| Local softness and hardness based reactivity descriptors for predicting intra-and intermolecular reactivity sequences: carbonyl compounds RK Roy, S Krishnamurti, P Geerlings, S Pal The Journal of Physical Chemistry A 102 (21), 3746-3755, 1998 | 400 | 1998 |
| Metal-free boron-doped graphene for selective electroreduction of carbon dioxide to formic acid/formate N Sreekanth, MA Nazrulla, TV Vineesh, K Sailaja, KL Phani Chemical Communications 51 (89), 16061-16064, 2015 | 251 | 2015 |
| A Methanol-Tolerant Carbon-Supported Pt−Au Alloy Cathode Catalyst for Direct Methanol Fuel Cells and Its Evaluation by DFT AKS G. Selvarani, S. Vinod Selvaganesh, S The Journal of Physical Chemistry C 113 (17), 7461-7468, 2009 | 172 | 2009 |
| Molecular modeling of interactions of diphosphonic acid based surfactants with calcium minerals Pradip, B Rai, TK Rao, S Krishnamurthy, R Vetrivel, J Mielczarski, ... Langmuir 18 (3), 932-940, 2002 | 131 | 2002 |
| Mulliken population analysis based evaluation of condensed Fukui function indices using fractional molecular charge R Kinkar Roy, K Hirao, S Krishnamurty, S Pal The Journal of Chemical Physics 115 (7), 2901-2907, 2001 | 114 | 2001 |
| Molecular modeling of interactions of alkyl hydroxamates with calcium minerals B Rai, TK Rao, S Krishnamurthy, R Vetrivel, J Mielczarski, JM Cases Journal of colloid and interface science 256 (1), 106-113, 2002 | 104 | 2002 |
| “Magic melters” have geometrical origin K Joshi, S Krishnamurty, DG Kanhere Physical review letters 96 (13), 135703, 2006 | 71 | 2006 |
| Density functional investigation of the interaction of acetone with small gold clusters GS Shafai, S Shetty, S Krishnamurty, V Shah, DG Kanhere The Journal of chemical physics 126 (1), 014704, 2007 | 69 | 2007 |
| Synergistic effects of dopants on the spin density of catalytic active centres of N-doped fluorinated graphene for oxygen reduction reaction SA Thazhe Veettil Vineesh, Mohammad Azeezulla Nazrulla, Sailaja ... Applied Materials Today 1 (2), 74-79, 2015 | 64 | 2015 |
| The local hard− soft acid− base principle: a critical study S Krishnamurty, RK Roy, R Vetrivel, S Iwata, S Pal The Journal of Physical Chemistry A 101 (39), 7253-7257, 1997 | 63 | 1997 |
| Electro-oxidation of borohydride on rhodium, iridium, and rhodium–iridium bimetallic nanoparticles with implications to direct borohydride fuel cells V Kiran, T Ravikumar, NT Kalyanasundaram, S Krishnamurty, AK Shukla, ... Journal of The Electrochemical Society 157 (8), B1201, 2010 | 56 | 2010 |
| Understanding the Reactivity Properties of Aun (6 ≤ n ≤ 13) Clusters Using Density Functional Theory Based Reactivity Descriptors H Sekhar De, S Krishnamurty, S Pal The Journal of Physical Chemistry C 114 (14), 6690-6703, 2010 | 56 | 2010 |
| Intermolecular reactivity trends using the concept of group softness S Krishnamurty, S Pal The Journal of Physical Chemistry A 104 (32), 7639-7645, 2000 | 55 | 2000 |
| Synthesis, characterization, pharmacological and computational studies of 4, 5, 6, 7-tetrahydro-1, 3-benzothiazole incorporated azo dyes MR Maliyappa, J Keshavayya, NM Mallikarjuna, PM Krishna, ... Journal of Molecular Structure 1179, 630-641, 2019 | 53 | 2019 |
| Theoretical Modeling of a Copper Site in a Cu (II)− Y Zeolite D Berthomieu, S Krishnamurty, B Coq, G Delahay, A Goursot The Journal of Physical Chemistry B 105 (6), 1149-1156, 2001 | 50 | 2001 |
| Density functional theory-based conformational analysis of a phospholipid molecule (dimyristoyl phosphatidylcholine) S Krishnamurty, M Stefanov, T Mineva, S Bégu, JM Devoisselle, ... The Journal of Physical Chemistry B 112 (42), 13433-13442, 2008 | 48 | 2008 |
| Probing Lewis acidity and reactivity of Sn-and Ti-beta zeolite using industrially important moieties: A periodic density functional study BS Kulkarni, S Krishnamurty, S Pal Journal of Molecular Catalysis A: Chemical 329 (1-2), 36-43, 2010 | 47 | 2010 |
| Effect of silicon doping on the reactivity and catalytic activity of gold clusters D Manzoor, S Krishnamurty, S Pal The Journal of Physical Chemistry C 118 (14), 7501-7507, 2014 | 44 | 2014 |
| Size-sensitive melting characteristics of gallium clusters: Comparison of experiment and theory for and S Krishnamurty, S Chacko, DG Kanhere, GA Breaux, CM Neal, MF Jarrold Physical Review B 73 (4), 045406, 2006 | 44 | 2006 |
| Ab Initio Molecular Dynamical Investigation of the Finite Temperature Behavior of the Tetrahedral Au19 and Au20 Clusters S Krishnamurty, GS Shafai, DG Kanhere, B Soule de Bas, MJ Ford The Journal of Physical Chemistry A 111 (42), 10769-10775, 2007 | 42 | 2007 |
Mohammed Azeezulla NazrullaLaboratory of Electrocatalysis, Department of Materials Chemistry, National Institute of ChemistryVerified email at ki.si
