المؤلفون: Panagiotis S. Gritzapis, Panayiotis C. Varras, Nikolaos-Panagiotis Andreou, Katerina R. Katsani, Konstantinos Dafnopoulos, George Psomas, Zisis V. Peitsinis, Alexandros E. Koumbis, Konstantina C. Fylaktakidou

المصدر: Beilstein Journal of Organic Chemistry, Vol 16, Iss 1, Pp 337-350 (2020)

مصطلحات موضوعية: dna binding, dna photocleavage, n–o homolysis, oxime carbamates, photocleavage agents, Science, Organic chemistry, QD241-441

وصف الملف: electronic resource

Relation: https://doaj.org/toc/1860-5397

URL الوصول: https://doaj.org/article/a8d3b1eb0f704eeda37ccb1c74645332

المؤلفون: Raheel Ahmed, Panayiotis C. Varras, Michael G. Siskos, Hina Siddiqui, M. Iqbal Choudhary, Ioannis P. Gerothanassis

المصدر: Molecules, Vol 25, Iss 21, p 4902 (2020)

مصطلحات موضوعية: polyunsaturated fatty acids, hydroperoxides, endo-hydroperoxides, NMR, chemical shifts, hydrogen bonding, Organic chemistry, QD241-441

وصف الملف: electronic resource

Relation: https://www.mdpi.com/1420-3049/25/21/4902; https://doaj.org/toc/1420-3049

URL الوصول: https://doaj.org/article/86f5393db0a54eecafbbdf9c649d4f42

المؤلفون: Themistoklis Venianakis, Christina Oikonomaki, Michael G. Siskos, Panayiotis C. Varras, Alexandra Primikyri, Eleni Alexandri, Ioannis P. Gerothanassis

المصدر: Molecules, Vol 25, Iss 16, p 3660 (2020)

مصطلحات موضوعية: CLA, chemical shifts, DFT, GIAO, NMR, Organic chemistry, QD241-441

وصف الملف: electronic resource

Relation: https://www.mdpi.com/1420-3049/25/16/3660; https://doaj.org/toc/1420-3049

URL الوصول: https://doaj.org/article/0e9bf78ae3b547ef9011fb065d16615e

المؤلفون: Saima H. Mari, Panayiotis C. Varras, Atia-tul-Wahab, Iqbal M. Choudhary, Michael G. Siskos, Ioannis P. Gerothanassis

المصدر: Molecules, Vol 24, Iss 12, p 2290 (2019)

مصطلحات موضوعية: chemical shifts, hydrogen bonding, DFT, natural products, NMR, X-ray diffraction, Organic chemistry, QD241-441

وصف الملف: electronic resource

Relation: https://www.mdpi.com/1420-3049/24/12/2290; https://doaj.org/toc/1420-3049

URL الوصول: https://doaj.org/article/a3a687d36a684923a47066ea2cc68f00

المؤلفون: Sana Fatima, Ioannis P. Gerothanassis, Michael G. Siskos, Atia-tul-Wahab, Panayiotis C. Varras, M. Iqbal Choudhary

المصدر: Physical Chemistry Chemical Physics. 23:15645-15658

مصطلحات موضوعية: 010405 organic chemistry, Hydrogen bond, Chemistry, Chemical shift, Solvation, General Physics and Astronomy, 010402 general chemistry, Mole fraction, 01 natural sciences, 0104 chemical sciences, chemistry.chemical_compound, Proton NMR, Physical chemistry, Molecule, Phenol, Physical and Theoretical Chemistry, Conformational isomerism

URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_________::2ba7b597a982916388af48f64df2caf4
https://doi.org/10.1039/d0cp05861k

المؤلفون: Panagiotis S. Gritzapis, Michael G. Siskos, Panayiotis C. Varras

المصدر: ChemistrySelect. 5:2810-2815

مصطلحات موضوعية: Physics, chemistry.chemical_compound, Active space, chemistry, Field (physics), Ab initio quantum chemistry methods, Excited state, Potential energy surface, Multiple minima, General Chemistry, Self consistent, Benzene, Molecular physics

URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_________::77af89330228a3152c4a2bc4bf565d86
https://doi.org/10.1002/slct.201904429

المؤلفون: Panayiotis C. Varras, Konstantina C. Fylaktakidou, Konstantinos Dafnopoulos, Nikolaos-Panagiotis Andreou, George Psomas, Panagiotis S. Gritzapis, Zisis V. Peitsinis, Alexandros E. Koumbis, Katerina R. Katsani

