المؤلفون: P. Rajamani, V. Vijayakumar, N. Sundaraganesan, Mani Jeeva, Maria Susai Boobalan

المصدر: Results in Chemistry, Vol 3, Iss , Pp 100096- (2021)

مصطلحات موضوعية: DFT, FT-IR, FT-Raman, MEP, Molecular docking, Chemistry, QD1-999

وصف الملف: electronic resource

Relation: http://www.sciencedirect.com/science/article/pii/S2211715621000011; https://doaj.org/toc/2211-7156

URL الوصول: https://doaj.org/article/fa01b08bbe94489caad9466b3ee2bf34

المؤلفون: Nidhi Agnihotri, R. Anantharaj, K.A. Anju, Umaiyambika Neduvel Annal, Kirtikumar C. Badgujar, Vivek C. Badgujar, Sholinghur Asuri Bhakthochidan, Bhalchandra M. Bhanage, Maria Susai Boobalan, Elsa Cherian, S. Chozhavendhan, Pinaki Dey, Pritam Dey, Bijay Dhakal, V. Dhithya, Kevin Joseph Dilip, K. Divakar, Kaleab Bizuneh Gebeyehu, Jenet George, Manjot Gill, D. Gnana Prakash, Edgard Gnansounou, K. Gomathi, B. Gopalakrishnan, M. Gopinath, Bhargavi Gunturu, Geetika Gupta, Baskar Gurunathan, Adam Shahul Hameed, Jeehoon Han, J. Iyyappan, Samuel Jacob, Mani Jayakumar, G. Kalavathy, V. Kanishka, Natchimuthu Karmegam, S. Karthikadevi, Ilango Karuppasamy, A. Kaviprabha, R. Kheerthivasan, Chandraraj Krishnan, Amit Kumar, Selvakumar Kuppusamy Vaithilingam, Vinoj Kurian, Ratna Dewi Kusumaningtyas, Ririn Mahmudati, Prasad Mandade, Vijay Mani, Shyam Kumar Masakapalli, Samir Meramo, Bishwambhar Mishra, Lakshmi Mohan, Upasana Mohanty, Monoj Kumar Mondal, A. Muthu Kumara Pandian, Praveena Nagarajan, E. Nakkeeran, Arunodhaya Natarajan, Jayato Nayak, Yogesh M. Nimdeo, Louis Anto Nirmal, Ashok Pandey, Sivakumar Pandian, Senthil Kumar Ponnusamy, Haniif Prasetiawan, S. Prathiba, A. Priyanka, Indah Purnamasari, G.B. Radhika, Gobinath Rajagopalan, M. Rajamehala, Y. Rajasri, Naveenkumar Rajendran, Geethalakshmi Ramakrishnan, P. Ramesh, Panneerselvam Ranganathan, Abiram Karanam Rathankumar, Srimanta Ray, C. Nagendranatha Reddy, Veeraraghavan Babulu Roshini, Renganathan Sahadevan, Kongkona Saikia, P. Saranya, Priyanka Saravanan, Anna Shaji, A. Shalini, Nadeem Siddiqui, G. Srinivas, T. Srinivas, Renugaa Su, V. Swapna, Jyotika Thakur, Vinoth Kumar Vaidyanathan, A. Vaishnavi, M. Vichitra, M. Vijay Pradhap Singh, Y. Vineetha, Ravichandran Vishal, Kailas L. Wasewar, E. Yuvanashree

URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_________::df69d82d11f86d9ea3a32a07beb10b0f
https://doi.org/10.1016/b978-0-323-90040-9.00005-9

المؤلفون: Mani Jayakumar, Selvakumar Kuppusamy Vaithilingam, Natchimuthu Karmegam, Kaleab Bizuneh Gebeyehu, Maria Susai Boobalan, Baskar Gurunathan

URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_________::497e80890522f7c424cdc2255bfb6b77
https://doi.org/10.1016/b978-0-323-90040-9.00015-1

