Search Results - "Paul, Amit"

Unravelling the role of temperature in a redox supercapacitor composed of multifarious nanoporous carbon@hydroquinone by Barua, Aditi, Paul, Amit

“…The intermittency of renewable energy sources has led to the invention of supercapacitors. The variation of temperature impacts their working capability…”
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Molecular Level Control of the Capacitance of Two-Dimensional Covalent Organic Frameworks: Role of Hydrogen Bonding in Energy Storage Materials by Chandra, Suman, Roy Chowdhury, Debarati, Addicoat, Matthew, Heine, Thomas, Paul, Amit, Banerjee, Rahul

“…Two-dimensional redox-active covalent organic frameworks (COFs) are ideal materials for energy storage applications due to their high surface area, extended π…”
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Unimolecular Dissociation of C6H6–C6Cl6 Complex and Effect of Mode–Mode Coupling by Mahanta, Himashree, Paul, Amit K

“…The unimolecular dissociation dynamics of the C6H6–C6Cl6 (Bz–HCB) complex is studied with initial excitation of all vibrational modes for a temperature range…”
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Electrochemical Gold‐Catalyzed 1,2‐Difunctionalization of C−C Multiple Bonds by Kumar, Anil, Shukla, Khyati, Ahsan, Salman, Paul, Amit, Patil, Nitin T.

“…Herein, we disclose the first report of 1,2‐difunctionalization of C−C multiple bonds using electrochemical gold redox catalysis. By adopting the…”
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Importance of Electrode Preparation Methodologies in Supercapacitor Applications by M, Arunkumar, Paul, Amit

“…The work reported here aims toward the optimization of electrode preparation methodologies for superior performance of supercapacitors through a rigorous…”
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Post-Transition-State Direct Dynamics Simulations on the Ozonolysis of Catechol by Agarwal, Ankita, Boruah, Palash Jyoti, Sarkar, Biplab, Paul, Amit K.

“…On-the-fly dynamics simulations are performed for the reaction of catechol + O3. The post transition state (TS) dynamics is studied at temperatures of 400 and…”
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Proton-Coupled Electron Transfer by Weinberg, David R, Gagliardi, Christopher J, Hull, Jonathan F, Murphy, Christine Fecenko, Kent, Caleb A, Westlake, Brittany C, Paul, Amit, Ess, Daniel H, McCafferty, Dewey Granville, Meyer, Thomas J

“…The importance of proton-coupled electron transfer (PCET) and its potential for practical applications in the areas of energy conversion and catalysis are…”
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A Photochemical Intramolecular C–N Coupling Toward the Synthesis of Benzimidazole-Fused Phenanthridines by Bera, Shyamal Kanti, Boruah, Palash J, Parida, Shraddha Saraswati, Paul, Amit K, Mal, Prasenjit

“…Herein, we report a direct photochemical dehydrogenative C–N coupling of unactivated C­(sp2)–H and N­(sp2)–H bonds. The catalysts or additive-free…”
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Differential acetylation of histone H3 at the regulatory region of OsDREB1b promoter facilitates chromatin remodelling and transcription activation during cold stress by Roy, Dipan, Paul, Amit, Roy, Adrita, Ghosh, Ritesh, Ganguly, Payel, Chaudhuri, Shubho

“…The rice ortholog of DREB1, OsDREB1b, is transcriptionally induced by cold stress and over-expression of OsDREB1b results in increase tolerance towards high…”
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Identification of Differentially Expressed Genes to Establish New Biomarker for Cancer Prediction by Paul, Amit, Sil, Jaya

“…The goal of the human genome project is to integrate genetic information into different clinical therapies. To achieve this goal, different computational…”
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Details of ozonolysis of catechol at high temperature and product energy distribution by Agarwal, Ankita, Paul, Amit Kumar

“…On-the-fly classical dynamics simulation is performed for the post-transition state dynamics of ozonolysis of catechol at an internal (rotational +…”
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Zero-Point Energy Constraint for Unimolecular Dissociation Reactions. Giving Trajectories Multiple Chances To Dissociate Correctly by Paul, Amit K., Hase, William L.

“…A zero-point energy (ZPE) constraint model is proposed for classical trajectory simulations of unimolecular decomposition and applied to CH4* → H + CH3…”
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Electrochemical Synthesis of Dimeric 2‑Oxindole Sharing Vicinal Quaternary Centers Employing Proton-Coupled Electron Transfer by Sharma, Sulekha, Roy, Avishek, Shaw, Kundan, Bisai, Alakesh, Paul, Amit

“…Dimerization of 3-substituted 2-oxindoles has been developed under a mild electrochemical condition, avoiding toxic chemical oxidants and metal by-products…”
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A Competition between Dissociation Pathway and Energy Transfer Pathway: Unimolecular Dissociation of a Benzene–Hexafluorobenzene Complex in Nitrogen Bath by Ahamed, Sk. Samir, Mahanta, Himashree, Paul, Amit K

“…The unimolecular dissociation of a benzene–hexafluorobenzene complex at 1000, 1500, and 2000 K is studied inside a bath of 1000 N2 molecules kept at 300 K…”
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A Better Understanding of the Unimolecular Dissociation Dynamics of Weakly Bound Aromatic Compounds at High Temperature: A Study on C6H6–C6F6 and Comparison with C6H6 Dimer by Mahanta, Himashree, Baishya, Daradi, Ahamed, Sk. Samir, Paul, Amit K

“…Chemical dynamics simulations are performed to study the unimolecular dissociation of the benzene (Bz)–hexafluorobenzene (HFB) complex at five different…”
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A Better Understanding of the Unimolecular Dissociation Dynamics of Weakly Bound Aromatic Compounds at High Temperature: A Study on C 6 H 6 -C 6 F 6 and Comparison with C 6 H 6 Dimer by Mahanta, Himashree, Baishya, Daradi, Ahamed, Sk Samir, Paul, Amit K

“…Chemical dynamics simulations are performed to study the unimolecular dissociation of the benzene (Bz)-hexafluorobenzene (HFB) complex at five different…”
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Chemical Dynamics Simulations on Association and Ensuing Dissociation of a Benzene–Hexafluorobenzene Molecular System by Mahanta, Himashree, Baishya, Daradi, Ahamed, Sk. Samir, Paul, Amit K

“…Chemical dynamics simulations are performed to study the association of benzene (Bz) and hexafluorobenzene (HFB) followed by the ensuing dissociation of the…”
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Cobalt Phosphonates as Precatalysts for Water Oxidation: Role of Pore Size in Catalysis by Saha, Jony, Chowdhury, Debarati Roy, Jash, Priyajit, Paul, Amit

“…We report a simple approach for the synthesis of cobalt phosphonate (CoOP) nanocages with two distinct types of pore diameters by utilizing a novel…”
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A kinetic study of ferrocenium cation decomposition utilizing an integrated electrochemical methodology composed of cyclic voltammetry and amperometry by Singh, Archana, Chowdhury, Debarati Roy, Paul, Amit

“…A novel, easy, quick, and inexpensive integrated electrochemical methodology composed of cyclic voltammetry and amperometry has been developed for the…”
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Non-directed Pd-catalysed electrooxidative olefination of arenes by Panja, Subir, Ahsan, Salman, Pal, Tanay, Kolb, Simon, Ali, Wajid, Sharma, Sulekha, Das, Chandan, Grover, Jagrit, Dutta, Arnab, Werz, Daniel B, Paul, Amit, Maiti, Debabrata

“…The Fujiwara-Moritani reaction is a powerful tool for the olefination of arenes by Pd-catalysed C-H activation. However, the need for superstoichiometric…”
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