Effect of nano-confinement on the structure and properties of water clusters: An ab initio study (English)
- New search for: Tripathy, Manoj K
- New search for: Mahawar, Devendra K
- New search for: Chandrakumar, K R S
- Further information on Chandrakumar, K R S:
- https://orcid.org/0000-0002-0121-3556
- New search for: Tripathy, Manoj K
- New search for: Mahawar, Devendra K
- New search for: Chandrakumar, K R S
- Further information on Chandrakumar, K R S:
- https://orcid.org/0000-0002-0121-3556
In:
Journal of Chemical Sciences
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132
, 1
;
2019
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ISSN:
- Article (Journal) / Electronic Resource
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Title:Effect of nano-confinement on the structure and properties of water clusters: An ab initio study
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Contributors:
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Published in:Journal of Chemical Sciences ; 132, 1
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Publisher:
- New search for: Springer India
- New search for: Indian Academy of Science
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Place of publication:Bangalore
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Publication date:2019
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ISSN:
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ZDBID:
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DOI:
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Type of media:Article (Journal)
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Type of material:Electronic Resource
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Language:English
- New search for: 35.00 / 35.00$jChemie: Allgemeines / 35.04$jAusbildung$jBeruf$jOrganisationen$XChemie / 35.04
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Classification:
BKL: 35.00 Chemie: Allgemeines / 35.00$jChemie: Allgemeines / 35.04$jAusbildung$jBeruf$jOrganisationen$XChemie / 35.04 Ausbildung, Beruf, Organisationen -
Source:
Table of contents – Volume 132, Issue 1
The tables of contents are generated automatically and are based on the data records of the individual contributions available in the index of the TIB portal. The display of the Tables of Contents may therefore be incomplete.
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Single site MIL-101 for novel low-temperature liquid-phase toluene methylationAbd El Salam, Howaida Mamdouh / Abd El-Hafiz, Dalia Radwan et al. | 2020
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Sulfated polyborate as an eco-compatible solid acid catalyst for efficient and facile solvent-free synthesis of polyhydroquinolinesAute, Dilip / Kshirsagar, Akshay / Uphade, Bhagwat / Gadhave, Anil et al. | 2020
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Preparation of chitosan/poly(methacrylic acid) supported palladium nanofibers as an efficient and stable catalyst for Heck reactionZhong, Shaofeng et al. | 2020
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One-pot synthesis of bimetal MOFs as highly efficient catalysts for selective oxidation of styreneHuang, Kai / Yu, Sibing / Li, Xiaoxin / Cai, Zhenyu et al. | 2020
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Structural investigation of barium zirconium titanate Ba($ Zr_{0.5} $$ Ti_{0.5} $)$ O_{3} $ particles synthesized by high energy ball milling processAktaş, Pelin Sözen et al. | 2020
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A reversible, benzothiazole-based “Turn-on” fluorescence sensor for selective detection of $ Zn^{2+} $ ions in vitroMusib, Dulal / Raza, Md Kausar / Devi, Salam Sujata / Roy, Mithun et al. | 2020
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Graphene oxide: an efficient carbocatalyst for the solvent-free synthesis of 2-(substituted benzoyl)-3-(substituted phenyl)imidazo[1,2-a]pyridinesKour, Dilpreet / Sasan, Sonakshi / Kapoor, Kamal K et al. | 2019
