Works matching DE "IONIZATION energy"

Results: 1057

Progress in the Circular Arc Source Structure and Magnetic Field Arc Control Technology for Arc Ion Plating.

Published in:

Materials (1996-1944), 2025, v. 18, n. 15, p. 3498, doi. 10.3390/ma18153498

By:

Du, Hao;
Zhang, Ke;
Liu, Debin;
Lang, Wenchang

Publication type:

Article

On the chemical characteristics of fullerenes as modelled by R index.

Published in:

International Journal of Computational Materials Science & Engineering, 2025, v. 14, n. 3, p. 1, doi. 10.1142/S2047684123500549

By:

Aldemir, Mehmet Şerif;
Ediz, Süleyman

Publication type:

Article

NON-COVALENT INTERACTIONS OF β-CHITIN: QUANTUM CHEMICAL CALCULATIONS, HIRSHFELD SURFACE AND FINGERPRINT PLOT ANALYSIS.

Published in:

Cellulose Chemistry & Technology, 2025, v. 59, n. 5/6, p. 621

By:

AKMAN, FERIDE

Publication type:

Article

Characterization of Macroscopic Mechanical Anisotropy of Magnetocaloric Gadolinium Cylinders.

Published in:

JOM: The Journal of The Minerals, Metals & Materials Society (TMS), 2019, v. 71, n. 9, p. 3151, doi. 10.1007/s11837-019-03521-9

By:

Steiner Petrovič, Darja;
Šturm, Roman;
Pepelnjak, Tomaž

Publication type:

Article

Carboxylic Groups via Postpolymerization Modification of Polythiophene and their Influence on the Performance of a Polymeric MALDI Matrix.

Published in:

Macromolecular Chemistry & Physics, 2023, v. 224, n. 1, p. 1, doi. 10.1002/macp.202200250

By:

Qiao, Zhi;
Horatz, Kilian;
Ho, Po Yuen;
Mitrofanov, Andrei;
Zhou, Changjiang;
Sun, Ningwei;
Lissel, Franziska S.‐C.

Publication type:

Article

Insight into stabilities and magnetism of EuGen (n = 1–20) nanoclusters: an assessment of electronic aromaticity.

Published in:

Journal of Materials Science, 2022, v. 57, n. 41, p. 19338, doi. 10.1007/s10853-022-07834-0

By:

Trivedi, Ravi;
Banerjee, Antara;
Bandyopadhyay, Debashis

Publication type:

Article

Controlled Synthesis of Diphosphine-Protected Gold Cluster Cations Using Magnetron Sputtering Method.

Published in:

Molecules, 2022, v. 27, n. 4, p. 1330, doi. 10.3390/molecules27041330

By:

Wang, Lewei;
Omoda, Tsubasa;
Koyasu, Kiichirou;
Tsukuda, Tatsuya

Publication type:

Article

Copolymers Containing 1-Methyl-2-phenyl-imidazole Moieties as Permanent Dipole Generating Units: Synthesis, Spectroscopic, Electrochemical, and Photovoltaic Properties.

Published in:

Molecules, 2022, v. 27, n. 3, p. 915, doi. 10.3390/molecules27030915

By:

Kulszewicz-Bajer, Irena;
Nowakowski, Robert;
Zagórska, Małgorzata;
Maranda-Niedbała, Agnieszka;
Mech, Wojciech;
Wróbel, Zbigniew;
Drapała, Jakub;
Wielgus, Ireneusz;
Korona, Krzysztof P.

Publication type:

Article

Facile Synthesis of 5-Aryl- N -(pyrazin-2-yl)thiophene-2-carboxamides via Suzuki Cross-Coupling Reactions, Their Electronic and Nonlinear Optical Properties through DFT Calculations.

Published in:

Molecules, 2021, v. 26, n. 23, p. 7309, doi. 10.3390/molecules26237309

By:

Ahmad, Gulraiz;
Rasool, Nasir;
Mubarik, Adeel;
Zahoor, Ameer Fawad;
Hashmi, Muhammad Ali;
Zubair, Muhammad;
Bilal, Muhammad;
Hussien, Mohamed;
Akhtar, Muhammad Saeed;
Haider, Sajjad

Publication type:

Article

Theoretical Study on Redox Potential Control of Iron-Sulfur Cluster by Hydrogen Bonds: A Possibility of Redox Potential Programming.

