يعرض 1 - 10 نتائج من 427 نتيجة بحث عن '"HOMO and LUMO"', وقت الاستعلام: 0.96s تنقيح النتائج
  1. 1
    دورية أكاديمية
    Theoretical elucidation of the structure, bonding, and reactivity of the CaMn4Ox clusters in the whole Kok cycle for water oxidation embedded in the oxygen evolving center of photosystem II. New molecular and quantum insights into the mechanism of the O–O bond formation

    المؤلفون: Yamaguchi, KizashiAff1, Aff2, Aff6, IDs11120023010537_cor1, Miyagawa, Koichi, Shoji, Mitsuo, Kawakami, TakashiAff2, Aff4, Isobe, Hiroshi, Yamanaka, Shusuke, Nakajima, Takahito

    المصدر: Photosynthesis Research: Official Journal of the International Society of Photosynthesis Research. :1-40

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  2. 2
    دورية أكاديمية
    Study on the electronics and structural properties of transition metal–doped La2Mo2O9

    المؤلفون: Gaur, Priyanshi, Pandey, Brijesh KumarAff1, IDs00894024058882_cor2, Shriwastav, Mayank, Gupta, Abhishek Kumar, Srivastava, Priyanshu

    المصدر: Journal of Molecular Modeling: Computational Chemistry - Life Science - Advanced Materials - New Methods. 30(3)

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  3. 3
    دورية أكاديمية
    Physical analysis of aspirin in different phases and states using density functional theory

    المؤلفون: Manoj Sah, Mukesh Khadka, Hari Prasad Lamichhane, Hari Shankar Mallik

    المصدر: Heliyon, Vol 10, Iss 11, Pp e32610- (2024)

    مصطلحات موضوعية: HOMO AND LUMO, Mulliken atomic charge, DOS, MEP, Spectroscopy, Science (General), Q1-390, Social sciences (General), H1-99

    وصف الملف: electronic resource

    Relation: http://www.sciencedirect.com/science/article/pii/S2405844024086419; https://doaj.org/toc/2405-8440

    URL الوصول: https://doaj.org/article/b9324f24e8e54eb4abf4e85c03d75db7

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  4. 4
    مؤتمر
    Structural, electronic and vibrational properties of DL-histidine

    المؤلفون: Boukaoud, Abdelali, Chiba, Younes, Aissou, Samiya, Dehbaoui, Mourad, Guessabi, Nouara

    المصدر: 2018 International Conference on Applied Smart Systems (ICASS) Applied Smart Systems (ICASS), 2018 International Conference on. :1-5 Nov, 2018

    Relation: 2018 International Conference on Applied Smart Systems (ICASS)

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  5. 5
    مؤتمر
    Organic Solar Cell: Operating Principle, Performance Parameters, Structures and Its Advantages

    المؤلفون: Najam, Suboori, Kumar, Brijesh

    المصدر: 2018 5th IEEE Uttar Pradesh Section International Conference on Electrical, Electronics and Computer Engineering (UPCON) Electrical, Electronics and Computer Engineering (UPCON), 2018 5th IEEE Uttar Pradesh Section International Conference on. :1-6 Nov, 2018

    Relation: 2018 5th IEEE Uttar Pradesh Section International Conference on Electrical, Electronics and Computer Engineering (UPCON)

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  6. 6
    دورية أكاديمية
    Methyl orange-doped thiourea barium chloride crystals: Natural bond orbital analysis of the fock matrix for laser applications

    المؤلفون: S. Panimalar, P. Kumaresan, S. Nithiyanantham, K. Selva Sambath Kumar, R. Mohan

    المصدر: Vietnam Journal of Science, Technology and Engineering, Vol 65, Iss 4 (2023)

    مصطلحات موضوعية: HOMO and LUMO, methyl orange, nonlinear optical studies, thermodynamic parameters, thiourea barium chloride crystal, Science

    وصف الملف: electronic resource

    Relation: https://vietnamscience.vjst.vn/index.php/vjste/article/view/1167; https://doaj.org/toc/2525-2461; https://doaj.org/toc/2615-9937

    URL الوصول: https://doaj.org/article/696ae33282d54c6bb5306c93fcdb6a9e

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  7. 7
    دورية أكاديمية
    Thermal stability and theoretical analysis of madder dye absorption pattern on cotton fabric

    المؤلفون: B. SenthilKumar, Sundar M, Ramasubbu R, Dominic J, Gowri Shannkari B, Chitra Devi S

    المصدر: Heliyon, Vol 9, Iss 11, Pp e22188- (2023)

    مصطلحات موضوعية: Dye, Madder, HOMO and LUMO, Cellulose, Adsorption andBinding energy, Science (General), Q1-390, Social sciences (General), H1-99

    وصف الملف: electronic resource

    Relation: http://www.sciencedirect.com/science/article/pii/S2405844023093969; https://doaj.org/toc/2405-8440

    URL الوصول: https://doaj.org/article/04506d9bd37d4861a0a92fcb5845d06f

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  8. 8
    دورية أكاديمية
    Organophilic clays for efficient removal of eosin Y dye properties

    المؤلفون: Shaheed A. Papoola, Hmoud Al Dmour, Boulanouar Messaoudi, Is Fatimah, Souad Rakass, Yan Liu, Fethi Kooli

    المصدر: Journal of Saudi Chemical Society, Vol 27, Iss 5, Pp 101723- (2023)

    مصطلحات موضوعية: Organophilic clays, Organoclays, Cetyltrimethylammonium bromide, Exchange reaction, Eosin, HOMO and LUMO of eosin, Chemistry, QD1-999

    وصف الملف: electronic resource

    Relation: http://www.sciencedirect.com/science/article/pii/S1319610323001278; https://doaj.org/toc/1319-6103

    URL الوصول: https://doaj.org/article/196ec9fadb684c2ea103c2677ad2a150

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  9. 9
    دورية أكاديمية
    Density Functional Theory and Computational Simulation of the Molecular Structure on Corrosion of Carbon Steel in Acidic Media of Some Amino Acids

    المؤلفون: Mamand, Dyari Mustafa, Qadr, Hiwa MohammadAff1, IDS0036024422100193_cor2

    المصدر: Russian Journal of Physical Chemistry A: Focus on Chemistry. 96(10):2155-2165

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  10. 10
    دورية أكاديمية
    Fluorescent indolo[2,3-b]quinoxalin-2-yl(phenyl)methanone dyes: photophysical, AIE activity, electrochemical, and theoretical studies

    المؤلفون: Kanekar, Deepali N., Dhanawade, Sudhakar S., Jadhav, Anand B., Ghadiyali, Mohmmed, Chacko, Sajeev, Kamble, Rajesh M.Aff1, IDs00706022029740_cor6

    المصدر: Monatshefte für Chemie - Chemical Monthly: An International Journal of Chemistry. 153(10):895-906

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