1. IDR@IIT Indore

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Issue DateTitleAuthor(s)
2021Computational insights into electrocatalytic CO2 reduction facilitated by Mn(I) half sandwich-based catalysts: Role of substitution and solventMandal, Shyama Charan; Pathak, Biswarup
2019A computational study of electrocatalytic CO2 reduction by Mn(I) complexes: Role of bipyridine substituentsRawat, Kuber Singh; Mandal, Shyama Charan; Pathak, Biswarup
2021Identifying the preferential pathways of CO2capture and hydrogenation to methanol over an Mn(i)-PNP catalyst: a computational studyMandal, Shyama Charan; Pathak, Biswarup
2019Catalytic upgrading of ethanol to: N -butanol using an aliphatic Mn-PNP complex: Theoretical insights into reaction mechanisms and product selectivityRawat, Kuber Singh; Mandal, Shyama Charan; Bhauriyal, Preeti; Garg, Priyanka; Pathak, Biswarup
2019Hexagonal Cu(111) Monolayers for Selective CO2 Hydrogenation to CH3OH: Insights from Density Functional TheoryMandal, Shyama Charan; Rawat, Kuber Singh; Garg, Priyanka; Pathak, Biswarup
2019Antibiotic-triggered reversible luminescence switching in amine-grafted mixed-linker MOF: Exceptional turn-on and ultrafast nanomolar detection of sulfadiazine and adenosine monophosphate with molecular keypad lock functionalityMandal, Shyama Charan; Pathak, Biswarup
2021Density Functional Theory Calculations on Electrocatalytic CO2Hydrogenation to C2-Based Products over Cu(100) NanocubesMandal, Shyama Charan; Pathak, Biswarup
2022Ga and Zn Atom-Doped CuAl2O4(111) Surface-Catalyzed CO2 Conversion to Dimethyl Ether: Importance of Acidic SitesDas, Amit; Mandal, Shyama Charan; Das, Sandeep; Pathak, Biswarup
2021Unraveling the catalytically preferential pathway between the direct and indirect hydrogenation of CO2to CH3OH using N-heterocyclic carbene-based Mn(i)catalysts: a theoretical approachDas, Amitabha; Mandal, Shyama Charan; Pathak, Biswarup
2019Guest-Induced Ultrasensitive Detection of Multiple Toxic Organics and Fe 3+ Ions in a Strategically Designed and Regenerative Smart Fluorescent Metal-Organic FrameworkMandal, Shyama Charan; Pathak, Biswarup

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