Published in:

Molecules, 2021, v. 26, n. 20, p. 6129, doi. 10.3390/molecules26206129

By:

Era, Iori;
Kitagawa, Yasutaka;
Yasuda, Natsumi;
Kamimura, Taigo;
Amamizu, Naoka;
Sato, Hiromasa;
Cho, Keigo;
Okumura, Mitsutaka;
Nakano, Masayoshi

Publication type:

Article

A Statistically Supported Antioxidant Activity DFT Benchmark—The Effects of Hartree–Fock Exchange and Basis Set Selection on Accuracy and Resources Uptake.

Published in:

Molecules, 2021, v. 26, n. 16, p. 5058, doi. 10.3390/molecules26165058

By:

Spiegel, Maciej;
Gamian, Andrzej;
Sroka, Zbigniew

Publication type:

Article

Multibubble Sonoluminescence from a Theoretical Perspective.

Published in:

Molecules, 2021, v. 26, n. 15, p. 4624, doi. 10.3390/molecules26154624

By:

Yasui, Kyuichi

Publication type:

Article

From Electronegativity towards Reactivity—Searching for a Measure of Atomic Reactivity.

Published in:

Molecules, 2021, v. 26, n. 12, p. 3680, doi. 10.3390/molecules26123680

By:

Nordholm, Sture

Publication type:

Article

New Electroactive Polymers with Electronically Isolated 4,7-Diarylfluorene Chromophores as Positive Charge Transporting Layer Materials for OLEDs.

Published in:

Molecules, 2021, v. 26, n. 7, p. 1936, doi. 10.3390/molecules26071936

By:

Krucaite, Gintare;
Tavgeniene, Daiva;
Blazevicius, Dovydas;
Zhang, Baohua;
Vembris, Aivars;
Grigalevicius, Saulius;
Xie, Guohua;
Huang, Chien-Jung;
Lee, Kuan-Wei

Publication type:

Article

Comparison of Ferroptosis-Inhibitory Mechanisms between Ferrostatin-1 and Dietary Stilbenes (Piceatannol and Astringin).

Published in:

Molecules, 2021, v. 26, n. 4, p. 1092, doi. 10.3390/molecules26041092

By:

Chen, Ban;
Li, Xican;
Ouyang, Xiaojian;
Liu, Jie;
Liu, Yangping;
Chen, Dongfeng;
Santini, Antonello

Publication type:

Article

The Electronic Property Differences between dA::dG and dA::dGoxo. A Theoretical Approach.

Published in:

Molecules, 2020, v. 25, n. 17, p. 3828, doi. 10.3390/molecules25173828

By:

Karwowski, Boleslaw T.

Publication type:

Article

A Refractive Index Study of a Diverse Set of Polymeric Materials by QSPR with Quantum-Chemical and Additive Descriptors.

Published in:

Molecules, 2020, v. 25, n. 17, p. 3772, doi. 10.3390/molecules25173772

By:

Erickson, Meade E.;
Ngongang, Marvellous;
Rasulev, Bakhtiyor;
Wong, Bryan M.

Publication type:

Article

Tumoricidal Potential of Novel Amino-1,10-phenanthroline Derived Imine Ligands: Chemical Preparation, Structure, and Biological Investigations.

Published in:

Molecules, 2020, v. 25, n. 12, p. 2865, doi. 10.3390/molecules25122865

By:

Prasad, Kollur Shiva;
Pillai, Renjith Raveendran;
Shivamallu, Chandan;
Prasad, Shashanka K.;
Jain, Anisha S.;
Pradeep, Sushma;
Armaković, Stevan;
Armaković, Sanja J.;
Srinivasa, Chandrashekar;
Kallimani, Sharadadevi;
Amachawadi, Raghavendra G.;
Ankegowda, Veena Malligere;
Marraiki, Najat;
Elgorban, Abdallah M.;
Syed, Asad;
Jampilek, Josef;
Tylkowski, Bartosz

Publication type:

Article

Theoretical Investigation of Energetic Salts with Pentazolate Anion.

