Showing 1,501 - 1,515 results of 1,515 for search '"Computational Chemistry"', query time: 0.20s Refine Results
  1. 1501
    Synthesis and Density Functional Theory Studies of Azirinyl and Oxiranyl Functionalized Isoindigo and (3<em>Z</em>,3’<em>Z</em>)-3,3’-(ethane-1,2-diylidene)bis(indolin-2-one) Derivatives

    Synthesis and Density Functional Theory Studies of Azirinyl and Oxiranyl Functionalized Isoindigo and (3<em>Z</em>,3’<em>Z</em>)-3,3’-(ethane-1,2-diylidene)bis(indolin-2-one) Deriv... by Gholamhossein Khalili, Patrick M. McCosker, Timothy Clark, Paul A. Keller

    Published 2019-10-01
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  2. 1502
    SERUM YKL-40 LEVELS IN CHRONIC HEART FAILURE.

    SERUM YKL-40 LEVELS IN CHRONIC HEART FAILURE. by Maria Kazakova, Petar Nikolov, Kiril Simitchiev, Fedya Nikolov, Victoria Sarafian

    Published 2014-06-01
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  3. 1503
    Structural and Energetic Aspects of Entacapone-Theophylline-Water Cocrystal

    Structural and Energetic Aspects of Entacapone-Theophylline-Water Cocrystal by Anna Karagianni, Julian Quodbach, Oliver Weingart, Anastasia Tsiaxerli, Vasiliki Katsanou, Vera Vasylyeva, Christoph Janiak, Kyriakos Kachrimanis

    Published 2022-02-01
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  4. 1504
    Evaluation of Tavorite-Structured Cathode Materials for Lithium-Ion Batteries Using High-Throughput Computing

    Evaluation of Tavorite-Structured Cathode Materials for Lithium-Ion Batteries Using High-Throughput Computing by Mueller, Timothy K., Hautier, Geoffroy, Jain, Anubhav, Ceder, Gerbrand

    Published 2013
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  5. 1505
    Interaction of Thymine DNA Glycosylase with Oxidised 5-Methyl-cytosines in Their Amino- and Imino-Forms

    Interaction of Thymine DNA Glycosylase with Oxidised 5-Methyl-cytosines in Their Amino- and Imino-Forms by Senta Volkenandt, Frank Beierlein, Petra Imhof

    Published 2021-09-01
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  6. 1506
    Strong YKL-40 expression in the invasive tumor front of colorectal cancer–A pilot study

    Strong YKL-40 expression in the invasive tumor front of colorectal cancer–A pilot study by Maria Kazakova, Tsvetomira Ivanova, Dorian Dikov, Diana Molander, Kiril Simitchiev, Yordan Sbirkov, Angel M. Dzhambov, Victoria Sarafian

    Published 2024-03-01
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  7. 1507
    Novel Anthranilic Acid Hybrids—An Alternative Weapon against Inflammatory Diseases

    Novel Anthranilic Acid Hybrids—An Alternative Weapon against Inflammatory Diseases by Miglena Milusheva, Mina Todorova, Vera Gledacheva, Iliyana Stefanova, Mehran Feizi-Dehnayebi, Mina Pencheva, Paraskev Nedialkov, Yulian Tumbarski, Velichka Yanakieva, Slava Tsoneva, Stoyanka Nikolova

    Published 2023-11-01
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  8. 1508
    Unified model for singlet fission within a non-conjugated covalent pentacene dimer

    Unified model for singlet fission within a non-conjugated covalent pentacene dimer by Bettina S. Basel, Johannes Zirzlmeier, Constantin Hetzer, Brian T. Phelan, Matthew D. Krzyaniak, S. Rajagopala Reddy, Pedro B. Coto, Noah E. Horwitz, Ryan M. Young, Fraser J. White, Frank Hampel, Timothy Clark, Michael Thoss, Rik R. Tykwinski, Michael R. Wasielewski, Dirk M. Guldi

    Published 2017-05-01
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  9. 1509
    Protonation-State Dependence of Hydration and Interactions in the Two Proton-Conducting Channels of Cytochrome c Oxidase

    Protonation-State Dependence of Hydration and Interactions in the Two Proton-Conducting Channels of Cytochrome c Oxidase by Rene F. Gorriz, Senta Volkenandt, Petra Imhof

