المؤلفون: Abdulmajeed Abdullah Alayyaf, M. Ali, Moayad Abdullah Alwehaibi, Muhanna K. Al-Muhanna, Saied M. Soliman, Mar Ríos-Gutiérrez, Matti Haukka, Assem Barakat

المصدر: BMC Chemistry, Vol 18, Iss 1, Pp 1-16 (2024)

مصطلحات موضوعية: Spirooxindoles, Triazole, Heterocycle, Molecular Electron Density Theory (MEDT), Chemistry, QD1-999

وصف الملف: electronic resource

Relation: https://doaj.org/toc/2661-801X

URL الوصول: https://doaj.org/article/19ddf8052d8f476abb7f6ca8e3b9ddfc

المؤلفون: Agnieszka Łapczuk, Mar Ríos-Gutiérrez

المصدر: Molecules, Vol 30, Iss 1, p 85 (2024)

مصطلحات موضوعية: [3+2] cycloaddition, nitrilimine, reactivity, molecular mechanism, molecular electron density theory, 1,2,4-triazole, Organic chemistry, QD241-441

وصف الملف: electronic resource

Relation: https://www.mdpi.com/1420-3049/30/1/85; https://doaj.org/toc/1420-3049

URL الوصول: https://doaj.org/article/ddce10509d3b4ae2b332c0732cc074af

المؤلفون: Luis R. Domingo, Patricia Pérez, Mar Ríos-Gutiérrez, M. José Aurell

المصدر: Tetrahedron Chem, Vol 10, Iss , Pp 100064- (2024)

مصطلحات موضوعية: Diels-Alder reactions, Hydrogen bonds, Catalysis, Stereoselectivity, Molecular electron density theory, Organic chemistry, QD241-441

وصف الملف: electronic resource

Relation: http://www.sciencedirect.com/science/article/pii/S2666951X24000032; https://doaj.org/toc/2666-951X

URL الوصول: https://doaj.org/article/e8fe9762334b4be885a7300d62fb07d1

المؤلفون: Abderrazzak Bouhaoui, Aziz Moumad, Luis R. Domingo, Latifa Bouissane

المصدر: Molecules, Vol 29, Iss 21, p 5109 (2024)

مصطلحات موضوعية: molecular electron density theory, hetero-Diels–Alder, ambident heterodiene, 3-methylene-2,4-chromandione, methyl vinyl ether, pseudocyclic selectivity, Organic chemistry, QD241-441

وصف الملف: electronic resource

Relation: https://www.mdpi.com/1420-3049/29/21/5109; https://doaj.org/toc/1420-3049

URL الوصول: https://doaj.org/article/aaf39fe9f7f4427e80f6bd7578bfc5d8

المؤلفون: Maksim N. Zavalishin, Aleksei N. Kiselev, George A. Gamov

المصدر: Molecules, Vol 29, Iss 15, p 3504 (2024)

مصطلحات موضوعية: Schiff base, hydrolysis, rate constant, molecular orbitals, molecular electron density theory (MEDT), Organic chemistry, QD241-441

وصف الملف: electronic resource

Relation: https://www.mdpi.com/1420-3049/29/15/3504; https://doaj.org/toc/1420-3049

URL الوصول: https://doaj.org/article/7fb88eb70c2245c2bc956c570db26b57

المؤلفون: Mohammed Salih, Sabir A., Basheer, Huda A., Julián-Ortiz, Jesús Vicente de, Mohammad-Salim, Haydar

المصدر: Sabir A. Mohammed Salih Huda A. Basheer Jesus Vicente de Julián-Ortiz Haydar A. Mohammad-Salim 2023 Unveiling the stereoselectivity and regioselectivity of the [3+2] cycloaddition reaction between N-methyl-C-4-methylphenyl-nitrone and 2-propynamide from a MEDT perspective International Journal Of Molecular Sciences 24 10 9102

مصطلحات موضوعية: molecular electron density theory, nitrone, cycloaddition reactions, electron localization function, física, UNESCO::FÍSICA

وصف الملف: application/pdf

Relation: International Journal Of Molecular Sciences, 2023, vol. 24, num. 10, p. 9102; Salih, S.A.M.; Basheer, H.A.; de Julián-Ortiz, J.V.; Mohammad-Salim, H.A. Unveiling the Stereoselectivity and Regioselectivity of the [3+2] Cycloaddition Reaction between N-methyl-C-4-methylphenyl-nitrone and 2-Propynamide from a MEDT Perspective. Int. J. Mol. Sci. 2023, 24, 9102. https://doi.org/10.3390/ijms24109102; https://hdl.handle.net/10550/95697; 162575; https://www.mdpi.com/1422-0067/24/10/9102

الاتاحة: https://hdl.handle.net/10550/95697
https://doi.org/10.3390/ijms24109102
https://www.mdpi.com/1422-0067/24/10/9102

المؤلفون: Luis R. Domingo, Mar Ríos-Gutiérrez

المصدر: Molecules, Vol 29, Iss 8, p 1870 (2024)