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The investigation of cooperative binding between p-sulfonatocalix[6]arene and fluorescein with transition metal ions by spectrometricallyGawhale, Sharadchandra / Rathod, Nilesh / Patil, Sanhita / Thorave, Rupali / Kalyani, Vrashali / Sapkal, Rajesh / Sapkal, Vilas / Chaudhari, Gajanan / Malkhede, Dipalee et al. | 2019
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Synthesis and characterization of (E)-2-(1-hydrazonoethyl)-4,5-dimethylphenol from 2-hydroxy-4,5-dimethylacetophenoneGagare, Dinkar / Patil, Raju / Lokhande, Rama / Dwivedi, Poonam / Deshmukh, Ajay et al. | 2020
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An equation of motion approach for the vibrational transition energies in the effective harmonic oscillator formalism: the Random phase approximationDinesh, T / Ravichandran, Lalitha / Prasad, M Durga et al. | 2019
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Experimental and theoretical insights on the adsorption and inhibition mechanism of (2E)-2-(acetylamino)-3-(4-nitrophenyl) prop-2-enoic acid and 4-nitrobenzaldehyde on mild steel corrosionArrousse, N / Salim, R / Houari, G Al / Hajjaji, F El / Zarrouk, A / Rais, Z / Taleb, M / Chauhan, Dheeraj Singh / Quraishi, M A et al. | 2020
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trans-4-[4-(Dimethylamino)styryl]-1-methylpyridinium iodide@cyclopentanocucurbit[6]uril as a fluorescent probe for anion recognitionCheng, Si Yuan / Yang, Xi Nan / Tao, Zhu / Wei, Lian Tong / Zhao, Wei Wei / Jiang, Dao Fa / Jin, Yan Mei / Gao, Jie / Ma, Pei Hua et al. | 2020
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First principles investigation on the applicability of ruthenium as a potential ORR catalystNandi, Surajit / Nair, Akhil S / Pathak, Biswarup et al. | 2019
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Effect of nano-confinement on the structure and properties of water clusters: An ab initio studyTripathy, Manoj K / Mahawar, Devendra K / Chandrakumar, K R S et al. | 2019
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Synthesis of metabolites of dapagliflozin: an SGLT2 inhibitorKARUMANCHI, KISHORE / NATARAJAN, SENTHIL KUMAR / CHAVAKULA, RAMADAS / KORUPOLU, RAGHU BABU / BONIGE, KISHORE BABU / PERURI, BADARINADH GUPTA et al. | 2020
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Correction to: Syntheses and structures of chalcogen-bridged binuclear group 5 and 6 metal complexesBhattacharyya, Moulika / Prakash, Rini / Nandi, Chandan / Chowdhury, Monojit Ghosal / Raghavendra, Beesam / Roisnel, Thierry / Ghosh, Sundargopal et al. | 2020
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Colorimetric sensing platform based on $ MnO_{2} $ nanosheets for the detection of reducing substances and alkaline phosphatase activity in whole Hela cellsZhao, Lingzhi et al. | 2020
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Multicomponent click reactions catalysed by copper(I) oxide nanoparticles ($ Cu_{2} $ONPs) derived using Oryza sativaRai, Randhir / Chand, Dillip Kumar et al. | 2020
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Ninhydrin reaction with phenylethylamine: unavoidable by-productsGonzalez-Oñate, Andrés / Quevedo, Rodolfo et al. | 2020
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One-pot three-component synthesis of 1,8-dioxooctahydroxanthenes and 14-Aryl-14Hdibenzo[a,j]xanthenes using a new nanostructure zeoliteHOJATI, SEYEDEH FATEMEH / MOOSAVIFAR, MARYAM / MOEINIEGHBALI, NASRIN et al. | 2020
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1, 4-Diazabicyclo[2.2.2]octane-sulfonic acid immobilized on magnetic $ Fe_{3} $$ O_{4} $@$ SiO_{2} $ nanoparticles: a novel and recyclable catalyst for the one-pot synthesis of 4-aryl-NH-1, 2, 3-triazolesJADIDI NEJAD, MASOUMEH / PAZOKI, FARZANE / BAGHERI, SEPIDEH / YAZDANI, ELAHE / HEYDARI, AKBAR et al. | 2020
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Design synthesis and anti-proliferative activity of some new coumarin substituted hydrazide–hydrazone derivativesDuangdee, Nongnaphat / Mahavorasirikul, Wiratchanee / Prateeptongkum, Saisuree et al. | 2020