المؤلفون: Mani Jeeva, V. Vijayakumar, P. Rajamani, Maria Susai Boobalan, N. Sundaraganesan

المصدر: Journal of Molecular Structure. 1197:417-429

مصطلحات موضوعية: 010405 organic chemistry, Chemistry, Organic Chemistry, Formaldehyde, Carbon-13 NMR, 010402 general chemistry, Energy minimization, 01 natural sciences, 0104 chemical sciences, Analytical Chemistry, Inorganic Chemistry, chemistry.chemical_compound, Delocalized electron, Computational chemistry, Molecule, HOMO/LUMO, Lone pair, Spectroscopy, Naphthalene

URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_________::ead239bbd35fdf0789a0f971c9722270
https://doi.org/10.1016/j.molstruc.2019.07.040

المؤلفون: Maria Susai Boobalan, G. Vinitha, K. Elangovan, A. Senthil

المصدر: Journal of Molecular Structure. 1196:720-733

مصطلحات موضوعية: 010405 organic chemistry, Chemistry, Organic Chemistry, Physics::Optics, Hyperpolarizability, 010402 general chemistry, 01 natural sciences, 0104 chemical sciences, Analytical Chemistry, Inorganic Chemistry, Crystal, Polarizability, Condensed Matter::Superconductivity, Physical chemistry, Density functional theory, Molecular orbital, Single crystal, Spectroscopy, Natural bond orbital, Monoclinic crystal system

URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_________::178eeafad47af8486ce51f40fcd1bf1d
https://doi.org/10.1016/j.molstruc.2019.07.011

المؤلفون: Venkatachalam Tamilmani, Maria Susai Boobalan, Rajadurai Vijay Solomon, Duraikannu Gajalakshmi

المصدر: Computational Materials Science. 162:60-68

مصطلحات موضوعية: Materials science, General Computer Science, General Physics and Astronomy, 02 engineering and technology, 010402 general chemistry, 01 natural sciences, Oligomer, chemistry.chemical_compound, Exciton binding energy, Furan, Thiophene, General Materials Science, Molecular orbital, Exergonic reaction, business.industry, General Chemistry, Time-dependent density functional theory, 021001 nanoscience & nanotechnology, Thiophene derivatives, 0104 chemical sciences, Computational Mathematics, chemistry, Mechanics of Materials, Optoelectronics, 0210 nano-technology, business

URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_________::236c821ad5638a148aed27bf06a9f091
https://doi.org/10.1016/j.commatsci.2019.02.015

المؤلفون: M Sumithra, Susairaj Jone Pradeepa, D Tamilvendan, Maria Susai Boobalan, N Sundaraganesan

المصدر: Chemical Physics Letters. 806:140047

مصطلحات موضوعية: General Physics and Astronomy, Physical and Theoretical Chemistry

URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_________::94c41518261c4a2a3561a5f41da5f9b4
https://doi.org/10.1016/j.cplett.2022.140047

المؤلفون: Selvarasu, Sekar, Srinivasan, Pazhamalai, Mannathusamy, Gopalakrishnan, Maria Susai, Boobalan

المساهمون: Haramaya University, Corporation for National and Community Service

المصدر: Chemical Data Collections ; volume 32, page 100648 ; ISSN 2405-8300

الاتاحة: http://dx.doi.org/10.1016/j.cdc.2021.100648
https://api.elsevier.com/content/article/PII:S2405830021000033?httpAccept=text/xml
https://api.elsevier.com/content/article/PII:S2405830021000033?httpAccept=text/plain

المؤلفون: Susairaj, Jone Pradeepa, Kaya, Savaş, Ramamoorthy, R., Teju, Endale, Maria Susai, Boobalan

المصدر: Chemistry Africa ; volume 3, issue 2, page 371-390 ; ISSN 2522-5758 2522-5766

الاتاحة: http://dx.doi.org/10.1007/s42250-020-00137-4
https://link.springer.com/content/pdf/10.1007/s42250-020-00137-4.pdf
https://link.springer.com/article/10.1007/s42250-020-00137-4/fulltext.html

