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Sandhya Rai
Sandhya Rai
Researcher at Shell Technology Center, Bengaluru
Verified email at shell.com - Homepage
Title
Cited by
Cited by
Year
Understanding the Role of Atomic Ordering in the Crystal Structures of NixSny toward Efficient Vapor Phase Furfural Hydrogenation
VS Marakatti, N Arora, S Rai, SC Sarma, SC Peter
ACS sustainable chemistry & engineering 6 (6), 7325-7338, 2018
552018
A theoretical study on interaction of proline with gold cluster
S Rai, NV Suresh Kumar, H Singh
Bulletin of Materials Science 35, 291-295, 2012
412012
Electronic structure theory based study of proline interacting with gold nano clusters
S Rai, H Singh
Journal of molecular modeling 19, 4099-4109, 2013
202013
Ability of density functional theory methods to accurately model the reaction energy pathways of the oxidation of CO on gold cluster: A benchmark study
S Gurtu, S Rai, M Ehara, UD Priyakumar
Theoretical Chemistry Accounts 135, 1-12, 2016
142016
Binding to gold nanoclusters alters the hydrogen bonding interactions and electronic properties of canonical and size-expanded DNA base pairs
S Rai, H Singh, UD Priyakumar
RSC Advances 5 (61), 49408-49419, 2015
112015
Nucleobases tagged to gold nanoclusters cause a mechanistic crossover in the oxidation of CO
S Rai, M Ehara, UD Priyakumar
Physical Chemistry Chemical Physics 17 (37), 24275-24281, 2015
92015
Theoretical studies of Raman scattering properties of methylphosphine and methylamine adsorbed on gold clusters
S Bhardwaj, S Rai, TK Sau, H Singh
Vibrational Spectroscopy 76, 38-47, 2015
72015
Activation of CO 2 and CH 4 on MgO surfaces: mechanistic insights from first-principles theory
MA Manae, L Dheer, S Rai, S Shetty, UV Waghmare
Physical Chemistry Chemical Physics 24 (3), 1415-1423, 2022
62022
Modulation of structural, energetic and electronic properties of DNA and size-expanded DNA bases upon binding to gold clusters
S Rai, S Ranjan, H Singh, UD Priyakumar
RSC advances 4 (56), 29642-29651, 2014
62014
Tailoring Ca2Mn2O5 Based Perovskites for Improved Oxygen Evolution Reaction
N Bothra, S Rai, SK Pati
ACS Applied Energy Materials 1 (11), 6312-6319, 2018
52018
Dopant induced modulation in the structure and electronic properties of au 10 cluster
LS Sidhu, A Halder, S Rai
RSC advances 6 (90), 87115-87123, 2016
32016
Molecular dynamics based antimicrobial activity descriptors for synthetic cationic peptides
MR Biswal, S Rai, MK Prakash
Journal of Chemical Sciences 131, 1-5, 2019
22019
Comparative study of the efficiency of Au, Ag, Pd and Pt based mono and bimetallic trimer clusters for the CO oxidation reaction
S Gurtu, S Rai, U Priyakumar
J. Indian Chem. Soc 96, 921-931, 2019
12019
Computational Modelling of Charge Transport through Molecular Devices
S Rai, S Balasubramanian, SK Pati
Advances in the Chemistry and Physics of Materials: Overview of Selected …, 2020
2020
MODELLING OF CORROSION INHIBITION IN OIL FIELD APPLICATIONS: ACHIEVEMENTS AND GAPS-A REVIEW
A Sabhapondit, S Rai, S Shetty
Electronic Supplementary Information For Nucleobases Tagged to Gold Nanocluster Cause a Mechanistic Crossover in the Oxidation of CO
S Rai, M Ehara, UD Priyakumar
Conjugates
M Ray, S Chatterjee, S Rai, H Singh
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Articles 1–17