Výsledky vyhledávání - "Ramabhadran RO"

Akademický článek

Binding order of substrate and cofactor in sulfonamide monooxygenase during sulfa drug degradation: in silico studies.

Autor: Desai A; Department of Biology, Indian Institute of Science Education and Research Tirupati, Tirupati, India., Mahajan V; Department of Chemistry, Indian Institute of Science Education and Research Tirupati, Tirupati, India., Ramabhadran RO; Department of Chemistry, Indian Institute of Science Education and Research Tirupati, Tirupati, India., Mukherjee R; Department of Biology, Indian Institute of Science Education and Research Tirupati, Tirupati, India.

Publikováno v: Journal of biomolecular structure & dynamics [J Biomol Struct Dyn] 2024 Jan 23, pp. 1-15. Date of Electronic Publication: 2024 Jan 23.

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Accurate Computation of Aqueous p K a s of Biologically Relevant Organic Acids: Overcoming the Challenges Posed by Multiple Conformers, Tautomeric Equilibria, and Disparate Functional Groups with the Fully Black-Box p K -Yay Method.

Autor: Pereira RW; Department of Chemistry, Indian Institute of Science Education and Research (IISER) Tirupati, Andhra Pradesh 517507, India.; Centre for Atomic Molecular Optical Sciences and Technology (CAMOST), Tirupati, Andhra Pradesh 517507, India., Ramabhadran RO; Department of Chemistry, Indian Institute of Science Education and Research (IISER) Tirupati, Andhra Pradesh 517507, India.; Centre for Atomic Molecular Optical Sciences and Technology (CAMOST), Tirupati, Andhra Pradesh 517507, India.

Publikováno v: The journal of physical chemistry. A [J Phys Chem A] 2023 Nov 02; Vol. 127 (43), pp. 9121-9138. Date of Electronic Publication: 2023 Oct 20.

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Akademický článek

Molecular growth of PANH via intermolecular Coulombic decay.

Autor: Barik S; Department of Physics, Indian Institute of Technology Madras, Chennai, India., Behera NR; Department of Physics, Indian Institute of Technology Madras, Chennai, India., Dutta S; Department of Physics, Indian Institute of Technology Madras, Chennai, India., Kushawaha RK; Physical Research Laboratory, Ahmedabad, India., Sajeev Y; Theoretical Chemistry Section, Bhabha Atomic Research Centre, Mumbai, India., Ramabhadran RO; Indian Institute of Science Education and Research, Tirupati, India., Aravind G; Department of Physics, Indian Institute of Technology Madras, Chennai, India.

Publikováno v: Science advances [Sci Adv] 2023 Jul 28; Vol. 9 (30), pp. eadi0230. Date of Electronic Publication: 2023 Jul 26.

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Intrinsic vs Reaction-Driven Fluxionality in Transition-Metal Oxide Clusters: What Does Probing the Dynamics of M 3 O 6 ^- (M = Mo and W) Reacting with H 2 O Teach Us?

Autor: Pereira RW; Department of Chemistry, Indian Institute of Science Education and Research (IISER), Tirupati, Andhra Pradesh 517507, India.; Centre for Atomic Molecular Optical Sciences and Technology (CAMOST), Tirupati, Andhra Pradesh 517507, India., Joshi K; Department of Chemistry, Indian Institute of Science Education and Research (IISER), Tirupati, Andhra Pradesh 517507, India.; Centre for Atomic Molecular Optical Sciences and Technology (CAMOST), Tirupati, Andhra Pradesh 517507, India., Ramabhadran RO; Department of Chemistry, Indian Institute of Science Education and Research (IISER), Tirupati, Andhra Pradesh 517507, India.; Centre for Atomic Molecular Optical Sciences and Technology (CAMOST), Tirupati, Andhra Pradesh 517507, India.

Publikováno v: The journal of physical chemistry. A [J Phys Chem A] 2023 Jun 01; Vol. 127 (21), pp. 4650-4659. Date of Electronic Publication: 2023 May 19.

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Akademický článek

Aza-PNA: Engineering E-Rotamer Selectivity Directed by Intramolecular H-bonding.

Autor: Shiraj A; Department of Chemistry, Indian Institute of Science Education and Research Pune, Dr Homi Bhabha Road, Pune 411008, Maharashtra, India., Ramabhadran RO; Department of Chemistry, Indian Institute of Science Education and Research Tirupati, Karkambadi Road, Tirupati 517507, Andhra Pradesh, India., Ganesh KN; Department of Chemistry, Indian Institute of Science Education and Research Pune, Dr Homi Bhabha Road, Pune 411008, Maharashtra, India.; Department of Chemistry, Indian Institute of Science Education and Research Tirupati, Karkambadi Road, Tirupati 517507, Andhra Pradesh, India.

Publikováno v: Organic letters [Org Lett] 2022 Oct 14; Vol. 24 (40), pp. 7421-7427. Date of Electronic Publication: 2022 Oct 03.

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Gem-dimethyl peptide nucleic acid (α/β/γ- gdm -PNA) monomers: synthesis and the role of gdm -substituents in preferential stabilisation of Z / E -rotamers.