المؤلفون: G. Venkatesa Prabhu, Maria susai Boobalan, Mani Jeeva

المصدر: Research on Chemical Intermediates. 44:425-454

مصطلحات موضوعية: Tafel equation, Langmuir, Inorganic chemistry, Hydrochloric acid, 02 engineering and technology, General Chemistry, Mannich base, 010402 general chemistry, 021001 nanoscience & nanotechnology, Electrochemistry, 01 natural sciences, Pyrrolidine, 0104 chemical sciences, chemistry.chemical_compound, Corrosion inhibitor, Adsorption, chemistry, 0210 nano-technology

URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_________::bc3002e768f5998b7114f5124191f31b
https://doi.org/10.1007/s11164-017-3112-3

المؤلفون: N. Sundaraganesan, S. Sebastian, Maria Susai Boobalan, D. Tamilvendan, S. Jone Pradeepa, Kun Qian

المصدر: Journal of Molecular Structure. 1135:53-66

مصطلحات موضوعية: 010405 organic chemistry, Chemistry, Organic Chemistry, Hyperpolarizability, Electronic structure, 010402 general chemistry, 01 natural sciences, 0104 chemical sciences, Analytical Chemistry, Inorganic Chemistry, Molecular geometry, Computational chemistry, Thermochemistry, Molecule, Physical chemistry, Density functional theory, Spectroscopy, Basis set, Natural bond orbital

URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_________::eff7ee72764c9a66b57341cb223b2e55
https://doi.org/10.1016/j.molstruc.2017.01.020

المؤلفون: S. Anthuvan Babu, S. Selvakumar, A. Leo Rajesh, Maria susai Boobalan, S. Ramalingam

المصدر: Journal of Molecular Structure. 1125:1-11

مصطلحات موضوعية: 010302 applied physics, Chemistry, Organic Chemistry, Analytical chemistry, Hyperpolarizability, 02 engineering and technology, 021001 nanoscience & nanotechnology, 01 natural sciences, Analytical Chemistry, Inorganic Chemistry, Delocalized electron, Molecular geometry, 0103 physical sciences, Molecule, Density functional theory, 0210 nano-technology, Ground state, Single crystal, Spectroscopy, Natural bond orbital

URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_________::40131b4bfb5fb713aa0bdec5f5768e05
https://doi.org/10.1016/j.molstruc.2016.05.104

المؤلفون: N. Sundaraganesan, Maria susai Boobalan, S. Jone Pradeepa, D. Tamilvendan

المصدر: Journal of Molecular Structure. 1112:33-44

مصطلحات موضوعية: Chemistry, Organic Chemistry, Hyperpolarizability, 02 engineering and technology, Nuclear magnetic resonance spectroscopy, Electronic structure, Time-dependent density functional theory, 010402 general chemistry, 021001 nanoscience & nanotechnology, 01 natural sciences, Potential energy, Spectral line, 0104 chemical sciences, Analytical Chemistry, Inorganic Chemistry, Computational chemistry, Molecular orbital, 0210 nano-technology, Spectroscopy, Natural bond orbital

URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_________::12240424bd971d720c5cc512df7e03fe
https://doi.org/10.1016/j.molstruc.2016.01.026

المؤلفون: Gemechu, Zewdu Bezu¹ (AUTHOR), Maria Susai, Boobalan¹ (AUTHOR), Taddesse, Abi M.¹ (AUTHOR), Bedada, Endale Teju¹ (AUTHOR), Ramamoorthy, R.² (AUTHOR)

المصدر: Journal of Chemistry. 10/31/2021, p1-14. 14p.