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Catalyst-free green synthesis of dihydropyrano[2,3-c]pyrazole scaffolds assisted by ethylene glycol (E-G) as a reusable and biodegradable solvent mediumMohamadpour, Farzaneh et al. | 2020
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Synthesis of multilayer polymer-immobilised nanosilver for catalytic study in condensation reaction of aniline and acetylacetoneMaji, Nitai Chandra / Basu, Jayanta Kumar / Sengupta, Sonali et al. | 2020
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Catalytic assay of Schiff base Co(II), Ni(II), Cu(II) and Zn(II) complexes for N-alkylation of heterocycles with 1,3-dibromopropaneHegade, Sujit / Jadhav, Yuvraj / Chavan, Sanjay / Mulik, Ganpatrao / Gaikwad, Gautam et al. | 2020
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Deep eutectic solvent promoted one-pot synthesis of nitriles from alcoholsLiu, Luxiao / Zhang, Hong-Yu / Yin, Guohui / Zhang, Yuecheng / Zhao, Jiquan et al. | 2020
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Cavity ring-down spectroscopy and its applications to environmental, chemical and biomedical systemsMAITHANI, SANCHI / PRADHAN, MANIK et al. | 2020
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Development of a continuous process: a perspective for Mitsunobu reactionBASAVARAJU, GIRISH / RAJANNA, RAVISHANKAR et al. | 2020
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Synthesis of meso-substituted corroles and porphyrins using iodine as a catalystDandia, Anshu / Chauhan, Shive M S et al. | 2020
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Synthesis and characterization of tetrathiafulvalene-σ-thiophene dyadsDENG, SHI-XIONG / LI, YU-HAO / CAI, PENG-FEI / WANG, CHENG-YUN / WANG, HAN / SHEN, YONG-JIA et al. | 2020
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Highly efficient endo’- selective synthesis of (dispiro 3,2′-pyrrolidinyl) bisoxindoles containing three contiguous chiral stereocenters with two contiguous quaternary spirostereocentersYuvaraj, Panneerselvam / Singh, Huidrom Birkumar / Kandapalam, Arun Prasath Lingam / Kathirvelan, Devarajan / Nagarajan, Sankaranarayanan et al. | 2020
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Design, synthesis and biological evaluation of novel 1,2,3-triazole-based xanthine derivatives as DPP-4 inhibitorsNarsimha, Sirassu / Battula, Kumara Swamy / Ravinder, M / Reddy, Y N / Nagavelli, Vasudeva Reddy et al. | 2020
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Iodine-catalyzed regioselective C-3 arylation of indoles with p-quinolsDua, Neha / Peddinti, Rama Krishna et al. | 2020
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Removal of Cr and Mn from aqueous medium using bentonites and their derivativesMajumder, Sourav / Jha, Ashok Kumar et al. | 2020
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Preparation of $ Ni_{2} $P on twinned $ Zn_{0.5} $$ Cd_{0.5} $S nanocrystals for high-efficient photocatalytic hydrogen productionZhou, Xiaopeng / Yin, Linxin / Dai, Kaiqing / Gao, Xiangyang / Feng, Yanan / Zhao, Yafei / Zhang, Bing et al. | 2020
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Half-sandwich iron complexes bearing vinyl-selenocarboxylato ligandsAl-Jazzazi, Taghreed / El-khateeb, Mohammad / Quraan, Lama / Abul-Futouh, Hassan / Görls, Helmar / Weigand, Wolfgang et al. | 2020
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Studies towards synthesis and Lewis acid catalysed functionalization of 3-(4′-substitutedphenylthio)-azetidin-2-onesPandey, Suvidha / Thakur, Aarti / Bari, Shamsher S / Thapar, Renu et al. | 2020
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Water-soluble natural organic acid for highly efficient photoreduction of hexavalent chromiumHe, Hongbo / Luo, Zhuangzhu / Yu, Changlin et al. | 2020
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Dimeric complexes of copper (II) arylcarboxylate with 4-cyanopyridine: synthesis, structural characterization and linear absorption propertiesÖztürkkan Özbek, Füreya Elif et al. | 2020