Autor: Kulkarni P; Department of Chemistry, Indian Institute of Science Education and Research (IISER) Pune, Dr Homi Bhabha Road, Pune 411008, India., Datta D; Department of Chemistry, Indian Institute of Science Education and Research (IISER) Pune, Dr Homi Bhabha Road, Pune 411008, India., Ramabhadran RO; Chemistry Department and CAMOST, Indian Institute of Science Education and Research (IISER) Tirupati, Karkambadi Road, Mangalam, Tirupati 517507, India. kn.ganesh@iisertirupati.ac.in., Ganesh K; Department of Chemistry, Indian Institute of Science Education and Research (IISER) Pune, Dr Homi Bhabha Road, Pune 411008, India and Chemistry Department and CAMOST, Indian Institute of Science Education and Research (IISER) Tirupati, Karkambadi Road, Mangalam, Tirupati 517507, India. kn.ganesh@iisertirupati.ac.in.

Publikováno v: Organic & biomolecular chemistry [Org Biomol Chem] 2021 Jul 28; Vol. 19 (29), pp. 6534-6545.

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Pathways for the Formation of Formamide, a Prebiotic Biomonomer: Metal-Ions in Interstellar Gas-Phase Chemistry.

Autor: Thripati S; Department of Chemistry, Indian Institute of Science Education and Research, Tirupati Andhra Pradesh 517507, India.; Center for Atomic, Molecular, and Optical Sciences and Technologies (CAMOST), Tirupati, Andhra Pradesh 517507, India., Ramabhadran RO; Department of Chemistry, Indian Institute of Science Education and Research, Tirupati Andhra Pradesh 517507, India.; Center for Atomic, Molecular, and Optical Sciences and Technologies (CAMOST), Tirupati, Andhra Pradesh 517507, India.

Publikováno v: The journal of physical chemistry. A [J Phys Chem A] 2021 Apr 29; Vol. 125 (16), pp. 3457-3472. Date of Electronic Publication: 2021 Apr 16.

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Akademický článek

pK-Yay: A Black-Box Method Using Density Functional Theory and Implicit Solvation Models to Compute Aqueous p K a Values of Weak and Strong Acids.

Autor: Pereira RW; Department of Chemistry, Indian Institute of Science Education and Research (IISER), Tirupati, Andhra Pradesh 517507, India.; Centre for Atomic, Molecular, and Optical Sciences and Technology (CAMOST), Tirupati, Andhra Pradesh 517507, India., Ramabhadran RO; Department of Chemistry, Indian Institute of Science Education and Research (IISER), Tirupati, Andhra Pradesh 517507, India.; Centre for Atomic, Molecular, and Optical Sciences and Technology (CAMOST), Tirupati, Andhra Pradesh 517507, India.

Publikováno v: The journal of physical chemistry. A [J Phys Chem A] 2020 Oct 29; Vol. 124 (43), pp. 9061-9074. Date of Electronic Publication: 2020 Oct 19.

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Akademický článek

Theoretical Investigation of a Vital Step in the Gas-Phase Formation of Interstellar Ammonia NH 2 ⁺ + H 2 → NH 3 ⁺ + H.

Autor: Mohandas S; Department of Physics, Indian Institute of Science Education and Research (IISER) Tirupati, Tirupati 517507 Andhra Pradesh, India.; Center for Atomic, Molecular, and Optical Sciences & Technologies, Indian Institute of Science Education and Research (IISER) Tirupati, Tirupati 517507 Andhra Pradesh, India., Ramabhadran RO; Department of Chemistry, Indian Institute of Science Education and Research (IISER) Tirupati, Tirupati 517507 Andhra Pradesh, India.; Center for Atomic, Molecular, and Optical Sciences & Technologies, Indian Institute of Science Education and Research (IISER) Tirupati, Tirupati 517507 Andhra Pradesh, India., Kumar SS; Department of Physics, Indian Institute of Science Education and Research (IISER) Tirupati, Tirupati 517507 Andhra Pradesh, India.; Center for Atomic, Molecular, and Optical Sciences & Technologies, Indian Institute of Science Education and Research (IISER) Tirupati, Tirupati 517507 Andhra Pradesh, India.

Publikováno v: The journal of physical chemistry. A [J Phys Chem A] 2020 Oct 15; Vol. 124 (41), pp. 8373-8382. Date of Electronic Publication: 2020 Oct 02.

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Akademický článek

Mechanistic insights of Cu(ii)-mediated ortho-C-H amination of arenes by capturing fleeting intermediates and theoretical calculations.

Autor: Kumar M; Department of Chemistry, University of Delhi, Delhi 110007, India. averma@acbr.du.ac.in., Verma S; Department of Chemistry, University of Delhi, Delhi 110007, India. averma@acbr.du.ac.in., Kumar A; Department of Chemistry, Indian Institute of Science Education and Research Tirupati, Tirupati 517507, India. raghurama@iisertirupati.ac.in shibdas@iisertirupati.ac.in., Mishra PK; Department of Chemistry, University of Delhi, Delhi 110007, India. averma@acbr.du.ac.in., Ramabhadran RO; Department of Chemistry, Indian Institute of Science Education and Research Tirupati, Tirupati 517507, India. raghurama@iisertirupati.ac.in shibdas@iisertirupati.ac.in., Banerjee S; Department of Chemistry, Indian Institute of Science Education and Research Tirupati, Tirupati 517507, India. raghurama@iisertirupati.ac.in shibdas@iisertirupati.ac.in., Verma AK; Department of Chemistry, University of Delhi, Delhi 110007, India. averma@acbr.du.ac.in.

Publikováno v: Chemical communications (Cambridge, England) [Chem Commun (Camb)] 2019 Aug 14; Vol. 55 (63), pp. 9359-9362. Date of Electronic Publication: 2019 Jul 18.

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