| Metallacyclocumulenes: a theoretical perspective on the structure, bonding, and reactivity S Roy, U Rosenthal, ED Jemmis Accounts of Chemical Research 47 (10), 2917-2930, 2014 | 71 | 2014 |
| Reactions of group 4 metallocene alkyne complexes with carbodiimides: experimental and theoretical studies of the structure and bonding of five-membered hetero-metallacycloallenes K Kaleta, M Ruhmann, O Theilmann, T Beweries, S Roy, P Arndt, ... Journal of the American Chemical Society 133 (14), 5463-5473, 2011 | 71 | 2011 |
| Are metallocene− acetylene (M= Ti, Zr, Hf) complexes aromatic metallacyclopropenes? ED Jemmis, S Roy, VV Burlakov, H Jiao, M Klahn, S Hansen, U Rosenthal Organometallics 29 (1), 76-81, 2010 | 59 | 2010 |
| Cobalt (II) complexes of terpyridine bases as photochemotherapeutic agents showing cellular uptake and photocytotoxicity in visible light S Roy, S Roy, S Saha, R Majumdar, RR Dighe, ED Jemmis, ... Dalton Trans. 40 (6), 1233-1242, 2010 | 54 | 2010 |
| Reactions of Titanocene Bis (trimethylsilyl) acetylene Complexes with Carbodiimides–An Experimental and Theoretical Study of Complexation vs. C− N Bond Activation M Haehnel, M Ruhmann, S Roy, T Beweries, P Arndt, A Spannenberg, ... Journal of the American Chemical Society, 2012 | 53 | 2012 |
| Theoretical Evidence of the Stabilization of an Unusual Four‐Membered Metallacycloallene by a Transition‐Metal Fragment S Roy, ED Jemmis, A Schulz, T Beweries, U Rosenthal Angewandte Chemie International Edition 22 (51), 5347-5350, 2012 | 42 | 2012 |
| Theoretical studies on the structure and bonding of metallacyclocumulenes,-cyclopentynes, and-cycloallenes S Roy, ED Jemmis, M Ruhmann, A Schulz, K Kaleta, T Beweries, ... Organometallics 30 (10), 2670-2679, 2011 | 40 | 2011 |
| Synergistic Substrate and Oxygen Activation in Salicylate Dioxygenase Revealed by QM/MM Simulations S Roy, J Kästner Angew. Chem. Int. Ed. 55 (3), 1168-1172, 2016 | 38 | 2016 |
| Catalytic mechanism of salicylate dioxygenase: QM/MM simulations reveal the origin of unexpected regioselectivity of the ring cleavage S Roy, J Kästner Chemistry–A European Journal 23 (37), 8949-8962, 2017 | 20 | 2017 |
| Origin of the Non-Arrhenius Behavior of the Rates of Enzymatic Reactions S Roy, P Schopf, A Warshel J. Phys. Chem. B, 2017 | 18 | 2017 |
| Experimental and Theoretical Studies of Unusual Four‐Membered Metallacycles from Reactions of Group 4 Metallocene Bis (trimethylsilyl) acetylene Complexes with the … K Kaleta, M Ruhmann, O Theilmann, S Roy, T Beweries, P Arndt, ... European Journal of Inorganic Chemistry 2012 (4), 611-617, 2012 | 13 | 2012 |
| Unexpected mechanism for formal [2+ 2] cycloadditions of metallacyclocumulenes S Roy, ED Jemmis Current Science, 1249-1254, 2014 | 5 | 2014 |
| QM/MM‐Simulationen ergeben synergetische Substrat‐und Sauerstoffaktivierung in Salicylat‐Dioxygenase S Roy, J Kästner Angewandte Chemie 128 (3), 1182-1187, 2016 | 4 | 2016 |
| Non-Electrostatic Basis for an Artificial Metalloenzyme Catalysis A Mukherjee, S Roy bioRxiv, 2024.02. 27.582238, 2024 | | 2024 |
| Understanding the Structure, Bonding and Reactivity of Unsaturated Metallacycles: A Computational Study S Roy | | 2018 |
| MS46-O2 Synergistic'Substrate Activation'and'Oxygen Activation'in Salicylate Dioxygenase from QM/MM Simulations J Keastner, S Roy Foundations of Crystallography 72, s164, 2016 | | 2016 |
| Oxovanadium (IV) Complexes for Cellular Imaging and Photochemotherapeutic Applications B Banik, PK Sasmal, S Roy, AR Chakravarty, R Majumdar, RR Dighe JOURNAL OF BIOLOGICAL INORGANIC CHEMISTRY 19 (1), 2014 | | 2014 |
| The effect of cultural and environmental factors on berseem seed production. AK Chakravarty, AP Choudhari, SR Roy | | 1964 |
| Simulating Enzyme Reactions by QM/MM Methods S Roy | | |
Johannes KästnerUniversity of StuttgartVerified email at theochem.uni-stuttgart.de
