π− π Interaction in Pyridine BK Mishra, N Sathyamurthy The Journal of Physical Chemistry A 109 (1), 6-8, 2005 | 162 | 2005 |
Tuning the C–H··· π interaction by different substitutions in benzene–acetylene complexes BK Mishra, S Karthikeyan, V Ramanathan Journal of Chemical Theory and Computation 8 (6), 1935-1942, 2012 | 92 | 2012 |
Influence of the substituents on the CH... π interaction: benzene–methane complex S Karthikeyan, V Ramanathan, BK Mishra The Journal of Physical Chemistry A 117 (30), 6687-6694, 2013 | 82 | 2013 |
Stacking and spreading interaction in N-heteroaromatic systems BK Mishra, JS Arey, N Sathyamurthy The Journal of Physical Chemistry A 114 (36), 9606-9616, 2010 | 72 | 2010 |
Molecular Mechanism of NDMA Formation from N,N-Dimethylsulfamide During Ozonation: Quantum Chemical Insights into a Bromide-Catalyzed Pathway D Trogolo, BK Mishra, MB Heeb, U von Gunten, JS Arey Environmental science & technology 49 (7), 4163-4175, 2015 | 68 | 2015 |
CH⋯ π and π⋯ π interaction in benzene–acetylene clusters M Majumder, BK Mishra, N Sathyamurthy Chemical Physics Letters 557, 59-65, 2013 | 47 | 2013 |
The Nature of Activated Non‐classical Hydrogen Bonds: A Case Study on Acetylcholinesterase–Ligand Complexes L Berg, BK Mishra, CD Andersson, F Ekström, A Linusson Chemistry–A European Journal 22 (8), 2672-2681, 2016 | 40 | 2016 |
van der Waals complexes of small molecules with benzenoid rings: influence of multipole moments on their mutual orientation BK Mishra, N Sathyamurthy The Journal of Physical Chemistry A 111 (11), 2139-2147, 2007 | 36 | 2007 |
Density functional theoretic studies of host–guest interaction in gas hydrates P Kumar, BK Mishra, N Sathyamurthy Computational and Theoretical Chemistry 1029, 26-32, 2014 | 31 | 2014 |
“Gold standard” coupled-cluster study of acetylene pentamers and hexamers via molecular tailoring approach AP Rahalkar, BK Mishra, V Ramanathan, SR Gadre Theoretical Chemistry Accounts 130, 491-500, 2011 | 31 | 2011 |
β-phenyl quenching of triplet excited ketones: How critical is the geometry for deactivation? S Samanta, BK Mishra, TCS Pace, N Sathyamurthy, C Bohne, JN Moorthy The Journal of Organic Chemistry 71 (12), 4453-4459, 2006 | 25 | 2006 |
Cation–π interaction: to stack or to spread BK Mishra, VK Bajpai, V Ramanathan, SR Gadre, N Sathyamurthy 1 Molecular Physics 106 (12-13), 1557-1566, 2008 | 23 | 2008 |
Stacking interaction in pyrazine dimer BK Mishra, N Sathyamurthy Journal of Theoretical and Computational Chemistry 5 (03), 609-619, 2006 | 21 | 2006 |
Effect of ammonia and formic acid on the CH 3 O+ O 2 reaction: a quantum chemical investigation A Kumar, S Mallick, BK Mishra, P Kumar Physical Chemistry Chemical Physics 22 (4), 2405-2413, 2020 | 20 | 2020 |
Influence of water on the CH 3 O+ O 2→ CH 2 O+ HO 2 reaction S Mallick, A Kumar, BK Mishra, P Kumar Physical Chemistry Chemical Physics 21 (28), 15734-15741, 2019 | 20 | 2019 |
C–H··· π interactions and the nature of the donor carbon atom BK Mishra, MM Deshmukh, R Venkatnarayan The Journal of Organic Chemistry 79 (18), 8599-8606, 2014 | 19 | 2014 |
Interaction of rare gas dimers in the confines of a carbon nanotube P Kumar, CN Ramachandran, BK Mishra, N Sathyamurthy Chemical Physics Letters 618, 42-45, 2015 | 18 | 2015 |
On the use of electronic descriptors for QSAR modelling of PCDDs, PCDFs and dioxin-like PCBs£ M Larsson, B Kumar Mishra, M Tysklind, A Linusson, PL Andersson SAR and QSAR in Environmental Research 24 (6), 461-479, 2013 | 12 | 2013 |
Improved estimates of host‐guest interaction energies for endohedral fullerenes containing rare gas atoms, small molecules, and cations A Saroj, V Ramanathan, B Kumar Mishra, AN Panda, N Sathyamurthy ChemPhysChem 23 (24), e202200413, 2022 | 9 | 2022 |
Substituents’ influence on the C–H···π interaction in the T-shaped benzene dimer BK Mishra, R Venkatnarayan Theoretical Chemistry Accounts 137 (5), 72, 2018 | 8 | 2018 |