Sailaja Krishnamurty

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Sourav PalVerified email at splunk.com
Ashakiran MaibamACSIR-RMIT PhD student, National Chemical Laboratory - RMIT UniversityVerified email at ncl.res.in
Pragnya Paramita SamalSenior Research Fellow, National Chemical LaboratoryVerified email at ncl.res.in
Mohammed Azeezulla NazrullaLaboratory of Electrocatalysis, Department of Materials Chemistry, National Institute of ChemistryVerified email at manipal.edu
Manzoor Ahmad DarAssistant Professor, Department of Chemistry, Islamic University of Science and TechnologyVerified email at islamicuniversity.edu.in
Krati JoshiPh.DVerified email at iisertirupati.ac.in
Ram K RoyProfessor, Department of Chemistry, BITS-PILANI, PILANI, Rajasthan, IndiaVerified email at pilani.bits-pilani.ac.in
Kavita JoshiCSIR-NCLVerified email at ncl.res.in
Chandrodai Pratap SinghPhD, CSIR-NCL,PUNEVerified email at ncl.res.in
Vineesh Thazhe VeettilSenior R&D ScientistVerified email at battolysersystems.com
Kanala PhaniCentral electrochemical Research InstituteVerified email at cecri.res.in
beena raiTata research development and design centreVerified email at tcs.com
Ashok ShuklaProfessor of Materials ElectrochemistryVerified email at sscu.iisc.ernet.in
Dennis R. SalahubProfessor Emeritus of Chemistry, University of CalgaryVerified email at ucalgary.ca
Tzonka MinevaInstitut Charles Gerhardt Montpellier, UMR5253 CNRS/ENSCM/UMVerified email at enscm.fr
Ghazal Shafai ErfaniMedical Physics Resident at Emory UniversityVerified email at emory.edu
Thillai Govindaraja SenthamaraikannanPost Doctoral Researcher in Chungbuk National UniversityVerified email at ncl.res.in
Sreekanth NarayanaruAssistant Professor (Research)Verified email at m.titech.ac.jp
Susanta DasResearch Associate Staff at Cleveland ClinicVerified email at ccf.org
Ambarish Kumar SinghPostdoc at University of Miami, USA. PhD from CSIR - National Chemical Laboratory Pune, IndiaVerified email at miami.edu

Sailaja Krishnamurty

National Chemical Laboratory (CSIR-NCL)

Verified email at ncl.res.in - Homepage

computational design of catalysts separation materials and nanomaterials


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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	440	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	283	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	176	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	133	2002
Mulliken population analysis based evaluation of condensed Fukui function indices using fractional molecular charge RK Roy, K Hirao, S Krishnamurthy, S Pal Journal of chemical physics 115 (7), 2901-2907, 2001	121	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	109	2002
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), 2007	73	2007
“Magic melters” have geometrical origin K Joshi, S Krishnamurty, DG Kanhere Physical review letters 96 (13), 135703, 2006	71	2006
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	69	2015
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	67	2019
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	64	1997
Understanding the Reactivity Properties of Au_n (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	60	2010
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	57	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	56	2000
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	53	2010
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	52	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	51	2008
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	45	2014
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	44	2007
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

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