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Преглед према Аутор Mary, Y. Sheena
Приказ резултата 1 до 20 од 25
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| Година | Наслов | Аутор(и) | Тип резултата | Мп-кат. |
|---|---|---|---|---|
| 2017 | A complete computational and spectroscopic study of 2-bromo-1, 4-dichlorobenzene – A frequently used benzene derivative | Vennila, P.; Govindaraju, M.; Venkatesh, G.; Kamal, C.; Mary, Y. Sheena; Panicker, C. Yohannan; Kaya, S.; Armaković, Stevan   ; Armaković, Sanja | Научни чланак | 22M22 - Рад у истакнутом међ. часопису |
| 2020 | Experimental and computational analysis of 1-(4-chloro-3-nitrophenyl)-3-(3,4-dichlorophenyl)thiourea | Bielenica, Anna; Beegum, Shargina; Mary, Y. Sheena; Mary, Y. Shyma; Thomas, Renjith; Armaković, Stevan ; Armaković, Sanja ; Madeddu, Silvia; Struga, Marta; Van, Alsenoy C. | Научни чланак | 22M22 - Рад у истакнутом међ. часопису |
| 2020 | Exploring the detailed spectroscopic characteristics, chemical and biological activity of two cyanopyrazine-2-carboxamide derivatives using experimental and theoretical tools | Beegum, Shargina; Mary, Y. Sheena; Mary, Y. Shyma; Thomas, Renjith; Armaković, Stevan ; Armaković, Sanja ; Zitko, Jan; Dolezal, Martin; Van, Alsenoy C. | Научни чланак | 21M21 - Рад у врхунском међ. часопису |
| 2019 | Hybrid and bioactive cocrystals of pyrazinamide with hydroxybenzoic acids: Detailed study of structure, spectroscopic characteristics, other potential applications and noncovalent interactions using SAPT | Al-Otaibi, Jamelah S.; Mary, Y. Sheena; Armaković, Stevan ; Thomas, Renjith | Научни чланак | 22M22 - Рад у истакнутом међ. часопису |
| 2017 | Insight into the reactive properties of newly synthesized 1,2,4-triazole derivative by combined experimental (FT-IR and FR-Raman) and theoretical (DFT and MD) study | Mary, Y. Sheena; Al-Omary, Fatmah A.M.; Mostafa, Gamal A.E.; El-Emam, Ali A.; Manjula, P.S.; Sarojini, B.K.; Narayana, B.; Armaković, Stevan ; Armaković, Sanja ; Van, Alsenoy C. | Научни чланак | 22M22 - Рад у истакнутом међ. часопису |
| 2017 | Investigation of reactive and spectroscopic properties of oxobutanoic acid derivative: combined spectroscopic, DFT, MD and docking study | Mary, Y. Sheena; Mary, Y. Shyma; Panicker, C. Yohannan; Armaković, Stevan ; Armaković, Sanja ; Narayana, B.; Sarojini, B.K.; Van, Alsenoy C. | Научни чланак | 22M22 - Рад у истакнутом међ. часопису |
| 2017 | Investigation of spectroscopic, reactive, transport and docking properties of 1-(3,4-dichlorophenyl)-3-[3-(trifluoromethyl)phenyl]thiourea (anf-6): combined experimental and computational study | Aswathy, V.V.; Mary, Y. Sheena; Jojo, P.J.; Panicker, C. Yohannan; Bielenica, Anna; Armaković, Stevan ; Armaković, Sanja ; Brzózka, Paulina; Krukowski, Sylwester; Van, Alsenoy C. | Научни чланак | 22M22 - Рад у истакнутом међ. часопису |
| 2017 | Modification of benzoxazole derivative by bromine-spectroscopic, antibacterial and reactivity study using experimental and theoretical procedures | Aswathy, V.V.; Alper-Hayta, Sabiha; Yalcin, Gözde; Mary, Y. Sheena; Panicker, C. Yohannan; Jojo, P.J.; Kaynak-Onurdag, Fatma; Armaković, Stevan ; Armaković, Sanja ; Yildiz, Ilkay;
Van, Alsenoy C.;
| Научни чланак | 22M22 - Рад у истакнутом међ. часопису |
| 2017 | Molecular conformational analysis, reactivity, vibrational spectral analysis and molecular dynamics and docking studies of 6-chloro-5- isopropylpyrimidine-2,4(1H,3H)-dione, a potential precursor to bioactive agent | Al-Omary, Fatmah A.M.; Mary, Y. Sheena; Beegum, Shargina; Panicker, C. Yohannan; Al-Shehri, Mona M.; El-Emam, Ali A.; Armaković, Stevan ; Armaković, Sanja ; Van, Alsenoy C. | Научни чланак | 22M22 - Рад у истакнутом међ. часопису |
| 2018 | Molecular dynamic simulations, ALIE surface, Fukui functions geometrical, molecular docking and vibrational spectra studies of tetra chloro p and m-xylene | Venkatesh, G.; Kamal, C.; Vennila, P.; Govindaraju, M.; Mary, Y. Sheena; Armaković, Stevan ; Armaković, Sanja ; Kaya, S.; Panicker, C. Yohannan | Научни чланак | 22M22 - Рад у истакнутом међ. часопису |