مصطلحات موضوعية: *METAL complexes, *ELECTRONIC structure, *NATURAL orbitals, *CHEMICAL bonds, *ELECTRON affinity, *ACETAMIDE, *STAPHYLOCOCCUS aureus

المؤلفون: Palaniappan Subramani, Maria Susai Boobalan, D. Tamilvendan, Krishnan Sarojini Devi, N. Sundaraganesan

المصدر: Journal of Molecular Structure. 1219:128604

مصطلحات موضوعية: 010405 organic chemistry, Organic Chemistry, Electronic structure, Mannich base, Time-dependent density functional theory, 010402 general chemistry, 01 natural sciences, 0104 chemical sciences, Analytical Chemistry, Inorganic Chemistry, chemistry.chemical_compound, chemistry, Computational chemistry, Molecule, Molecular orbital, Density functional theory, Spectroscopy, Basis set, Natural bond orbital

URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_________::3c751d1717d4e214d010c7124fa8d04c
https://doi.org/10.1016/j.molstruc.2020.128604

المؤلفون: Mahabir Prasad Kaushik, Andivelu Ilangovan, Karnambaram Anandhan, Perumal Venkatesan, C. Arunagiri, Maria susai Boobalan

المصدر: Journal of Molecular Structure. 1097:185-198

مصطلحات موضوعية: Xanthene, Organic Chemistry, Cyclohexane conformation, Electronic structure, Crystal structure, Triclinic crystal system, Analytical Chemistry, Inorganic Chemistry, chemistry.chemical_compound, Crystallography, chemistry, Molecular orbital, Density functional theory, Spectroscopy, Natural bond orbital

URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_________::7211ffa81167d5878c234f444f137e7f
https://doi.org/10.1016/j.molstruc.2015.05.025

المؤلفون: Chinnaiyan Mahalingam Rajesh, G. Venkatesa Prabhu, Maria susai Boobalan, Mani Jeeva

المصدر: The Journal of Physical Chemistry C. 119:22025-22043

مصطلحات موضوعية: Langmuir, Inorganic chemistry, Hydrochloric acid, Surfaces, Coatings and Films, Electronic, Optical and Magnetic Materials, Corrosion, Dielectric spectroscopy, chemistry.chemical_compound, General Energy, Adsorption, chemistry, Urea, Molecule, Physical and Theoretical Chemistry, Inhibitory effect

URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_________::e58f9bd68f8a95ed386065614cddb8ad
https://doi.org/10.1021/acs.jpcc.5b05788

المؤلفون: Maria Susai Boobalan, Sivan Velmathi, Duraisamy Udhayakumari

المصدر: Journal of Fluorine Chemistry. 175:180-184

مصطلحات موضوعية: Nucleophilic addition, Aqueous solution, Schiff base, Organic Chemistry, Photochemistry, Biochemistry, Combinatorial chemistry, Ion, Inorganic Chemistry, chemistry.chemical_compound, chemistry, Proton NMR, Environmental Chemistry, Titration, Physical and Theoretical Chemistry, Selectivity, Fluoride

URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_________::f3507848620483498fa2977955c3c914
https://doi.org/10.1016/j.jfluchem.2015.04.014

المؤلفون: Bushra Ahmed, Reshad, Maria Susai, Boobalan, Sadasivuni, Kishor Kumar, G, Neelaiah Babu, Evecen, Meryem, R, Ramamoorthy

الاتاحة: http://dx.doi.org/10.2139/ssrn.4630901

المؤلفون: M. Amaladasan, Mohamed Bououdina, G. Venkatesa Prabhu, D. Tamilvendan, Maria susai Boobalan, S. Ramalingam

المصدر: Journal of Molecular Structure. 1081:159-174

مصطلحات موضوعية: Organic Chemistry, Enthalpy, Electronic structure, Mannich base, Carbon-13 NMR, Heat capacity, Analytical Chemistry, Inorganic Chemistry, chemistry.chemical_compound, chemistry, Computational chemistry, Molecular orbital, HOMO/LUMO, Spectroscopy, Natural bond orbital

URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_________::95e9e0893106c0bbd50ff3def29f0c87
https://doi.org/10.1016/j.molstruc.2014.10.003