受强制性开放获取政策约束的文章 - Sheena Mary Y了解详情
无法在其他位置公开访问的文章：16 篇
FT-IR, NBO, HOMO–LUMO, MEP analysis and molecular docking study of 1-[3-(4-Fluorophenyl)-5-phenyl-4, 5-dihydro-1H-pyrazol-1-yl] ethanone
YS Mary, CY Panicker, M Sapnakumari, B Narayana, BK Sarojini, ...
Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy 136, 483-493, 2015
强制性开放获取政策： Department of Science & Technology, India
Molecular structure, FT-IR, vibrational assignments, HOMO–LUMO analysis and molecular docking study of 1-[5-(4-Bromophenyl)-3-(4-fluorophenyl)-4, 5-dihydro-1H-pyrazol-1-yl …
YS Mary, CY Panicker, M Sapnakumari, B Narayana, BK Sarojini, ...
Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy 136, 473-482, 2015
强制性开放获取政策： Department of Science & Technology, India
Molecular dynamic simulations, ALIE surface, Fukui functions geometrical, molecular docking and vibrational spectra studies of tetra chloro p and m-xylene
G Venkatesh, C Kamal, P Vennila, M Govindaraju, YS Mary, S Armakovic, ...
Journal of Molecular Structure 1171, 253-267, 2018
强制性开放获取政策： Ministry of Education, Science and Technological Development of the Republic …
Theoretical studies on the structure and various physico-chemical and biological properties of a terphenyl derivative with immense anti-protozoan activity
YS Mary, YS Mary, R Thomas, B Narayana, S Samshuddin, BK Sarojini, ...
Polycyclic Aromatic Compounds 41 (4), 825-840, 2021
强制性开放获取政策： Ministry of Education, Science and Technological Development of the Republic …
Concentration and solvent dependent SERS, DFT, MD simulations and molecular docking studies of a thioxothiazolidine derivative with antimicrobial properties
YS Mary, YS Mary, S Armaković, SJ Armaković, M Krátký, J Vinsova, ...
Journal of Molecular Liquids 329, 115582, 2021
强制性开放获取政策： Ministry of Education, Science and Technological Development of the Republic …
Stability and reactivity study of bio-molecules brucine and colchicine towards electrophile and nucleophile attacks: Insight from DFT and MD simulations
YS Mary, YS Mary, S Armaković, SJ Armaković, R Yadav, I Celik, P Mane, ...
Journal of Molecular Liquids 335, 116192, 2021
强制性开放获取政策： Ministry of Education, Science and Technological Development of the Republic …
IR, Raman, SERS and computational study of 2-(benzylsulfanyl)-3, 5-dinitrobenzoic acid
A Raj, YS Mary, CY Panicker, HT Varghese, K Raju
Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy 113, 28-36, 2013
强制性开放获取政策： Department of Science & Technology, India
Infrared spectrum, structural and optical properties and molecular docking study of 3-(4-fluorophenyl)-5-phenyl-4, 5-dihydro-1H-pyrazole-1-carbaldehyde
YS Mary, CY Panicker, M Sapnakumari, B Narayana, BK Sarojini, ...
Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy 138, 529-538, 2015
强制性开放获取政策： Department of Science & Technology, India
Spectroscopic investigation (FT-IR, FT-Raman and SERS), vibrational assignments, HOMO–LUMO analysis and molecular docking study of Opipramol
YS Mary, CY Panicker, CN Kavitha, HS Yathirajan, MS Siddegowda, ...
Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy 137, 547-559, 2015
强制性开放获取政策： Department of Science & Technology, India
Optoelectronic properties of the newly designed 1, 3, 5-triazine derivatives with isatin, chalcone and acridone moieties
SJ Armaković, YS Mary, YS Mary, S Pelemiš, S Armaković
Computational and Theoretical Chemistry 1197, 113160, 2021
强制性开放获取政策： Ministry of Education, Science and Technological Development of the Republic …
Synthesis, conformational, characterization and reactivity study of 1, 7-bis (4-bromophenyl) heptane-1, 7-dione
PK Murthy, V Suneetha, M Smitha, YS Mary, S Armaković, SJ Armaković, ...
Journal of Molecular Structure 1175, 269-279, 2019
强制性开放获取政策： Ministry of Education, Science and Technological Development of the Republic …
Molecular conformational analysis, vibrational spectra, NBO, NLO analysis and molecular docking study of bis [(E)-anthranyl-9-acrylic] anhydride based on density functional …
YS Mary, CY Panicker, T Thiemann, M Al-Azani, AA Al-Saadi, ...
Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy 151, 350-359, 2015
强制性开放获取政策： Department of Science & Technology, India
Molecular structure, FT-IR, vibrational assignments, HOMO–LUMO, MEP, NBO analysis and molecular docking study of ethyl-6-(4-chlorophenyl)-4-(4-fluorophenyl)-2-oxocyclohex-3-ene …
YS Mary, CY Panicker, M Sapnakumari, B Narayana, BK Sarojini, ...
Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy 138, 73-84, 2015
强制性开放获取政策： Department of Science & Technology, India
Vibrational spectroscopic studies and molecular docking of 10, 10-Dimethylanthrone
YS Mary, TS Yamuna, CY Panicker, HS Yathirajan, MS Siddegowda, ...
Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy 135, 652-661, 2015
强制性开放获取政策： Department of Science & Technology, India
Investigation of reactive properties of an antiviral azatricyclo derivative–KDFT, MD and docking simulations
YS Mary, YS Mary, S Armaković, SJ Armaković, M Pakosinska-Parys, ...
Journal of Molecular Structure 1230, 129937, 2021
强制性开放获取政策： Ministry of Education, Science and Technological Development of the Republic …
A comparative study of structural and spectroscopic properties of three structurally similar mechanically bending organic single crystals–2-Amino-3-nitro-5-halo (halo= Cl, Br …
KM Potla, SP Adimule, N Poojith, FAP Osório, C Valverde, YS Mary, ...
Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy 302, 123093, 2023
强制性开放获取政策： Department of Science & Technology, India
可在其他位置公开访问的文章：14 篇
Quinoline derivatives as possible lead compounds for anti-malarial drugs: Spectroscopic, DFT and MD study
B Sureshkumar, YS Mary, CY Panicker, S Suma, S Armaković, ...
Arabian Journal of Chemistry 13 (1), 632-648, 2020
强制性开放获取政策： Ministry of Education, Science and Technological Development of the Republic …
Exploring the detailed spectroscopic characteristics, chemical and biological activity of two cyanopyrazine-2-carboxamide derivatives using experimental and theoretical tools
S Beegum, YS Mary, YS Mary, R Thomas, S Armaković, SJ Armaković, ...
Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy 224, 117414, 2020
强制性开放获取政策： Ministry of Education, Science and Technological Development of the Republic …
Synthesis and spectroscopic study of two new pyrazole derivatives with detailed computational evaluation of their reactivity and pharmaceutical potential
R Thomas, YS Mary, KS Resmi, B Narayana, SBK Sarojini, S Armaković, ...
Journal of Molecular Structure 1181, 599-612, 2019
强制性开放获取政策： Ministry of Education, Science and Technological Development of the Republic …
Synthesis, characterization and computational studies of semicarbazide derivative
M Muthukkumar, T Bhuvaneswari, G Venkatesh, C Kamal, P Vennila, ...
Journal of Molecular Liquids 272, 481-495, 2018
强制性开放获取政策： Ministry of Education, Science and Technological Development of the Republic …
出版信息和资助信息由计算机程序自动确定