    Published 2023-06-01
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  10. 1510
    Synthesis, Molecular Docking, and Biological Evaluation of Novel Anthranilic Acid Hybrid and Its Diamides as Antispasmodics

    Synthesis, Molecular Docking, and Biological Evaluation of Novel Anthranilic Acid Hybrid and Its Diamides as Antispasmodics by Miglena Milusheva, Vera Gledacheva, Iliyana Stefanova, Mehran Feizi-Dehnayebi, Rositsa Mihaylova, Paraskev Nedialkov, Emiliya Cherneva, Yulian Tumbarski, Slava Tsoneva, Mina Todorova, Stoyanka Nikolova

    Published 2023-09-01
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  11. 1511
    GLORY: Generator of the Structures of Likely Cytochrome P450 Metabolites Based on Predicted Sites of Metabolism

    GLORY: Generator of the Structures of Likely Cytochrome P450 Metabolites Based on Predicted Sites of Metabolism by Christina de Bruyn Kops, Conrad Stork, Martin Šícho, Martin Šícho, Nikolay Kochev, Nikolay Kochev, Daniel Svozil, Nina Jeliazkova, Johannes Kirchmair, Johannes Kirchmair, Johannes Kirchmair

    Published 2019-06-01
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  12. 1512
    Correlation between Bone Mineral Density and Progression of Hip Osteoarthritis in Adult Men and Women in Bulgaria—Results from a 7-Year Study

    Correlation between Bone Mineral Density and Progression of Hip Osteoarthritis in Adult Men and Women in Bulgaria—Results from a 7-Year Study by Lyubomir Sapundzhiev, Tanya Sapundzhieva, Martin Mitev, Kiril Simitchiev, Anastas Batalov

    Published 2023-02-01
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  13. 1513
    Phytochemical Variability, In Vitro and In Vivo Biological Investigations, and In Silico Antibacterial Mechanisms of <i>Mentha piperita</i> Essential Oils Collected from Two Different Regions in Morocco

    Phytochemical Variability, In Vitro and In Vivo Biological Investigations, and In Silico Antibacterial Mechanisms of <i>Mentha piperita</i> Essential Oils Collected from Two Differ... by Samiah Hamad Al-Mijalli, Nidal Naceiri Mrabti, Hayat Ouassou, Ryan A. Sheikh, Emad M. Abdallah, Hamza Assaggaf, Saad Bakrim, Mohammed Merae Alshahrani, Ahmed Abdullah Al Awadh, Ahmed Qasem, Ammar Attar, Learn-Han Lee, Abdelhakim Bouyahya, Khang Wen Goh, Long Chiau Ming, Hanae Naceiri Mrabti

    Published 2022-11-01
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  14. 1514
    Chemical Composition and Antioxidant, Antimicrobial, and Anti-Inflammatory Properties of <i>Origanum compactum</i> Benth Essential Oils from Two Regions: In Vitro and In Vivo Evidence and In Silico Molecular Investigations

    Chemical Composition and Antioxidant, Antimicrobial, and Anti-Inflammatory Properties of <i>Origanum compactum</i> Benth Essential Oils from Two Regions: In Vitro and In Vivo Evide... by Samiah Hamad Al-Mijalli, Nidal Naceiri Mrabti, Hayat Ouassou, Ryan A. Sheikh, Hamza Assaggaf, Saad Bakrim, Emad M. Abdallah, Mohammed Merae Alshahrani, Ahmed Abdullah Al Awadh, Learn-Han Lee, Yusra AlDhaheri, Amirhossein Sahebkar, Gokhan Zengin, Ammar A. Attar, Abdelhakim Bouyahya, Hanae Naceiri Mrabti

    Published 2022-10-01
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  15. 1515
    Exponentially Correlated Hylleraas–Configuration Interaction Studies of Atomic Systems. III. Upper and Lower Bounds to He-Sequence Oscillator Strengths for the Resonance <sup>1</sup>S→<sup>1</sup>P Transition

    Exponentially Correlated Hylleraas–Configuration Interaction Studies of Atomic Systems. III. Upper and Lower Bounds to He-Sequence Oscillator Strengths for the Resonance <sup>1</su... by James S. Sims, Bholanath Padhy, María Belén Ruiz Ruiz

    Published 2023-07-01
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