المصدر: Beilstein Journal of Organic Chemistry, Vol 16, Iss 1, Pp 337-350 (2020)
Beilstein Journal of Organic Chemistry

مصطلحات موضوعية: Carbamate, n–o homolysis, oxime carbamates, DNA damage, medicine.medical_treatment, Radical, dna photocleavage, Imine, Substituent, 010402 general chemistry, 01 natural sciences, Full Research Paper, lcsh:QD241-441, chemistry.chemical_compound, lcsh:Organic chemistry, medicine, lcsh:Science, 010405 organic chemistry, Organic Chemistry, dna binding, Oxime, Combinatorial chemistry, 0104 chemical sciences, Chemistry, Intersystem crossing, chemistry, lcsh:Q, photocleavage agents, DNA

URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::ee0f43fb7ab9b295e7da626de724f5db
https://doaj.org/article/a8d3b1eb0f704eeda37ccb1c74645332

المؤلفون: Panayiotis C. Varras, Panagiotis S. Gritzapis

المصدر: Chemical Physics. 566:111800

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

URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_________::7bfe0e2b6676131d4f792eb7ebf48cb4
https://doi.org/10.1016/j.chemphys.2022.111800

المؤلفون: Michael G. Siskos, Panayiotis C. Varras, M. Iqbal Choudhary, Atia-tul-Wahab, Aneela Fayaz, Gerothanassis P. Ioannis

المصدر: Physical Chemistry Chemical Physics. 22:17401-17411

مصطلحات موضوعية: 010405 organic chemistry, Chemistry, Enthalpy, General Physics and Astronomy, Activation energy, 010402 general chemistry, 01 natural sciences, Tautomer, 0104 chemical sciences, Catalysis, Deprotonation, Catalytic cycle, Computational chemistry, Proton NMR, Molecule, Physical and Theoretical Chemistry

URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::39e6535497cd5dc263dda1da6e67b091
https://doi.org/10.1039/d0cp02826f

المؤلفون: Nida Tabassum, Muhammad Iqbal Choudhary, Panayiotis C. Varras, Fiza Arshad, Sammer Yousuf

المصدر: CrystEngComm. 22:3439-3450

مصطلحات موضوعية: Trifluoromethyl, Urease, biology, Acetohydroxamic acid, Biological activity, General Chemistry, Syringic acid, Condensed Matter Physics, chemistry.chemical_compound, chemistry, medicine, biology.protein, Phenol, General Materials Science, IC50, Nuclear chemistry, medicine.drug, Antibacterial agent

URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_________::64b6cdacda5d7c1c92840878277d4f17
https://doi.org/10.1039/d0ce00226g

المؤلفون: Michael G. Siskos, Hina Siddiqui, Panayiotis C. Varras, M. Iqbal Choudhary, Ioannis P. Gerothanassis, Raheel Ahmed

المصدر: Molecules, Vol 25, Iss 4902, p 4902 (2020)
Molecules
Volume 25
Issue 21

مصطلحات موضوعية: ONIOM, Pharmaceutical Science, 010402 general chemistry, DFT, 01 natural sciences, 1H-13C HMBC, Analytical Chemistry, lcsh:QD241-441, lcsh:Organic chemistry, Computational chemistry, Drug Discovery, endo-hydroperoxides, Molecular orbital, hydroperoxides, Physical and Theoretical Chemistry, chemical shifts, 010405 organic chemistry, Chemistry, Hydrogen bond, Chemical shift, Organic Chemistry, Diastereomer, hydrogen bonding, NMR, 0104 chemical sciences, Heteronuclear molecule, Chemistry (miscellaneous), Intramolecular force, 1D TOCSY, Molecular Medicine, Density functional theory, polyunsaturated fatty acids

وصف الملف: application/pdf

URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::12628f9c90caa52e554faa8137bfc740
https://www.mdpi.com/1420-3049/25/21/4902

المؤلفون: Panagiotis S. Gritzapis, Panayiotis C. Varras

المصدر: Chemical Physics Letters. 711:166-172

مصطلحات موضوعية: Physics, 010304 chemical physics, Field (physics), Electronic correlation, General Physics and Astronomy, Zero-point energy, 010402 general chemistry, 01 natural sciences, Molecular physics, Symmetry (physics), 0104 chemical sciences, chemistry.chemical_compound, Reaction rate constant, chemistry, 0103 physical sciences, Isosceles triangle, Cyclobutadiene, Physical and Theoretical Chemistry, Quantum tunnelling

URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_________::4b0bc10a6564104cb88c4a4cf6f91a2b
https://doi.org/10.1016/j.cplett.2018.09.028

المؤلفون: Konstantina C. Fylaktakidou, Panagiotis S. Gritzapis, Panayiotis C. Varras

المصدر: Molecular Physics. 116:154-170

مصطلحات موضوعية: 010304 chemical physics, Field (physics), Chemistry, Biophysics, 010402 general chemistry, Condensed Matter Physics, 01 natural sciences, Fluorescence, 0104 chemical sciences, chemistry.chemical_compound, 0103 physical sciences, Pyridine, Physics::Atomic Physics, Complete active space, Physics::Chemical Physics, Physical and Theoretical Chemistry, Atomic physics, Perturbation theory, Phosphorescence, Molecular Biology

URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_________::2900a6f351c3a2aa37e3af2fee50193c
https://doi.org/10.1080/00268976.2017.1371800

المؤلفون: Michael G. Siskos, Panayiotis C. Varras, Panagiotis S. Gritzapis

مصطلحات موضوعية: Materials science, 010304 chemical physics, Biophysics, Structure (category theory), Thermodynamics, 010402 general chemistry, Condensed Matter Physics, 01 natural sciences, 0104 chemical sciences, Condensed Matter::Materials Science, 0103 physical sciences, Physics::Atomic and Molecular Clusters, Physics::Chemical Physics, Physical and Theoretical Chemistry, Vinyl cation, Molecular Biology, Quantum

URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::9277e12d54a2bcc476fd80a9cee70872

المؤلفون: Iqbal M. Choudhary, Michael G. Siskos, Panayiotis C. Varras, Atia-tul-Wahab, Ioannis P. Gerothanassis, Saima H. Mari

المصدر: Molecules, Vol 24, Iss 12, p 2290 (2019)
Molecules
Volume 24
Issue 12

مصطلحات موضوعية: Hydrogen, natural products, Pharmaceutical Science, chemistry.chemical_element, Polarizable continuum model, DFT, Analytical Chemistry, lcsh:QD241-441, lcsh:Organic chemistry, Drug Discovery, Physical and Theoretical Chemistry, chemical shifts, Hydrogen bond, Chemistry, Chemical shift, Organic Chemistry, Solvation, hydrogen bonding, NMR, X-ray diffraction, Bond length, Chemistry (miscellaneous), Intramolecular force, Proton NMR, Molecular Medicine, Physical chemistry

وصف الملف: application/pdf

URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::29f4c76a757976724eefa6058bd83330
https://www.mdpi.com/1420-3049/24/12/2290

المؤلفون: Panayiotis C. Varras, Panagiotis S. Gritzapis

مصطلحات موضوعية: Work (thermodynamics), Materials science, 010304 chemical physics, Biophysics, 010402 general chemistry, Condensed Matter Physics, 01 natural sciences, 0104 chemical sciences, chemistry.chemical_compound, chemistry, 0103 physical sciences, Pyridine, Physical chemistry, Complete active space, Physical and Theoretical Chemistry, Molecular Biology

URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::a315c0fd1d81431b116c5ff6e525293f

المؤلفون: Panayiotis C. Varras, Michael G. Siskos, Ioannis P. Gerothanassis

المصدر: Tetrahedron. 76:130979

مصطلحات موضوعية: 010405 organic chemistry, Hydrogen bond, Chemistry, Chemical shift, Organic Chemistry, 010402 general chemistry, 01 natural sciences, Biochemistry, Tautomer, Enol, 0104 chemical sciences, Ring strain, chemistry.chemical_compound, Computational chemistry, Intramolecular force, Drug Discovery, Proton NMR, Equilibrium constant

URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_________::04b47f9dc49f76295909712bf46363e7
https://doi.org/10.1016/j.tet.2020.130979

المؤلفون: Antonios K. Zarkadis, Panayiotis C. Varras

المصدر: The journal of physical chemistry. A. 116(5)

مصطلحات موضوعية: Quantum chemical, Reaction rate constant, Field (physics), Computational chemistry, Chemistry, Excited state, Photodissociation, Activation energy, Physical and Theoretical Chemistry, Molecular physics, Bond-dissociation energy, Homolysis

URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::b09a877c7d99252bd4adaeb40071177c
https://pubmed.ncbi.nlm.nih.gov/22208892