| 2017 | New quinolone derivative: Spectroscopic characterization and reactivity study by DFT and MD approaches | Ranjith, P.K.; Mary, Y. Sheena; Panicker, C. Yohannan; Anto, P.L.; Armaković, Stevan ; Armaković, Sanja ; Musiol, Robert; Jampilek, Josef; Van, Alsenoy C. | Научни чланак | 22M22 - Рад у истакнутом међ. часопису |
| 2017 | Newly synthesized dihydroquinazoline derivative from the aspect ofcombined spectroscopic and computational study | El-Azab, Adel S.; Mary, Y. Sheena; Mary, Y. Shyma; Panicker, C. Yohannan; Abdel-Aziz, Alaa A.-M.; El-Sherbeny, Magda A.; Armaković, Stevan ; Armaković, Sanja ; Van, Alsenoy Christian | Научни чланак | 22M22 - Рад у истакнутом међ. часопису |
| 2019 | Spectral characterization, thermochemical studies, periodic SAPT calculations and detailed quantum mechanical profiling various physico-chemical properties of 3,4-dichlorodiuron | Haruna, K.; Kumar, Veena S.; Armaković, Sanja ; Armaković, Stevan ; Mary, Y. Sheena; Thomas, Renjith; Popoola, Saheed A.; Almohammedi, A.R.; Roxy, M.S.; Al-Saadi, A.A. | Научни чланак | 21M21 - Рад у врхунском међ. часопису |
| 2018 | Spectroscopic analysis and molecular docking of imidazole derivatives and investigation of its reactive properties by dft and molecular dynamics simulations | Thomas, Renjith; Hossain, Mossaraf; Mary, Y. Sheena; Resmi, K.S.; Armaković, Stevan ; Armaković, Sanja ; Nanda, Ashis Kumar; Ranjan, Vivek Kumar; Vijayakumar, G.; Van, Alsenoy C. | Научни чланак | 22M22 - Рад у истакнутом међ. часопису |
| 2017 | Spectroscopic and reactive properties of a newly synthesized quinazoline derivative: combined experimental, DFT, molecular dynamics and docking study | El-Azab, Adel S.; Mary, Y. Shyma; Mary, Y. Sheena; Panicker, C. Yohannan; Abdel-Aziz, Alaa A.-M.; Mohamed, Menshawy A.; Armaković, Stevan ; Armaković, Sanja ; Van, Alsenoy Christian | Научни чланак | 22M22 - Рад у истакнутом међ. часопису |
| 2017 | Spectroscopic characterization of 1-[3-(1h-imidazol-1-yl)propyl]-3-phenylthiourea and assessment of reactive and optoelectronic properties employing DFT calculations and molecular dynamics simulations | War, Javeed Ahmad; Jalaja, K.; Mary, Y. Sheena; Panicker, C. Yohannan; Armaković, Stevan ; Armaković, Sanja ; Srivastava, Santosh Kumar; Van, Alsenoy C. | Научни чланак | 22M22 - Рад у истакнутом међ. часопису |
| 2017 | Spectroscopic, DFT, molecular dynamics and molecular docking study of 1-butyl-2-(4-hydroxyphenyl)-4,5-dimethyl-imidazole 3-oxide | Benzon, K.B.; Mary, Y. Sheena; Varghese, Hema Tresa; Panicker, C. Yohannan; Armaković, Stevan ; Armaković, Sanja ; Pradhan, Kiran; Nanda, Ashis Kumar; Van, Alsenoy C. | Научни чланак | 22M22 - Рад у истакнутом међ. часопису |
| 2018 | Synthesis and spectroscopic study of three new oxadiazole derivatives with detailed computational evaluation of their reactivity and pharmaceutical potential | Mary, Y. Sheena; Miniyar, Pankaj B.; Mary, Y. Shyma; Resmi, K.S.; Panicker, C. Yohannan; Armaković, Stevan ; Armaković, Sanja ; Thomas, Renjith; Sureshkumar, B. | Научни чланак | 22M22 - Рад у истакнутом међ. часопису |
| 2019 | Synthesis and spectroscopic study of two new pyrazole derivatives with detailed computational evaluation of their reactivity and pharmaceutical potential | Thomas, Renjith; Mary, Y. Sheena; Resmi, K.S.; Narayana, B.; Sarojini, S.B.K.; Armaković, Stevan ; Armaković, Sanja ; Vijayakumar, G.; Alsenoy, C. Van; Mohan, B.J. | Научни чланак | 22M22 - Рад у истакнутом међ. часопису |
| 2019 | Synthesis, conformational, characterization and reactivity study of 1,7-bis(4-bromophenyl)heptane-1,7-dione | Murthy, P. Krishna; Suneetha, V.; Smitha, M.; Mary, Y. Sheena; Armaković, Stevan ; Armaković, Sanja ; Rao, R. Sreenivasa; Suchetan, P.A.; Al-Saadi, Abdulaziz A.; Pavithran, Rani | Научни чланак | 22M22 - Рад у истакнутом међ. часопису |