مصطلحات موضوعية: global electron density transfer, molecular electron density theory, polar reactions, interacting quantum atoms, interacting quantum fragments, theoretical chemistry, Organic chemistry, QD241-441

Relation: https://www.mdpi.com/1420-3049/29/8/1870; https://doaj.org/toc/1420-3049; https://doaj.org/article/29e78d7b99ec4807891cec8786c65c59

الاتاحة: https://doi.org/10.3390/molecules29081870
https://doaj.org/article/29e78d7b99ec4807891cec8786c65c59

المؤلفون: Alayyaf, Abdulmajeed Abdullah, Ali, M., Alwehaibi, Moayad Abdullah, Al-Muhanna, Muhanna K., Soliman, Saied M., Ríos-Gutiérrez, Mar, Haukka, Matti, Barakat, Assem

مصطلحات موضوعية: spirooxindoles, triazole, heterocycle, Molecular Electron Density Theory (MEDT), rakenneanalyysi, kidetiede, kompleksiyhdisteet, kemiallinen synteesi

وصف الملف: application/pdf; fulltext

Relation: BMC Chemistry; 18; CONVID_243960555

الاتاحة: http://urn.fi/URN:NBN:fi:jyu-202411207366

المؤلفون: Assem Barakat, Saeed Alshahrani, Abdullah Mohammed Al-Majid, Abdullah Saleh Alamary, Matti Haukka, Marwa M. Abu-Serie, Luis R. Domingo, Sajda Ashraf, Zaheer Ul-Haq, Mohamed S. Nafie, Mohamed Teleb

المصدر: Journal of Enzyme Inhibition and Medicinal Chemistry, Vol 38, Iss 1 (2023)

مصطلحات موضوعية: Spiro-indeno[12-b]quinoxalines, Molecular Electron Density Theory, Lung Cancer, CDK2, Molecular dynamics, Therapeutics. Pharmacology, RM1-950

وصف الملف: electronic resource

Relation: https://doaj.org/toc/1475-6366; https://doaj.org/toc/1475-6374

URL الوصول: https://doaj.org/article/ce8cbb620b7c4ea4995687ba3b35df5e

المؤلفون: Luis R. Domingo, Mar Ríos-Gutiérrez, Patricia Pérez

المصدر: Chemistry, Vol 4, Iss 3, Pp 735-752 (2022)

مصطلحات موضوعية: higher-order cycloaddition reactions, molecular electron density theory, molecular mechanism, tropone, selectivity, Chemistry, QD1-999

وصف الملف: electronic resource

Relation: https://www.mdpi.com/2624-8549/4/3/52; https://doaj.org/toc/2624-8549

URL الوصول: https://doaj.org/article/1895b6e5c04242d094554ebab9c5d45b

المؤلفون: Mar Ríos-Gutiérrez, Assem Barakat, Luis R. Domingo

المصدر: Organics, Vol 3, Iss 2, Pp 122-136 (2022)

مصطلحات موضوعية: Molecular Electron Density Theory, azomethine ylides, [3+2] cycloaddition reaction, molecular mechanism, selectivity, reactivity, Organic chemistry, QD241-441

وصف الملف: electronic resource

Relation: https://www.mdpi.com/2673-401X/3/2/10; https://doaj.org/toc/2673-401X

URL الوصول: https://doaj.org/article/6380159349a74fed88dc4513094bef50

المؤلفون: Ewa Dresler, Przemysław Woliński, Aneta Wróblewska, Radomir Jasiński

المصدر: Molecules, Vol 28, Iss 24, p 8152 (2023)

مصطلحات موضوعية: [3+2] cycloaddition, azides, acetylenes, mechanism, Molecular Electron Density Theory, Organic chemistry, QD241-441

وصف الملف: electronic resource

Relation: https://www.mdpi.com/1420-3049/28/24/8152; https://doaj.org/toc/1420-3049

URL الوصول: https://doaj.org/article/a6596f88cb5641d0ac8dd976c4266d2c

المؤلفون: Agnieszka Fryźlewicz, Aleksandra Olszewska, Karolina Zawadzińska, Przemysław Woliński, Karolina Kula, Agnieszka Kącka-Zych, Agnieszka Łapczuk-Krygier, Radomir Jasiński

المصدر: Organics, Vol 3, Iss 1, Pp 59-76 (2022)

مصطلحات موضوعية: [3+2] cycloaddition, nitrilimine, nitroalkene, Δ2-pyrazoline, molecular electron density theory (MEDT), Organic chemistry, QD241-441

وصف الملف: electronic resource

Relation: https://www.mdpi.com/2673-401X/3/1/4; https://doaj.org/toc/2673-401X

URL الوصول: https://doaj.org/article/906316ae24e64bcfb475ad4177bb0eb8

المؤلفون: Assem Barakat, Saeed Alshahrani, Abdullah Mohammed Al-Majid, Abdullah Saleh Alamary, Matti Haukka, Marwa M. Abu-Serie, Luis R. Domingo, Sajda Ashraf, Zaheer Ul-Haq, Mohamed S. Nafie, Mohamed Teleb