Published in:

Molecules, 2020, v. 25, n. 8, p. 1783, doi. 10.3390/molecules25081783

By:

Wang, Hao-Ran;
Zhang, Chong;
Hu, Bing-Cheng;
Ju, Xue-Hai

Publication type:

Article

Towards Blue AIE/AIEE: Synthesis and Applications in OLEDs of Tetra-/Triphenylethenyl Substituted 9,9-Dimethylacridine Derivatives.

Published in:

Molecules, 2020, v. 25, n. 3, p. 445, doi. 10.3390/molecules25030445

By:

Cekaviciute, Monika;
Petrauskaite, Aina;
Nasiri, Sohrab;
Simokaitiene, Jurate;
Volyniuk, Dmytro;
Sych, Galyna;
Budreckiene, Ruta;
Grazulevicius, Juozas Vidas;
Pigge, Christopher

Publication type:

Article

Anticancer Indole-Based Chalcones: A Structural and Theoretical Analysis.

Published in:

Molecules, 2019, v. 24, n. 20, p. 3728, doi. 10.3390/molecules24203728

By:

Badria, Farid A.;
Soliman, Saied M.;
Atef, Saleh;
Islam, Mohammad Shahidul;
Al-Majid, Abdullah Mohammed;
Dege, Necmi;
Ghabbour, Hazem A.;
Ali, M.;
El-Senduny, Fardous F.;
Barakat, Assem

Publication type:

Article

Synthesis and Properties of New Dithienosilole Derivatives as Luminescent Materials.

Published in:

Molecules, 2019, v. 24, n. 12, p. 2259, doi. 10.3390/molecules24122259

By:

Zając, Dorota;
Honisz, Damian;
Łapkowski, Mieczysław;
Sołoducho, Jadwiga;
Unno, Masafumi

Publication type:

Article

EVALUATION OF THE STRUCTURE AND CHARACTERISTICS OF CIRCUMTRINDENE DERIVATIVES: A DFT STUDY.

Published in:

Journal of Structural Chemistry, 2022, v. 63, n. 3, p. 331, doi. 10.1134/S0022476622030027

By:

Kazemi, S.;
Zabarjad Shiraz, N.;
Samadizadeh, M.;
Ezabadi, A.

Publication type:

Article

Experimental and Theoretical Studies on Molecular Structures, Nanostructural Features, and Photophysical Properties of 5-Amino-1-Alkylimidazole-4-Carboxamide Compounds.

Published in:

Journal of Structural Chemistry, 2019, v. 60, n. 6, p. 990, doi. 10.1134/S0022476619060143

By:

Das, A.

Publication type:

Article

Effect of the External Electric Field on the Electronic Structure and Aromaticity of Iridabenzene: A DFT Study.

Published in:

Journal of Structural Chemistry, 2019, v. 60, n. 4, p. 547, doi. 10.1134/S002247661904005X

By:

Ghobadi, H.;
Ghiasi, R.;
Jamehbozorgi, S.

Publication type:

Article

Remote Identification and Estimation of the Calcium Concentration in Bulk Liquid under High-Pressure Condition.

Published in:

Journal of Applied Spectroscopy, 2022, v. 88, n. 6, p. 1215, doi. 10.1007/s10812-022-01302-y

By:

Sumathi, J.;
Kumar, V. Sathiesh;
Veerappan, K.

Publication type:

Article

Role of Lithium in the Formation of Exciton Luminescence of Zinc Oxide.

Published in:

Journal of Applied Spectroscopy, 2020, v. 87, n. 5, p. 796, doi. 10.1007/s10812-020-01072-5

By:

Nikitenko, V. A.;
Kokin, S. M.;
Stoyukhin, S. G.;
Mukhin, S. V.

Publication type:

Article

Photo- and thermostimulated luminescence of ZnO nanowires.

