Search Results - "Anand, Megha"

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  1. 1

    Scaling Relations in Homogeneous Catalysis: Analyzing the Buchwald–Hartwig Amination Reaction by Anand, Megha, Nørskov, Jens K

    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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    Journal Article
  2. 2
  3. 3

    Palladium–Silver Cooperativity in an Aryl Amination Reaction through C–H Functionalization by Anand, Megha, Sunoj, Raghavan B, Schaefer, Henry F

    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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    Journal Article
  4. 4

    Palladium(II)-Catalyzed Direct Alkoxylation of Arenes: Evidence for Solvent-Assisted Concerted Metalation Deprotonation by Anand, Megha, Sunoj, Raghavan B

    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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    Journal Article
  5. 5

    Mechanism of Cooperative Catalysis in a Lewis Acid Promoted Nickel-Catalyzed Dual C–H Activation Reaction by Anand, Megha, Sunoj, Raghavan B

    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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    Journal Article
  6. 6

    Scaling Relations in Homogeneous Catalysis: Analyzing the Buchwald–Hartwig Amination Reaction by Anand, Megha, Nørskov, Jens K.

    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…”
    Get full text
    Journal Article
  7. 7

    Electrochemical oxidation of molecular nitrogen to nitric acid - towards a molecular level understanding of the challenges by Anand, Megha, Abraham, Christina S, Nørskov, Jens K

    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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    Journal Article
  8. 8

    Opportunities and Challenges in Electrolytic Propylene Epoxidation by Li, Hao, Abraham, Christina Susan, Anand, Megha, Cao, Ang, Nørskov, Jens K

    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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    Journal Article
  9. 9

    Scaling Relationships and Volcano Plots in Homogeneous Catalysis by Anand, Megha, Rohr, Brian, Statt, Michael J, Nørskov, Jens K

    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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    Journal Article
  10. 10

    Analysis of the limitations in the oxygen reduction activity of transition metal oxide surfaces by Li, Hao, Kelly, Sara, Guevarra, Dan, Wang, Zhenbin, Wang, Yu, Haber, Joel A., Anand, Megha, Gunasooriya, G. T. Kasun Kalhara, Abraham, Christina Susan, Vijay, Sudarshan, Gregoire, John M., Nørskov, Jens K.

    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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    Journal Article
  11. 11

    Non-innocent Additives in a Palladium(II)-Catalyzed C–H Bond Activation Reaction: Insights into Multimetallic Active Catalysts by Anand, Megha, Sunoj, Raghavan B, Schaefer, Henry F

    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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    Journal Article
  12. 12

    Is silver a mere terminal oxidant in palladium catalyzed C-H bond activation reactions? by Bhaskararao, Bangaru, Singh, Sukriti, Anand, Megha, Verma, Pritha, Prakash, Prafull, C, Athira, Malakar, Santanu, Schaefer, Henry F, Sunoj, Raghavan B

    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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    Journal Article
  13. 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 by Anand, Megha, Sunoj, Raghavan B

    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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    Journal Article
  14. 14

    Exploring the Effect of Gold Support on the Oxygen Reduction Reaction Activity of Metal Porphycenes by Anand, Megha, Siahrostami, Samira, Nørskov, Jens K.

    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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    Journal Article
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    Hydrogen bond-aromaticity cooperativity in self-assembling 4-pyridone chains by Anand, Megha, Fernández, Israel, Schaefer III, Henry F., Wu, Judy I-Chia

    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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    Journal Article
  17. 17

    Retrospective investigation of the effects and efficiency of self-ligating and conventional brackets by Anand, Megha, Turpin, David L, Jumani, Ketan S, Spiekerman, Charles F, Huang, Greg J

    “…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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    Journal Article
  18. 18

    A Retrospective Investigation of the Effects and Efficiency of Self-ligating and Conventional Brackets by Anand, Megha

    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