Published in:

Nature Communications, 2024, v. 15, n. 1, p. 1, doi. 10.1038/s41467-024-50443-5

By:

Xu, Shipu;
Zhou, Xuehan;
Xu, Shidang;
Zhang, Yan;
Shi, Yiwen;
Cong, Xuzhong;
Xu, Qijia;
Tian, Ye;
Jiang, Ying;
Guo, Hanjie;
Zhao, Jinkui;
Sun, Fengqiang;
Peng, Hailin

Publication type:

Article

Defining Known Drug Space Using DFT.

Published in:

Molecular Informatics, 2016, v. 35, n. 2, p. 46, doi. 10.1002/minf.201500105

By:

Matuszek, Anna M.;
Reynisson, Jóhannes

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

Ab initio spectroscopic studies of AlF and AlCl molecules.

Published in:

International Journal of Modern Physics B: Condensed Matter Physics; Statistical Physics; Applied Physics, 2025, v. 39, n. 2, p. 1, doi. 10.1142/S0217979225500249

By:

Bala, R.;
Prasannaa, V. S.;
Chakravarti, D.;
Mukherjee, D.;
Das, B. P.

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

Structural, DFT calculations and photophysical and photochemical characteristics of 1-((E)-2-phenylethenyl)-2-(4-(2-((E)-2-phenylethenyl) phenoxy) butoxy) benzene (PPPBB).

Published in:

Canadian Journal of Chemistry, 2023, v. 101, n. 1, p. 43, doi. 10.1139/cjc-2022-0164

By:

Bayoumy, Rasha M.;
Abdel-Halim, Shakir T.;
El-Daly, Samy A.;
Saad, Mohamed A.;
Awad, Mohamed K.;
Ebeid, El-Zeiny M.

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

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

Electronically Manipulated Molecular Strategy Enabling Highly Efficient Tin Perovskite Photovoltaics.

Published in:

Angewandte Chemie, 2024, v. 136, n. 7, p. 1, doi. 10.1002/ange.202318133

By:

Teng, Tian‐Yu;
Su, Zhen‐Huang;
Hu, Fan;
Chen, Chun‐Hao;
Chen, Jing;
Wang, Kai‐Li;
Xue, Di;
Gao, Xing‐Yu;
Wang, Zhao‐Kui

Publication type:

Article

Can Magnetic Dipole Transition Moment Be Engineered?

Published in:

Angewandte Chemie, 2024, v. 136, n. 4, p. 1, doi. 10.1002/ange.202316696

By:

Uceda, Rafael G.;
Cruz, Carlos M.;
Míguez‐Lago, Sandra;
de Cienfuegos, Luis Álvarez;
Longhi, Giovanna;
Pelta, David A.;
Novoa, Pavel;
Mota, Antonio J.;
Cuerva, Juan M.;
Miguel, Delia

Publication type:

Article

Photoluminescence Anisotropy in Eutectic Crystals of Polynuclear Lanthanide Complexes and Silver Clusters.

Published in:

Angewandte Chemie, 2023, v. 135, n. 34, p. 1, doi. 10.1002/ange.202305693

By:

Wang, Fei‐Fan;
Zhang, Yuchen;
Zhao, Teng;
Feng, Peng‐Fei;
Lu, Zhenda;
Zang, Shuang‐Quan;
Mak, Thomas C. W.

Publication type:

Article

Heterocyclic Chromophore Amphiphiles and their Supramolecular Polymerization.

Published in:

Angewandte Chemie, 2023, v. 135, n. 17, p. 1, doi. 10.1002/ange.202214997

By:

Đorđević, Luka;
Sai, Hiroaki;
Yang, Yang;
Sather, Nicholas A.;
Palmer, Liam C.;
Stupp, Samuel I.

Publication type:

Article

π‐Expanded Carbazoles as Hole‐Selective Self‐Assembled Monolayers for High‐Performance Perovskite Solar Cells.

Published in:

Angewandte Chemie, 2022, v. 134, n. 51, p. 1, doi. 10.1002/ange.202213560

By:

Jiang, Wenlin;
Li, Fengzhu;
Li, Mingliang;
Qi, Feng;
Lin, Francis R.;
Jen, Alex K.‐Y.

Publication type:

Article

Electrostatically Driven Selective Adsorption of Carbon Dioxide over Acetylene in an Ultramicroporous Material.

Published in:

Angewandte Chemie, 2021, v. 133, n. 17, p. 9690, doi. 10.1002/ange.202100584

By:

Xie, Yi;
Cui, Hui;
Wu, Hui;
Lin, Rui‐Biao;
Zhou, Wei;
Chen, Banglin

Publication type:

Article

Control of the Spin Dynamics of Single‐Molecule Magnets by using a Quasi One‐Dimensional Arrangement.

Published in:

Angewandte Chemie, 2018, v. 130, n. 30, p. 9406, doi. 10.1002/ange.201803161

By:

Katoh, Keiichi;
Yamashita, Satoshi;
Yasuda, Nobuhiro;
Kitagawa, Yasutaka;
Breedlove, Brian K.;
Nakazawa, Yasuhiro;
Yamashita, Masahiro

Publication type:

Article

Coordination-Cluster-Based Molecular Magnetic Refrigerants.