Published in:

Journal of Applied Spectroscopy, 2013, v. 80, n. 2, p. 240, doi. 10.1007/s10812-013-9752-1

By:

Panasiuk, M.;
Turko, B.;
Kapustianyk, V.;
Stanko, O.;
Mandryka, A.;
Serkiz, R.;
Dubov, Y.

Publication type:

Article

Relationship Between the Ionization Energy and the Radial Velocity of the Ionized Gas in Gaseous Nebulae.

Published in:

Astrophysics, 2019, v. 62, n. 1, p. 57, doi. 10.1007/s10511-019-09564-9

By:

Caicedo-Ortiz, H. E.;
Fernandez, H. O. Castañeda

Publication type:

Article

Computational Explanation of the Photovoltaic Cells Properties of the PCBM and PC71BM Derivatives using the Density Functional Theory.

Published in:

Theoretical Foundations of Chemical Engineering, 2023, v. 57, n. 6, p. 1627, doi. 10.1134/S0040579523330138

By:

El Amine, Zair Mohammed;
Hassina, Derbal Habak;
Chemouri, Hafida;
Nunzi, Jean Michel

Publication type:

Article

Breaking interfacial charge transfer barrier by sulfite for efficient pollutants degradation: a case of BiVO4.

Published in:

NPJ Clean Water, 2023, v. 6, n. 1, p. 1, doi. 10.1038/s41545-023-00254-w

By:

Gao, Xin;
Wang, Peifang;
Che, Huinan;
Liu, Wei;
Ao, Yanhui

Publication type:

Article

Theoretical study of folic acid and derivatives conjugated with Thymine through Density functional theory.

Published in:

Journals Kufa for Chamical, 2024, v. 3, p. 57

By:

shukrain, Ayat Ahmed;
Khadim, Lekaa Hussein

Publication type:

Article

Theoretical Investigation of novel bis azo compounds using DFT.

Published in:

Journals Kufa for Chamical, 2023, v. 3, n. 1, p. 76, doi. 10.36329/jkcm/2023/v3.i1.11610

By:

Al-amir Jabbar, Hussein Abd;
mohammed, Mahdi. A.;
Malik, Sabah A.

Publication type:

Article

Relativistic Calculations of the Chemical Properties of the Superheavy Element with Z = 119 and Its Homologues.

Published in:

Optics & Spectroscopy, 2021, v. 129, n. 9, p. 1038, doi. 10.1134/S0030400X21070213

By:

Tupitsyn, I. I.;
Malyshev, A. V.;
Glazov, D. A.;
Kaygorodov, M. Y.;
Kozhedub, Y. S.;
Savelyev, I. M.;
Shabaev, V. M.

Publication type:

Article

Calculations of Relativistic, Correlation, Nuclear, and Quantum-Electrodynamics Corrections to Energy and Ionization Potential of the Ground State of Helium-Like Ions.

Published in:

Optics & Spectroscopy, 2020, v. 128, n. 1, p. 21, doi. 10.1134/S0030400X20010245

By:

Tupitsyn, I. I.;
Bezborodov, S. V.;
Malyshev, A. V.;
Mironova, D. V.;
Shabaev, V. M.

Publication type:

Article

The Spectr-W database on the spectroscopic properties of atoms and ions.

Published in:

Optics & Spectroscopy, 2016, v. 120, n. 4, p. 507, doi. 10.1134/S0030400X16040238

By:

Skobelev, I.;
Loboda, P.;
Gagarin, S.;
Ivliev, S.;
Kozlov, A.;
Morozov, S.;
Pikuz, S.;
Pikuz, T.;
Popova, V.;
Faenov, A.

Publication type:

Article

Nonlinear optical absorption in crystals with deep impurities: II. Band-impurity phototransitions involving free electrons.

Published in:

Optics & Spectroscopy, 2015, v. 119, n. 2, p. 216, doi. 10.1134/S0030400X15080184

By:

Perlin, E.;
Levitskii, R.;
Ivanov, A.;
Eliseev, K.

Publication type:

Article

CI Calculations of the Ground State Ionization Potential and Electron Affinity of Aluminum.

