| 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 | 55 | 2018 |
| 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 | 41 | 2012 |
| Electronic structure theory based study of proline interacting with gold nano clusters S Rai, H Singh Journal of molecular modeling 19, 4099-4109, 2013 | 20 | 2013 |
| 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 | 15 | 2016 |
| 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 | 11 | 2015 |
| 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 | 9 | 2015 |
| 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 | 6 | 2022 |
| Tailoring Ca2Mn2O5 Based Perovskites for Improved Oxygen Evolution Reaction N Bothra, S Rai, SK Pati ACS Applied Energy Materials 1 (11), 6312-6319, 2018 | 6 | 2018 |
| 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 | 6 | 2015 |
| 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 | 6 | 2014 |
| 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 | 3 | 2016 |
| Molecular dynamics based antimicrobial activity descriptors for synthetic cationic peptides MR Biswal, S Rai, MK Prakash Journal of Chemical Sciences 131, 1-5, 2019 | 2 | 2019 |
| 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 | 1 | 2019 |
| 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 | | |
Masahiro EharaInstitute for Molecular Science, ProfessorBestätigte E-Mail-Adresse bei ims.ac.jp