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Study of photophysical behaviour of some Sm(III) complexes with 4-oxo-4H-1-benzopyran-3-carboxaldehyde and other N,N′-donor π-conjugated ligandsChauhan, Archana / Langyan, Ritu et al. | 2020
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Insight into 1:1 complexes of $ H_{2} $O with $ NF_{3} $ and $ CF_{2} $$ Cl_{2} $: a quantum chemical approachAbdi, Nazila / Seif, Abdolvahab / Azizi, Khaled / Goodarzi, Moein / Rashidi, Alimorad et al. | 2020
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Diphenyl phosphate creatine immobilized on magnetite nanoparticles: an efficient and recyclable catalyst for Aza-Michael reactionPazoki, Farzane / Mohammadpanah, Fahimeh / Salamat Manesh, Arefe / Azarnia Mehraban, Jamshid / Heydari, Akbar et al. | 2020
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Photoelectrochemical detection of chromium (VI) using layered $ MoS_{2} $ modified BiOIChen, Ru / Tang, Rongqing / Chen, Cheng et al. | 2020
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[Fesipmim]Cl as highly efficient and reusable catalyst for solventless synthesis of dihydropyridine derivatives through Hantzsch reactionAgrwal, Akansha / Kasana, Virendra et al. | 2020
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A robust Co(II)-MOF with nitrogen-rich micropores for $ CO_{2} $ transformation and protective effect on acute heart failure treatment by increasing the expression of Hif-1αSong, Weiwei / Song, Shasha / Feng, Xin / Yu, Qian / Dong, Xiaoming / Chen, Mei et al. | 2020
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Synthesis, biological evaluation and molecular docking of 3-substituted quinazoline-2,4(1H, 3H)-dionesSantos-Ballardo, Lumadhar / García-Páez, Fernando / Picos-Corrales, Lorenzo A / Ochoa-Terán, Adrián / Bastidas, Pedro / Calderón-Zamora, Loranda / Rendón-Maldonado, Guadalupe / Osuna-Martínez, Ulises / Sarmiento-Sánchez, Juan I et al. | 2020
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Conceptual approach to the synthesis of symmetrical 1,3-diynes from β-bromo vinyl carboxylic acidsSingha, Raju et al. | 2019
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Lowest order perturbative approximation to vibrational coupled cluster method in bosonic representationDinesh, T / Banik, Subrata et al. | 2019
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Iron(III) and cyano-bridged dinuclear copper(II) complexes: synthesis, structures and magnetic property of the copper(II) complexMahata, Goutam / Panja, Anangamohan et al. | 2020
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Substituent effects on the halogen and pnictogen bonds characteristics in ternary complexes 4-$ YPhNH_{2} $···$ PH_{2} $F···ClX (Y = H, F, CN, CHO, $ NH_{2} $, $ CH_{3} $, $ NO_{2} $ and $ OCH_{3} $, and X = F, OH, CN, NC, FCC and $ NO_{2} $): A theoretical studyTONDRO, TAHEREH / ROOHI, HOSSEIN et al. | 2019
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Luminescent metal–organic frameworks and their potential applicationsHaldar, Ritesh / Bhattacharyya, Sohini / Maji, Tapas Kumar et al. | 2020
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Supramolecular inorganic chemistry leading to functional materialsBASU, OLIVIA / DAS, SAMAR K et al. | 2020
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Profiling of LINS01 compounds at human dopamine $ D_{2} $ and $ D_{3} $ receptorsCorrêa, Michelle F / Reiner, David / Fernandes, Gustavo A B / Varela, Marina T / Aranha, Cecília M S Q / Stark, Holger / Fernandes, João Paulo S et al. | 2019
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Correction to: Efficient dye-sensitized solar cell based on a new porphyrin complex as an inorganic photosensitizerNasirian, Azam / Mirkhani, Valiollah / Moghadam, Majid / Tangestaninejad, Shahram / Mohammadpoor-Baltork, Iraj et al. | 2020
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Investigation on the structural, thermal and hydration properties of gold-fullerene nanocompositeJayabalaji, G / Ramya, L / Meena Devi, J et al. | 2020
