Raghunath O Ramabhadran

Publication Activity (10 Years)

Years Active: 2017-2023
Publications (10 Years): 9

Top Topics

Metal Organic Framework

Electron Transfer

Density Functional Theory

Top Venues

The journal of physical chemistry. A

Organic letters

Science advances

Chemical communications (Cambridge, England)

This page only lists publications with an associated author ORCID identifier.

Publications

Roshni W Pereira, Krati Joshi, Raghunath O Ramabhadran
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? The journal of physical chemistry. A (2023)
Roshni W Pereira, Raghunath O Ramabhadran
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. The journal of physical chemistry. A (2023)
Saroj Barik, Nihar Ranjan Behera, Saurav Dutta, Rajesh Kumar Kushawaha, Y Sajeev, Raghunath O Ramabhadran, G Aravind
Molecular growth of PANH via intermolecular Coulombic decay. Science advances 9 (30) (2023)
Abdul Shiraj, Raghunath O Ramabhadran, Krishna N Ganesh
Aza-PNA: Engineering E-Rotamer Selectivity Directed by Intramolecular H-bonding. Organic letters 24 (40) (2022)
Sorakayala Thripati, Raghunath O Ramabhadran
Pathways for the Formation of Formamide, a Prebiotic Biomonomer: Metal-Ions in Interstellar Gas-Phase Chemistry. The journal of physical chemistry. A 125 (16) (2021)
Roshni W Pereira, Raghunath O Ramabhadran
pK-Yay: A Black-Box Method Using Density Functional Theory and Implicit Solvation Models to Compute Aqueous pKa Values of Weak and Strong Acids. The journal of physical chemistry. A 124 (43) (2020)
Salvi Mohandas, Raghunath O Ramabhadran, S Sunil Kumar
Theoretical Investigation of a Vital Step in the Gas-Phase Formation of Interstellar Ammonia NH2+ + H2 → NH3+ + H. The journal of physical chemistry. A 124 (41) (2020)
Manoj Kumar, Shalini Verma, Anubhav Kumar, Pawan K Mishra, Raghunath O Ramabhadran, Shibdas Banerjee, Akhilesh K Verma
Mechanistic insights of Cu(ii)-mediated ortho-C-H amination of arenes by capturing fleeting intermediates and theoretical calculations. Chemical communications (Cambridge, England) 55 (63) (2019)
Sorakayala Thripati, Raghunath O Ramabhadran
Metal-Ion- and Hydrogen-Bond-Mediated Interstellar Prebiotic Chemistry: The First Step in the Formose Reaction. The journal of physical chemistry. A 121 (45) (2017)