Published in:

Acta Physica Polonica: A, 2015, v. 28, n. 3, p. 268, doi. 10.12693/APhysPolA.128.268

By:

HUSSEIN, ADNAN YOUSIF

Publication type:

Article

Energy Levels and Spectral Lines for n = 3 to n = 3 Transitions in Mg-Like Tungsten Ions.

Published in:

Acta Physica Polonica: A, 2015, v. 28, n. 3, p. 274, doi. 10.12693/APhysPolA.128.274

By:

HAO, L. H.;
KANG, X. P.

Publication type:

Article

Fundamental Gaps in Cr8, Cr7Ni and Cr7Cd Molecules.

Published in:

Acta Physica Polonica: A, 2014, v. 126, n. 1, p. 234, doi. 10.12693/APhysPolA.126.234

By:

BRZOSTOWSKI, B.;
WOJCIECHOWSKI, M.;
KAMIENIARZ, G.

Publication type:

Article

Selection of Internal Standards for Determining Rare-Earth Elements by Microwave Induced Plasma Optical Emission Spectrometry.

Published in:

Journal of Analytical Chemistry, 2024, v. 79, n. 4, p. 440, doi. 10.1134/S1061934824040087

By:

Kim, P. V.;
Polyakova, E. V.;
Nikolaev, R. E.

Publication type:

Article

Determination of Alkali and Alkaline-Earth Metals in Water by Microwave Plasma Atomic Emission Spectrometry with the Addition of a Stabilizing Element.

Published in:

Journal of Analytical Chemistry, 2022, v. 77, n. 12, p. 1526, doi. 10.1134/S1061934822120152

By:

Vasil'eva, M. A.;
Polyakova, E. V.

Publication type:

Article

Determination of the ionization coefficient of carbon on an example of silicate glasses analysis by secondary ion mass spectrometry (SIMS).

Published in:

Journal of Analytical Chemistry, 2016, v. 71, n. 10, p. 1033, doi. 10.1134/S1061934816100038

By:

Bronsky, V.;
Shilobreeva, S.

Publication type:

Article

Application of tandem calibration for the direct analysis of copper by inductively coupled plasma atomic emission spectrometry (ICP-AES).

Published in:

Journal of Analytical Chemistry, 2013, v. 68, n. 8, p. 685, doi. 10.1134/S1061934813080078

By:

Medvedev, N.;
Kukarin, V.;
Saprykin, A.

Publication type:

Article

Fe/O ratio variations during the disturbed stage in the development of the solar cosmic ray fluxes: Manifestations of the first ionization potential effect in the solar cosmic ray composition.

Published in:

Geomagnetism & Aeronomy, 2016, v. 56, n. 2, p. 203, doi. 10.1134/S0016793216020110

By:

Minasyants, G.;
Minasyants, T.;
Tomozov, V.

Publication type:

Article

Comprehensive Fragrance Profiling of Ginger, Wintergreen, and Rosemary Essential Oils by GC-TOF-MS with Soft Electron Ionization.

Published in:

LC-GC Europe, 2016, p. 18

By:

Barden, David;
McGregor, Laura;
Smith, Steve

Publication type:

Article

Chemistry of the elements at the end of the actinide series using their low-energy ion-beams.

Published in:

Radiochimica Acta, 2022, v. 110, n. 6-9, p. 441, doi. 10.1515/ract-2022-0001

By:

Sato, Tetsuya K.;
Nagame, Yuichiro

Publication type:

Article

Direct mass measurements and ionization potential measurements of the actinides.

Published in:

Radiochimica Acta, 2019, v. 107, n. 9-11, p. 821, doi. 10.1515/ract-2019-3143

By:

Block, Michael

Publication type:

Article

Nuclear and chemical characterization of heavy actinides.

Published in:

Radiochimica Acta, 2019, v. 107, n. 9-11, p. 803, doi. 10.1515/ract-2019-3133

By:

Nagame, Yuichiro

Publication type:

Article

Predictions of redox potentials of Sg in acid solutions as a function of pH.

Published in:

Radiochimica Acta, 2013, v. 101, n. 12, p. 749, doi. 10.1524/ract.2013.2121

By:

Pershina, V.

Publication type:

Article