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Coumarin-based Trisubstituted Methanes as Potent Anthelmintic: Synthesis, Molecular Docking and in vitro EfficacyBasumatary, Grace / Dhar, Errini Decruse / Das, Dharitri / Deka, Ramesh Ch. / Yadav, Arun K / Bez, Ghanashyam et al. | 2020
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An improved protocol for the synthesis of 3,4-disubstituted isoxazol-5(4H)-ones through L-valine-mediated domino three-component strategyKour, Parteek / Ahuja, Monika / Sharma, Pratibha / Kumar, Ashok / Kumar, Anil et al. | 2020
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A facile route to synthesize N-(Boc-Aminoethylglycin)thymine Ethyl Ester, application to the synthesis of PNA-oligonucleotide conjugatesDas, Anuradha / Pradhan, Biswaranjan et al. | 2020
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Mechanistic pathways for halogen dance reactions in bromo-thiophenes: a cascade-like patternSAKHAEE, NADER / SAKHAEE, SAHAR / MOBARAKI, AKBAR / TAKALLOU, AHMAD / SAKHAEE, MOHAMMAD HOSSEIN et al. | 2020
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A new PEPPSI type N-heterocyclic carbene palladium(II) complex and its efficiency as a catalyst for Mizoroki-Heck cross-coupling reactions in waterBorah, Dhrubajit / Saha, Biswajit / Sarma, Bipul / Das, Pankaj et al. | 2020
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A molecular electron density theory study to understand the interplay of theory and experiment in nitrone-enone cycloadditionACHARJEE, NIVEDITA / BANERJI, AVIJIT et al. | 2020
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Understanding the interactions between hydrogen-bonded complexes of xylose and water: Quantum Chemical InvestigationKoli, Amol R / Yeole, Sachin D et al. | 2020
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Effect of aggregated Aβ protofilaments on intermolecular vibrational spectrum of confined waterKhatua, Prabir / Mondal, Souvik / Bandyopadhyay, Sanjoy et al. | 2019
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The one-pot four-component eco-friendly synthesis of spirooxindoles in deep eutectic solventDevi, Thokchom Jeeta / Singh, Thokchom Prasanta / Singh, Okram Mukherjee et al. | 2020
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Influence of pH on the structures of two Cd phosphonate compoundsZHAO, LING YAN / DENG, XIAO CHEN / LIANG, GANG / ZHENG, XI BAO / LI, XI YUE et al. | 2020
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Exploring the binding mode of triflamide derivatives at the active site of Topo I and Topo II enzymes: In silico analysis and precise molecular dockingDULCE, ANDRADE-PAVÓN / OMAR, GÓMEZ-GARCÍA / CECILIO, ÁLVAREZ-TOLEDANO et al. | 2020
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Effect of aggregation on hydration of HSA protein: Steady-state Terahertz absorption spectroscopic studyManna, Biswajit / Nandi, Amitabha / Tanaka, Masahito / Toyokawa, Hiroyuki / Kuroda, Ryunosuke / Palit, Dipak K et al. | 2019
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All-inorganic perovskite $ CsPbI_{2} $Br as a promising photovoltaic absorber: a first-principles studyXu, Peng et al. | 2020
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Platinum(II), palladium(II) and gold(I) benzimidazolin-2-ylidene as potential probes for determination of N-heterocyclic carbene donor strengths and steric bulks by DFT calculationsNGUYEN, VAN HA / DINH, THI HONG NGOC / DANG, THANH TUAN et al. | 2020
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Polymorph of trans-dichlorotetrakis(pyridine-N)ruthenium(II) influenced by a dihydrazone: crystal structure, spectral, Hirshfeld surfaces, antimicrobial, toxicity and in silico docking studiesBASUMATARY, DEBAJANI / SHANKAR, MADAN KUMAR / BYRAPPA, KULLAIAH / SAIKIA, KANDARPA KUMAR / DAR, AJAZ AHMAD / BORAH, VEDANT VIKROM / SARMA, PRANJIT / MAHANTA, PRANAMI / ASTHANA, MRITUNJAYA / KEERTHIRAJ, NAMRATHA et al. | 2020