Zobrazeno 1 - 10 of 143 pro vyhledávání: '"Dilip K. Maity"'
2
Structure, stability and spectral properties of seleno[n]helicenes (n = 1–10)
Autor: Dilip K. Maity, Rahul Kumar
Publikováno v: New Journal of Chemistry. 44:428-441
The structure, energy and spectral properties of neutral end substituted seleno[n]helicenes (n = 1–10) are presented. Equilibrium structures are calculated by applying the B3LYP-D/6-311++G(d,p) method in DCM solvent considering a macroscopic solven
Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_________::9d485447798a4686af3a643a66d879f3
https://doi.org/10.1039/c9nj05001a
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3
Room-Temperature Amination of Chloroheteroarenes in Water by a Recyclable Copper(II)-Phosphaadamantanium Sulfonate System
Autor: Dipesh Somvanshi, Aman A. Desai, Santosh Kori, Dilip K. Maity, Rambabu Dandela, Udaysinh Parmar, Anant R. Kapdi
Publikováno v: The Journal of organic chemistry. 86(13)
Buchwald-Hartwig amination of chloroheteroarenes has been a challenging synthetic process, with very few protocols promoting this important transformation at ambient temperature. The current report discusses about an efficient copper-based catalytic
Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::e8c26ccda6737926b8ce985b25db108f
https://pubmed.ncbi.nlm.nih.gov/34156851
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4
End‐substituted thiahelicenes for electronic device applications
Autor: Dilip K. Maity, Rahul Kumar
Publikováno v: International Journal of Quantum Chemistry. 121
Minimum energy structures of neutral and radical cations of end substituted thia[n]helicenes (n=1-10) in DCM solvent are reported. For both neutral and radical cations of these helicenes, calculated structures are non-planar for n=3-10. Helical struc
Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_________::cef606ac2f4eb1a6bc3efdeae9558535
https://doi.org/10.1002/qua.26450
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6
Pulse Radiolysis and Computational Studies on a Pyrrolidinium Dicyanamide Ionic Liquid: Detection of the Dimer Radical Anion
Autor: Dilip K. Maity, James F. Wishart, Soumyakanti Adhikari, Surajdevprakash B. Dhiman, Rahul Kumar, Laboni Das
Publikováno v: The Journal of Physical Chemistry A. 122:3148-3155
A pulse radiolysis study on pyrrolidinium cation based ionic liquids is presented herein. Time-resolved absorption spectra for 1-methyl-1-propylpyrrolidinium dicyanamide (DCA) at 500 ns after the electron pulse show broad absorption bands at waveleng
Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::5158bfe7bc8ee364acccfef613f30c0b
https://doi.org/10.1021/acs.jpca.8b00978
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7
Microhydration of 2-Naphthol at Ground, First Excited Triplet, and First Excited Singlet States: A Case Study on Photo Acids
Autor: Parvathi Krishnakumar, Rahul Kar, Dilip K. Maity
Publikováno v: The Journal of Physical Chemistry A. 122:929-936
Molecular interactions of 2-naphthol (nap) with water molecules are studied at the ground, first excited triplet and first excited singlet states, applying DFT and TD-DFT methods. The minimum energy structure of hydrated clusters of 2-naphthol up to
Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::2f28593f0991aeee5733c8c0d9fcea81
https://doi.org/10.1021/acs.jpca.7b09579
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8
Inhibition of the prototropic tautomerism in chrysazine by p-sulfonatocalixarene hosts
Autor: Poojan Milan Gharat, Sharmistha Dutta Choudhury, Haridas Pal, Dilip K. Maity
Publikováno v: Organic & Biomolecular Chemistry. 16:5178-5187
This study explores the interesting effect of p-sulfonatocalix[n]arene hosts (SCXn) on the excited-state tautomeric equilibrium of Chrysazine (CZ), a model antitumour drug molecule. Detailed photophysical investigations reveal that conversion of CZ f
Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::d38bbd64505dd5826933cecfe1a8935d
https://doi.org/10.1039/c8ob00978c
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9
Set of Multifunctional Azo Functionalized Semiconducting Cd(II)-MOFs Showing Photoswitching Property and Selective CO2 Adsorption
Autor: Debajyoti Ghoshal, Arka Dey, Partha Pratim Ray, Arijit Halder, Saheli Ghosh, Dilip K. Maity
Publikováno v: Inorganic Chemistry. 57:251-263
Syntheses, structural characterizations, photoluminescence, and adsorption properties of three new azo-functionalized Cd(II)-MOFs, namely, {[Cd(azbpy)(msuc)]·2.5(H2O)}n (2), {[Cd(azbpy)(mglu)]·5(H2O)}n (3), and {[Cd1.5(azbpy)2(glu)]·(NO3)·MeOH}n
Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_________::bf935d7c601e5c76e220c7f1ae73727d
https://doi.org/10.1021/acs.inorgchem.7b02435
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10
Microhydration of oxalic acid leading to dissociation
Autor: Dilip K. Maity, Parvathi Krishnakumar
Publikováno v: Molecular Physics. 115:3224-3233
The effect of microhydration on the simplest dicarboxylic acid, namely oxalic acid, leading to the dissociation of its proton, is studied using first principle-based electronic structure calculatio...
Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_________::fc9442086a7054ab34988f4f567d3de5
https://doi.org/10.1080/00268976.2017.1359346
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