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Raghunath O. Ramabhadran
Observed names:
Raghunath O Ramabhadran,
Ramabhadran, Raghunath,
Ramabhadran, Raghunath O,
Ramabhadran, Raghunath O.
Institution:
Indian Institute of Science Education and Research, Tirupati
Observed institutions:
University of California, Los Angeles,
Indiana University Bloomington,
Indian Institute of Science Education and Research, Tirupati,
Indiana University
ORCID:
0000-0001-9938-5446
Observed ORCID:
0000-0001-9938-5446
OpenAlex ID:
A5076702835
Enzymatic hydroxylation of an unactivated methylene C–H bond guided by molecular dynamics simulations
2015
·
Alison R. H. Narayan
, Gonzalo Jiménez-Osés
, et al.
·
Nature Chemistry
·
126
Aromatic and Aliphatic CH Hydrogen Bonds Fight for Chloride while Competing Alongside Ion Pairing within Triazolophanes
2010
·
Yuran Hua
, Raghunath O. Ramabhadran
, et al.
·
Chemistry - A European Journal
·
108
Theoretical Thermochemistry for Organic Molecules: Development of the Generalized Connectivity-Based Hierarchy
2011
·
Raghunath O. Ramabhadran
, Krishnan Raghavachari
·
Journal of Chemical Theory and Computation
·
106
Extrapolation to the Gold-Standard in Quantum Chemistry: Computationally Efficient and Accurate CCSD(T) Energies for Large Molecules Using an Automated Thermochemical Hierarchy
2013
·
Raghunath O. Ramabhadran
, Krishnan Raghavachari
·
Journal of Chemical Theory and Computation
·
98
Improving Physical Properties via CH Oxidation: Chemical and Enzymatic Approaches
2014
·
Quentin Michaudel
, Guillaume Journot
, et al.
·
Angewandte Chemie International Edition
·
93
PDF
Two levels of conformational pre-organization consolidate strong CH hydrogen bonds in chloride–triazolophane complexes
2011
·
Yuran Hua
, Raghunath O. Ramabhadran
, et al.
·
Chemical Communications
·
63
Polarized Naphthalimide CH Donors Enhance Cl– Binding within an Aryl-Triazole Receptor
2011
·
Kevin P. McDonald
, Raghunath O. Ramabhadran
, et al.
·
Organic Letters
·
60
An Overlooked yet Ubiquitous Fluoride Congenitor: Binding Bifluoride in Triazolophanes Using Computer-Aided Design
2014
·
Raghunath O. Ramabhadran
, Yun Liu
, et al.
·
Journal of the American Chemical Society
·
54
Connectivity-Based Hierarchy for Theoretical Thermochemistry: Assessment Using Wave Function-Based Methods
2012
·
Raghunath O. Ramabhadran
, Krishnan Raghavachari
·
The Journal of Physical Chemistry A
·
50
From Atomic to Molecular Anions: A Neutral Receptor Captures Cyanide Using Strong CH Hydrogen Bonds
2011
·
Raghunath O. Ramabhadran
, Yuran Hua
, et al.
·
Chemistry - A European Journal
·
45
The Successful Merger of Theoretical Thermochemistry with Fragment-Based Methods in Quantum Chemistry
2014
·
Raghunath O. Ramabhadran
, Krishnan Raghavachari
·
Accounts of Chemical Research
·
41
New Insights on Photocatalytic H2 Liberation from Water Using Transition-Metal Oxides: Lessons from Cluster Models of Molybdenum and Tungsten Oxides
2013
·
Raghunath O. Ramabhadran
, Jennifer E. Mann
, et al.
·
Journal of the American Chemical Society
·
41
Supersaturated “water-in-salt” hybrid electrolyte towards building high voltage Na-ion capacitors with wide temperatures operation
2020
·
Palanichamy Sennu
, Rodney Chua
, et al.
·
Journal of Power Sources
·
39
Application of the Generalized Connectivity-Based Hierarchy to Biomonomers: Enthalpies of Formation of Cysteine and Methionine
2013
·
Raghunath O. Ramabhadran
, Arkajyoti Sengupta
, et al.
·
The Journal of Physical Chemistry A
·
27
C vs N: Which End of the Cyanide Anion Is a Better Hydrogen Bond Acceptor?
2014
·
Raghunath O. Ramabhadran
, Yuran Hua
, et al.
·
The Journal of Physical Chemistry A
·
24
How an early or late transition state impacts the stereoselectivity of tetrahydropyran formation by intramolecular oxa-Michael addition
2019
·
Dániel Csókás
, Annabel Xuan Ying Ho
, et al.
·
Organic & Biomolecular Chemistry
·
23
PDF
Metal-Ion- and Hydrogen-Bond-Mediated Interstellar Prebiotic Chemistry: The First Step in the Formose Reaction
2017
·
Sorakayala Thripati
, Raghunath O. Ramabhadran
·
The Journal of Physical Chemistry A
·
23
Proton Hop Paving the Way for Hydroxyl Migration: Theoretical Elucidation of Fluxionality in Transition-Metal Oxide Clusters
2010
·
Raghunath O. Ramabhadran
, Nicholas J. Mayhall
, et al.
·
The Journal of Physical Chemistry Letters
·
21
Weak Interactions in Interstellar Chemistry: How Do Open Shell Molecules Interact with Closed Shell Molecules?
2019
·
K. Gopalsamy
, Sorakayala Thripati
, et al.
·
ACS Earth and Space Chemistry
·
18
Improving Physical Properties via CH Oxidation: Chemical and Enzymatic Approaches
2014
·
Quentin Michaudel
, Guillaume Journot
, et al.
·
Angewandte Chemie
·
16
Pathways for the Formation of Formamide, a Prebiotic Biomonomer: Metal-Ions in Interstellar Gas-Phase Chemistry
2021
·
Sorakayala Thripati
, Raghunath O. Ramabhadran
·
The Journal of Physical Chemistry A
·
15
Accurate and Computationally Efficient Prediction of Thermochemical Properties of Biomolecules Using the Generalized Connectivity-Based Hierarchy
2014
·
Arkajyoti Sengupta
, Raghunath O. Ramabhadran
, et al.
·
The Journal of Physical Chemistry B
·
15
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
2020
·
Roshni W. Pereira
, Raghunath O. Ramabhadran
·
The Journal of Physical Chemistry A
·
13
Fluxionality in the Chemical Reactions of Transition Metal Oxide Clusters: The Role of Metal, Spin State, and the Reactant Molecule
2012
·
Raghunath O. Ramabhadran
, Edwin L. Becher
, et al.
·
The Journal of Physical Chemistry A
·
13
Molecular growth of PANH via intermolecular Coulombic decay
2023
·
Saroj Barik
, Nihar Ranjan Behera
, et al.
·
Science Advances
·
10
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Works count:
67
Citation count:
1,216
H-index:
18
I10-index:
26
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