مصطلحات موضوعية: Biophysics, Biochemistry, Medicine, Pharmacology, Biotechnology, Cancer, Infectious Diseases, Virology, Biological Sciences not elsewhere classified, Chemical Sciences not elsewhere classified, Information Systems not elsewhere classified, Spiro-indeno[12-b]quinoxalines, Molecular Electron Density Theory, Lung Cancer, CDK2, Molecular dynamics

Relation: https://figshare.com/articles/journal_contribution/New_spiro-indeno_1_2-_i_b_i_quinoxalines_clubbed_with_benzimidazole_scaffold_as_CDK2_inhibitors_for_halting_non-small_cell_lung_cancer_stereoselective_synthesis_molecular_dynamics_and_structural_insights/24628321

الاتاحة: https://doi.org/10.6084/m9.figshare.24628321.v1
https://figshare.com/articles/journal_contribution/New_spiro-indeno_1_2-_i_b_i_quinoxalines_clubbed_with_benzimidazole_scaffold_as_CDK2_inhibitors_for_halting_non-small_cell_lung_cancer_stereoselective_synthesis_molecular_dynamics_and_structural_insights/24628321

المؤلفون: Saeed Alshahrani, Abdullah Mohammed Al-Majid, Abdullah Saleh Alamary, Mar Ríos-Gutiérrez, Assem Barakat

المصدر: Crystals; Volume 13; Issue 7; Pages: 1085

مصطلحات موضوعية: [3+2] cycloaddition reaction, spirooxindole, MEDT (Molecular Electron Density Theory)

وصف الملف: application/pdf

Relation: Organic Crystalline Materials; https://dx.doi.org/10.3390/cryst13071085

الاتاحة: https://doi.org/10.3390/cryst13071085

المؤلفون: Ewa Dresler, Aneta Wróblewska, Radomir Jasiński

المصدر: Molecules; Volume 28; Issue 14; Pages: 5289

مصطلحات موضوعية: Diels–Alder reaction, nitroalkene, molecular mechanism, molecular electron density theory, DFT calculations

جغرافية الموضوع: agris

وصف الملف: application/pdf

Relation: Computational and Theoretical Chemistry; https://dx.doi.org/10.3390/molecules28145289

الاتاحة: https://doi.org/10.3390/molecules28145289

المؤلفون: Przemysław Woliński, Agnieszka Kącka-Zych, Aneta Wróblewska, Ewelina Wielgus, Rafał Dolot, Radomir Jasiński

المصدر: Molecules; Volume 28; Issue 12; Pages: 4586

مصطلحات موضوعية: Hetero Diels-Alder reaction, nitroalkenes, heterocycles, molecular electron density theory, conceptual density functional theory

جغرافية الموضوع: agris

وصف الملف: application/pdf

Relation: Organic Chemistry; https://dx.doi.org/10.3390/molecules28124586

الاتاحة: https://doi.org/10.3390/molecules28124586

المؤلفون: Jowita Kras, Przemysław Woliński, Roman Nagatsky, Oleg M. Demchuk, Radomir Jasiński

المصدر: Molecules; Volume 28; Issue 8; Pages: 3535

مصطلحات موضوعية: [3 + 2] cycloaddition, nitrones, nitroalkenes, nicotinoids, molecular electron density theory

جغرافية الموضوع: agris

وصف الملف: application/pdf

Relation: Medicinal Chemistry; https://dx.doi.org/10.3390/molecules28083535

الاتاحة: https://doi.org/10.3390/molecules28083535

المؤلفون: Barakat, Assem, Alshahrani, Saeed, Al-Majid, Abdullah Mohammed, Alamary, Abdullah Saleh, Haukka, Matti, Abu-Serie Marwa, M., Domingo, Luis R., Ashraf, Sajda, Ul-Haq, Zaheer, Nafie, Mohamed S., Teleb, Mohamed

مصطلحات موضوعية: spiro-indeno[12-b]quinoxalines, molecular electron density theory, lung cancer, CDK2, molecular dynamics, inhibiittorit, kasvaimet, keuhkosyöpä, molekyylidynamiikka

وصف الملف: application/pdf; fulltext

Relation: Journal of Enzyme Inhibition and Medicinal Chemistry; 38; CONVID_194771001

الاتاحة: http://urn.fi/URN:NBN:fi:jyu-202312128264

المؤلفون: Saeed Alshahrani, Abdullah Mohammed Al-Majid, Abdullah Saleh Alamary, Mohamed Ali, Mezna Saleh Altowyan, Mar Ríos-Gutiérrez, Sammer Yousuf, Assem Barakat

المصدر: Molecules, Vol 28, Iss 6976, p 6976 (2023)

مصطلحات موضوعية: spirooxindoles, benzimidazole, triazoles, molecular electron density theory (MEDT), Organic chemistry, QD241-441

Relation: https://www.mdpi.com/1420-3049/28/19/6976; https://doaj.org/toc/1420-3049; https://doaj.org/article/b2fa485cb2344e74b1ac941ebcbb452d

الاتاحة: https://doi.org/10.3390/molecules28196976
https://doaj.org/article/b2fa485cb2344e74b1ac941ebcbb452d