Published in:

Chemical Record, 2016, v. 16, n. 4, p. 2077, doi. 10.1002/tcr.201600038

By:

Zhang, Shaowei;
Cheng, Peng

Publication type:

Article

Molecular Design for Cryogenic Magnetic Coolants.

Published in:

Chemical Record, 2016, v. 16, n. 2, p. 825, doi. 10.1002/tcr.201500278

By:

Liu, Jun‐Liang;
Chen, Yan‐Cong;
Tong, Ming‐Liang

Publication type:

Article

Experimental and density functional theory studies on some metal oxides and the derived nanoclusters: a comparative effects on human ferritin.

Published in:

Discover Nano, 2024, v. 19, n. 1, p. 1, doi. 10.1186/s11671-023-03922-5

By:

Al-Garawi, Zahraa S.;
Ismail, Ahmad H.;
Hillo, Duaa H.;
Öztürkkan, Füreya Elif;
Necefoğlu, Hacali;
Mohamed, Gehad G.;
Abdallah, Abanoub Mosaad

Publication type:

Article

MomentClosure.jl: automated moment closure approximations in Julia.

Published in:

Bioinformatics, 2022, v. 38, n. 1, p. 289, doi. 10.1093/bioinformatics/btab469

By:

Sukys, Augustinas;
Grima, Ramon

Publication type:

Article

Dielectric properties of liquid crystals from the thioester series with a terminal polar group.

Published in:

Phase Transitions, 2019, v. 92, n. 12, p. 1057, doi. 10.1080/01411594.2019.1702192

By:

Ossowska-Chruściel, M. D.;
Rudzki, A.;
Chruściel, J.

Publication type:

Article

Influence of the Composition of Fluororubbers on the Properties of Their Vulcanizates.

Published in:

Russian Journal of General Chemistry, 2021, v. 91, n. 1, p. S24, doi. 10.1134/S107036322113034X

By:

Trifonova, I. P.;
Simonov, A. S.;
Rodicheva, Yu. A.;
Aleksandriiskii, V. V.;
Burmistrov, V. A.;
Koifman, O. I.

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

Thermally Induced Ion Magnetic Moment in H 4 O Superionic State.

Published in:

Crystals (2073-4352), 2025, v. 15, n. 4, p. 304, doi. 10.3390/cryst15040304

By:

Liang, Xiao;
Peng, Junhao;
Wu, Fugen;
Wang, Renhai;
Yang, Yujue;
Li, Xingyun;
Dong, Huafeng

Publication type:

Article

Coumarin Derivatives: The Influence of Cycloalkyl Groups at the C-3 Position on Intermolecular Interactions—Synthesis, Structure and Spectroscopy.

Published in:

Crystals (2073-4352), 2024, v. 14, n. 2, p. 196, doi. 10.3390/cryst14020196

By:

Szwaczko, Katarzyna;
Kamiński, Daniel M.;
Koziol, Anna E.

Publication type:

Article

Significance of Non-Linear Terms in the Relativistic Coupled-Cluster Theory in the Determination of Molecular Properties.

Published in:

Symmetry (20738994), 2020, v. 12, n. 5, p. 811, doi. 10.3390/sym12050811

By:

Prasannaa, V. Srinivasa;
Sahoo, Bijaya K.;
Abe, Minori;
Das, Bhanu P.

Publication type:

Article

Lower Bounds for Gaussian Estrada Index of Graphs.

Published in:

Symmetry (20738994), 2018, v. 10, n. 8, p. 325, doi. 10.3390/sym10080325

By:

Shang, Yilun

Publication type:

Article

Crystal structre of 1,4-bis(bromomethyl)-2,3,5,6-tetramethylbenzene, C12H16Br2.

Published in:

Zeitschrift für Kristallographie / New Crystal Structures, 2022, v. 237, n. 5, p. 819, doi. 10.1515/ncrs-2022-0233

By:

Song, Wenqi;
Zhao, Mingxu;
Zhu, Yanfang;
Gao, Jianjing;
Zhao, Yuzhen

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

Spiropyrans: molecules in motion.

Published in:

Chemistry of Heterocyclic Compounds, 2021, v. 57, n. 10, p. 984, doi. 10.1007/s10593-021-03010-5

By:

Kozlenko, Anastasia S.;
Pugachev, Artem D.;
Ozhogin, Ilya V.;
El-Sewify, Islam M.;
Lukyanov, Boris S.

Publication type:

Article

INDUCTIVE-RESONANCE ENERGY TRANSFER IN HYBRID CARBON NANOSTRUCTURES.

Published in:

Chemistry, Physics & Technology of Surface / Khimiya, Fizyka ta Tekhnologiya Poverhni, 2024, v. 15, n. 3, p. 328, doi. 10.15407/hftp15.03.328

By:

Semchuk, O. Yu.;
Havryliuk, O. O.;
Biliuk, A. A.

