Recent advances in CNT/graphene based thermoelectric polymer nanocomposite: A proficient move towards waste energy harvesting
Dey, Abhijit, Bajpai, Om Prakash, Sikder, Arun K., Chattopadhyay, Santanu, Shafeeuulla Khan, Md Abdul
Published in Renewable & sustainable energy reviews (01.01.2016)
Published in Renewable & sustainable energy reviews (01.01.2016)
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Understanding metastable phase transformation during crystallization of RDX, HMX and CL-20: experimental and DFT studies
Ghosh, Mrinal, Banerjee, Shaibal, Shafeeuulla Khan, Md Abdul, Sikder, Nirmala, Sikder, Arun Kanti
Published in Physical chemistry chemical physics : PCCP (14.09.2016)
Published in Physical chemistry chemical physics : PCCP (14.09.2016)
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Computational exploration of Cu(II)-en chelate-catalyzed hydrolysis of O-isopropyl methylphosphonofluoridate
Khan, Md Abdul Shafeeuulla, Bhanuchander, Nellore, Reddy, Jaggavarapu Satyanarayana, Anna, Venkateswaara Rao, Ganguly, Bishwajit
Published in Journal of molecular modeling (01.07.2023)
Published in Journal of molecular modeling (01.07.2023)
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A DFT approach towards understanding the thermal stability of TKX-50 and their key precursors through band gaps and MESP
Adak, P. K., Singh, Sunil Kumar, Singh, Jaivindra, Mahesh, Siribattula, Jain, M. K., Sagar, P. Anand Kumar, Banerjee, Shaibal, Khan, Md Abdul Shafeeuulla
Published in Journal of molecular modeling (01.12.2022)
Published in Journal of molecular modeling (01.12.2022)
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Probing the compatibility of energetic binder poly-glycidyl nitrate with energetic plasticizers: thermal, rheological and DFT studies
Shee, Sujit Kumar, Reddy, Sreekantha T., Athar, Javaid, Sikder, Arun Kanti, Talawar, M. B., Banerjee, Shaibal, Shafeeuulla Khan, Md Abdul
Published in RSC advances (01.01.2015)
Published in RSC advances (01.01.2015)
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A graphene titanium dioxide nanocomposite (GTNC): one pot green synthesis and its application in a solid rocket propellant
Dey, Abhijit, Nangare, Vinit, More, Priyesh V., Shafeeuulla Khan, Md Abdul, Khanna, Pawan K., Sikder, Arun Kanti, Chattopadhyay, Santanu
Published in RSC advances (01.01.2015)
Published in RSC advances (01.01.2015)
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Calculation of enthalpies of formation and band gaps of polymeric binders
Shafeeuulla Khan, Md Abdul, Dey, Abhijit, Athar, Javaid, Sikder, Arun Kanti
Published in RSC advances (01.01.2014)
Published in RSC advances (01.01.2014)
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Polymer based graphene/titanium dioxide nanocomposite (GTNC): an emerging and efficient thermoelectric material
Dey, Abhijit, Hadavale, Sayali, Khan, Md Abdul Shafeeuulla, More, Priyesh, Khanna, Pawan K, Sikder, Arun Kanti, Chattopadhyay, Santanu
Published in Dalton transactions : an international journal of inorganic chemistry (01.01.2015)
Published in Dalton transactions : an international journal of inorganic chemistry (01.01.2015)
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Solvolysis process of organophosphorus compound P-[2-(dimethylamino)ethyl]-N,N-dimethylphosphonamidic fluoride with simple and α-nucleophiles: a DFT study
Kesharwani, Manoj K., Khan, Md. Abdul Shafeeuulla, Bandyopadhyay, Tusar, Ganguly, Bishwajit
Published in Theoretical chemistry accounts (01.09.2010)
Published in Theoretical chemistry accounts (01.09.2010)
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Understanding the reactivity of bis(propargyl) aromatic esters towards GAP: a theoretical explorationElectronic supplementary information (ESI) available: Cartesian coordinates of all the optimized stationary points at M052X/6-311G(d,p) in the gas phase, including corresponding charge, multiplicity, thermodynamic data generated from frequency calculation and imaginary frequencies of all the transition state geometries. See DOI: 10.1039/c7nj01172e
Sonawane, Sanjeevani H, Banerjee, Shaibal, Sider, Arun K, Talawar, Mahadev B, Khan, Md Abdul Shafeeuulla
Year of Publication 07.08.2017
Year of Publication 07.08.2017
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Journal Article
Understanding metastable phase transformation during crystallization of RDX, HMX and CL-20: experimental and DFT studiesElectronic supplementary information (ESI) available: Powder XRD patterns, FTIR spectra and DSC profiles of RDX, HMX and CL-20 polymorphs under study are provided. Cartesian coordinates of all the optimized stationary points at B3LYP/6-311G(d,p) in the gas phase, including the corresponding charge and multiplicity, are given. See DOI: 10.1039/c6cp02185a
Ghosh, Mrinal, Banerjee, Shaibal, Shafeeuulla Khan, Md Abdul, Sikder, Nirmala, Sikder, Arun Kanti
Year of Publication 24.08.2016
Year of Publication 24.08.2016
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