Many-body interaction in complex using density functional theory method A Chaudhari, PK Sahu, SL Lee
The Journal of chemical physics 120 (1), 170-174, 2004
89 2004 Optical discrimination of fluoride and cyanide ions by coumarin-salicylidene based chromofluorescent probes in organic and aqueous medium SK Padhan, MB Podh, PK Sahu, SN Sahu
Sensors and Actuators B: Chemical 255, 1376-1390, 2018
72 2018 Theoretical investigation for the hydrogen bond interaction in THF–water complex PK Sahu, A Chaudhari, SL Lee
Chemical Physics Letters 386 (4-6), 351-355, 2004
47 2004 Towards an information theory of complex networks: statistical methods and applications M Dehmer, F Emmert-Streib, A Mehler
Springer Science & Business Media, 2011
34 2011 Hydrogen-bond interaction in 1: 1 complexes of tetrahydrofuran with water, hydrogen fluoride, and ammonia: A theoretical study PK Sahu, SL Lee
The Journal of chemical physics 123 (4), 2005
34 2005 Effect of microsolvation on zwitterionic glycine: an ab initio and density functional theory study PK Sahu, SL Lee
Journal of Molecular Modeling 14 (5), 385-392, 2008
32 2008 Protocol for rational design of covalently interacting inhibitors TC Schmidt, A Welker, M Rieger, PK Sahu, CA Sotriffer, T Schirmeister, ...
ChemPhysChem 15 (15), 3226-3235, 2014
26 2014 Intermolecular orbital repulsion effect on the blue-shifted hydrogen bond SC Wang, PK Sahu, SL Lee
Chemical physics letters 406 (1-3), 143-147, 2005
22 2005 Gradient gravitational search: an efficient metaheuristic algorithm for global optimization T Dash, PK Sahu
Journal of computational chemistry 36 (14), 1060-1068, 2015
21 2015 A density functional theory study for the hydrogen-bonded nucleic acid base pair: Cytosine dimer PK Sahu, RK Mishra, SL Lee
The Journal of Physical Chemistry A 109 (12), 2887-2893, 2005
21 2005 Microsolvation effect on alanine: a many-body interaction study using ab initio method A Chaudhari, PK Sahu, SL Lee
Journal of Molecular Structure: THEOCHEM 683 (1-3), 115-119, 2004
20 2004 Solvent Effect on the Potential Energy Surfaces of the F– + CH3 CH2 Br Reaction L Satpathy, PK Sahu, PK Behera, BK Mishra
The Journal of Physical Chemistry A 122 (27), 5861-5869, 2018
18 2018 Hydrogen bonding interaction in sarcosine–water complex using ab initio and DFT method A Chaudhari, PK Sahu, SL Lee
International journal of quantum chemistry 101 (1), 97-103, 2005
17 2005 Triazole derived azo-azomethine dye as a new colorimetric anion chemosensor C Chatterjee, S Sethi, V Mukherjee, PK Sahu, N Behera
Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy 226, 117566, 2020
16 2020 Coumarin functionalized thiocarbonohydrazones as a new class of chromofluorescent receptors for selective detection of fluoride ion SN Sahu, SK Padhan, PK Sahu
RSC Advances 6 (93), 90322-90330, 2016
16 2016 Quantum Mechanical Calculations for the Misincorporation of Nucleotides Opposite Mutagenic 3,N 4 -Ethenocytosine V Srinivasadesikan, PK Sahu, SL Lee
The Journal of Physical Chemistry B 116 (36), 11173-11179, 2012
16 2012 Net-sign identity information index: a novel approach towards numerical characterization of chemical signed graph theory PK Sahu, SL Lee
Chemical Physics Letters 454 (1-3), 133-138, 2008
14 2008 Interaction of adenine adducts with thymine: A computational study PK Sahu, CW Kuo, SL Lee
The Journal of Physical Chemistry B 111 (11), 2991-2998, 2007
12 2007 Hydrogen‐bond interactions in THF–H2 O–HF: A theoretical study PK Sahu, SL Lee
International Journal of Quantum Chemistry 107 (10), 2015-2023, 2007
11 2007 Interaction of Serotonin and Fluoxetine: Toward Understanding the Importance of the Chirality of Fluoxetine (S form and R form) PK Sahu, CH Wang, SL Lee
The Journal of Physical Chemistry B 113 (43), 14529-14535, 2009
10 2009