Publication type:

Article

Electric Field Control of the Valence-Tautomeric Transformation in Cobalt Complexes.

Published in:

European Journal of Inorganic Chemistry, 2017, v. 2017, n. 45, p. 5356, doi. 10.1002/ejic.201700849

By:

Reu, Oleg;
Ostrovsky, Serghei;
Decurtins, Silvio;
Liu, Shi‐Xia;
Klokishner, Sophia

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

Improved Theory of the Effective Dipole Moments and Absolute Line Strengths of the XY 2 Asymmetric Top Molecules in the X 2 B 1 Doublet Electronic States.

Published in:

International Journal of Molecular Sciences, 2023, v. 24, n. 16, p. 12734, doi. 10.3390/ijms241612734

By:

Ulenikov, Oleg;
Bekhtereva, Elena;
Gromova, Olga;
Kakaulin, Aleksei;
Sydow, Christian;
Bauerecker, Sigurd

Publication type:

Article

Effective Dipole Moment Model for Axially Symmetric C 3 v Molecules: Application to the Precise Study of Absolute Line Strengths of the ν 6 Fundamental of CH 3 35 Cl.

Published in:

International Journal of Molecular Sciences, 2023, v. 24, n. 15, p. 12122, doi. 10.3390/ijms241512122

By:

Ulenikov, Oleg;
Bekhtereva, Elena;
Gromova, Olga;
Fomchenko, Anna;
Morzhikova, Yulia;
Sidko, Sergei;
Sydow, Christian;
Bauerecker, Sigurd

Publication type:

Article

Asymmetric Non-Fullerene Small Molecule Acceptor with Unidirectional Non-Fused π-Bridge and Extended Terminal Group for High-Efficiency Organic Solar Cells.

Published in:

International Journal of Molecular Sciences, 2022, v. 23, n. 17, p. 10079, doi. 10.3390/ijms231710079

By:

Wang, Kun;
Guo, Qing;
Nie, Zengkun;
Wang, Huiyan;
Gao, Jingshun;
Zhang, Jianqi;
Yu, Linfeng;
Guo, Xia;
Zhang, Maojie

Publication type:

Article

DFT Studies of Selected Epoxies with Mesogenic Units–Impact of Molecular Structure on Electro-Optical Response.

Published in:

International Journal of Molecular Sciences, 2021, v. 22, n. 7, p. 3424, doi. 10.3390/ijms22073424

By:

Włodarska, Magdalena;
Mossety-Leszczak, Beata;
Drozd, Marek

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

Universal Approach to Rapid Amplified Plasmonic Sensing Using Helix Defect Phase Transition Polymers.

Published in:

Advanced Functional Materials, 2021, v. 31, n. 15, p. 1, doi. 10.1002/adfm.202010644

By:

Shugayev, Roman;
Devkota, Jagannath;
Kim, Ki‐Joong;
Cvetic, Patricia;
Ohodnicki, Paul

Publication type:

Article

Charge Photogeneration in Non‐Fullerene Organic Solar Cells: Influence of Excess Energy and Electrostatic Interactions.

Published in:

Advanced Functional Materials, 2021, v. 31, n. 8, p. 1, doi. 10.1002/adfm.202007479

By:

Saladina, Maria;
Simón Marqués, Pablo;
Markina, Anastasia;
Karuthedath, Safakath;
Wöpke, Christopher;
Göhler, Clemens;
Chen, Yue;
Allain, Magali;
Blanchard, Philippe;
Cabanetos, Clément;
Andrienko, Denis;
Laquai, Frédéric;
Gorenflot, Julien;
Deibel, Carsten

Publication type:

Article

Perovskite Photovoltaic Cells: Synergistic Effect of Excited State Property and Aggregation Characteristic of Organic Semiconductor on Efficient Hole‐Transportation in Perovskite Device (Adv. Funct. Mater. 5/2021).

Published in:

Advanced Functional Materials, 2021, v. 31, n. 5, p. 1, doi. 10.1002/adfm.202170029

By:

Jo, Bonghyun;
Park, Hansol;
Kamaraj, Eswaran;
Lee, Sewook;
Jung, Bumho;
Somasundaram, Sivaraman;
Jeon, Gyeong G.;
Lee, Kyu‐Tae;
Kim, Namdoo;
Kim, Jong H.;
Kim, Bong‐Gi;
Ahn, Tae Kyu;
Park, Sanghyuk;
Park, Hui Joon

Publication type:

Article

Molecular‐Scale Strategies to Achieve High Efficiency and Low Efficiency Roll‐off in Simplified Solution‐Processed Organic Light‐Emitting Diodes.

Published in:

Advanced Functional Materials, 2020, v. 30, n. 46, p. 1, doi. 10.1002/adfm.202005292

By:

Kim, Young‐Hoon;
Han, Tae‐Hee;
Lee, Changsoo;
Kim, Yun‐Hi;
Yang, Yang;
Lee, Tae‐Woo

Publication type:

Article