Search Results - "Anand, Megha"
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Scaling Relations in Homogeneous Catalysis: Analyzing the Buchwald–Hartwig Amination Reaction
Published in ACS catalysis (03-01-2020)“…Scaling relations are widely used to study surface reactions. However, the exploration of its utility in homogeneous catalysis is currently far less reported…”
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2
Monitoring oxygen production on mass-selected iridium–tantalum oxide electrocatalysts
Published in Nature energy (01-01-2022)“…Development of low-cost and high-performance oxygen evolution reaction catalysts is key to implementing polymer electrolyte membrane water electrolysers for…”
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3
Palladium–Silver Cooperativity in an Aryl Amination Reaction through C–H Functionalization
Published in ACS catalysis (05-02-2016)“…The mechanism of palladium-acetate-catalyzed ortho-amination of N-arylbenzamides by using O-benzoyl hydroxylpiperidine [PhCOON(C5H10)] has been examined by…”
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Palladium(II)-Catalyzed Direct Alkoxylation of Arenes: Evidence for Solvent-Assisted Concerted Metalation Deprotonation
Published in Organic letters (16-09-2011)“…Density functional theory investigations on the mechanism of palladium acetate catalyzed direct alkoxylation of N-methoxybenzamide in methanol reveal that the…”
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5
Mechanism of Cooperative Catalysis in a Lewis Acid Promoted Nickel-Catalyzed Dual C–H Activation Reaction
Published in Organic letters (07-09-2012)“…The mechanism of cooperativity offered by AlMe3 in a Ni-catalyzed dehydrogenative cycloaddition between substituted formamides and an alkyne is investigated by…”
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6
Scaling Relations in Homogeneous Catalysis: Analyzing the Buchwald–Hartwig Amination Reaction
Published in ACS catalysis (04-11-2019)“…Scaling relations are widely used to study surface reactions. However, the exploration of its utility in homogeneous catalysis is currently far less reported…”
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7
Electrochemical oxidation of molecular nitrogen to nitric acid - towards a molecular level understanding of the challenges
Published in Chemical science (Cambridge) (09-04-2021)“…Nitric acid is manufactured by oxidizing ammonia where the ammonia comes from an energy demanding and non-eco-friendly, Haber-Bosch process. Electrochemical…”
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8
Opportunities and Challenges in Electrolytic Propylene Epoxidation
Published in The journal of physical chemistry letters (10-03-2022)“…Propylene oxide (PO) is an important chemical. So far, its synthesis protocol relies on expensive oxidants. In contrast, direct epoxidation of propylene (DEP)…”
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9
Scaling Relationships and Volcano Plots in Homogeneous Catalysis
Published in The journal of physical chemistry letters (15-10-2020)“…Scaling relations and volcano plots are widely used in heterogeneous catalysis. In this Perspective, we discuss the prospects and challenges associated with…”
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10
Analysis of the limitations in the oxygen reduction activity of transition metal oxide surfaces
Published in Nature catalysis (01-06-2021)“…The oxygen reduction reaction (ORR) is the key bottleneck in the performance of fuel cells. So far, the most active and stable electrocatalysts for the…”
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Non-innocent Additives in a Palladium(II)-Catalyzed C–H Bond Activation Reaction: Insights into Multimetallic Active Catalysts
Published in Journal of the American Chemical Society (16-04-2014)“…The role of a widely employed additive (AgOAc) in a palladium acetate-catalyzed ortho-C–H bond activation reaction has been examined using the M06 density…”
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Is silver a mere terminal oxidant in palladium catalyzed C-H bond activation reactions?
Published in Chemical science (Cambridge) (07-01-2020)“…In the contemporary practice of palladium catalysis, a molecular understanding of the role of vital additives used in such reactions continues to remain rather…”
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13
Role of Explicit Solvents in Palladium(II)-Catalyzed Alkoxylation of Arenes: An Interesting Paradigm for Preferred Outer-Sphere Reductive Elimination over Inner-Sphere Pathway
Published in Organometallics (10-09-2012)“…The mechanism of palladium acetate catalyzed directed C(sp2)–H functionalization of N-methoxybenzamide in methanol leading to an ortho-alkoxylated product is…”
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14
Exploring the Effect of Gold Support on the Oxygen Reduction Reaction Activity of Metal Porphycenes
Published in ChemCatChem (07-12-2018)“…It has been a long‐standing goal to find alternative, cost effective catalysts for oxygen reduction reaction (ORR) in fuel cells. Molecular complexes capable…”
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Is silver a mere terminal oxidant in palladium catalyzed C–H bond activation reactions?† †Electronic supplementary information (ESI) available. See DOI: 10.1039/c9sc04540f
Published in Chemical science (Cambridge) (13-11-2019)“…We disclose an intriguing and a potentially general role for one of the most commonly used silver salt additives whose molecular understanding continues to…”
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16
Hydrogen bond-aromaticity cooperativity in self-assembling 4-pyridone chains
Published in Journal of computational chemistry (05-01-2016)“…Self‐assembling building blocks like the 4‐pyridone can exhibit extraordinary H‐bond‐aromaticity coupling effects. Computed dissected nucleus independent…”
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17
Retrospective investigation of the effects and efficiency of self-ligating and conventional brackets
Published in American journal of orthodontics and dentofacial orthopedics (01-07-2015)“…Introduction The purpose of this retrospective cohort study was to assess the effects and efficiency of self-ligating brackets compared with conventional…”
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A Retrospective Investigation of the Effects and Efficiency of Self-ligating and Conventional Brackets
Published 01-01-2013“…Introduction: Marketing strategies for self-ligating brackets have focused on less need for extractions and faster treatment. Recent meta-analyses have not…”
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Dissertation