| Electronically Excited States in Poly(p-phenylenevinylene): Vertical Excitations and Torsional Potentials from High-Level Ab Initio Calculations AN Panda, F Plasser, AJA Aquino, I Burghardt, H Lischka The Journal of Physical Chemistry A 117 (10), 2181-2189, 2013 | 75 | 2013 |
| Computational investigation of charge injection and transport properties of a series of thiophene–pyrrole based oligo-azomethines H Sahu, AN Panda Physical Chemistry Chemical Physics 16 (18), 8563-8574, 2014 | 69 | 2014 |
| Time-dependent quantum mechanical wave packet study of the He+ H2+ (v, j)→ HeH++ H reaction AN Panda, N Sathyamurthy The Journal of chemical physics 122 (5), 2005 | 49 | 2005 |
| Dynamics of collisions: A time-dependent quantum mechanical investigation on a new ab initio potential energy surface AN Panda, N Sathyamurthy The Journal of chemical physics 121 (19), 9343-9351, 2004 | 49 | 2004 |
| Rovibrational energy transfer in ortho-H2+ para-H2 collisions AN Panda, F Otto, F Gatti, HD Meyer The Journal of chemical physics 127 (11), 2007 | 45 | 2007 |
| Computational study on the effect of substituents on the structural and electronic properties of thiophene–pyrrole-based π-conjugated oligomers H Sahu, AN Panda Macromolecules 46 (3), 844-855, 2013 | 42 | 2013 |
| Reaction probabilities and reaction cross sections for three-dimensional collisions: A time-dependent quantum mechanical study B Maiti, C Kalyanaraman, AN Panda, N Sathyamurthy The Journal of Chemical Physics 117 (21), 9719-9726, 2002 | 38 | 2002 |
| Bound and Quasibound States of He2H+ and He2D+ AN Panda, N Sathyamurthy The Journal of Physical Chemistry A 107 (37), 7125-7131, 2003 | 34 | 2003 |
| Mimicking the heteroleptic dyes for an efficient 1D-ZnO based dye-sensitized solar cell using the homoleptic ruthenium (II) dipyridophenazine complex as a photosensitizer D Barpuzary, A Banik, AN Panda, M Qureshi The Journal of Physical Chemistry C 119 (8), 3892-3902, 2015 | 31 | 2015 |
| Coherent excitation transfer driven by torsional dynamics: a model Hamiltonian for PPV type systems F Sterpone, R Martinazzo, AN Panda, I Burghardt Zeitschrift fuer Physikalische Chemie 225 (5), 541-551, 2011 | 28 | 2011 |
| Three Dimensional Quantum Dynamics of (H-, H2) and Its Isotopic Variants AN Panda, K Giri, N Sathyamurthy The Journal of Physical Chemistry A 109 (10), 2057-2061, 2005 | 28 | 2005 |
| Structure and optoelectronic properties of helical pyridine–furan, pyridine–pyrrole and pyridine–thiophene oligomers H Sahu, S Gupta, P Gaur, AN Panda Physical Chemistry Chemical Physics 17 (32), 20647-20657, 2015 | 24 | 2015 |
| Combination of plane wave packet and nearside–farside methods applied to the He+ H2+ reaction AN Panda, SC Althorpe Chemical physics letters 419 (1-3), 245-249, 2006 | 23 | 2006 |
| Assessing the performance of DFT functionals for excited-state properties of pyridine-thiophene oligomers B Mahato, AN Panda The Journal of Physical Chemistry A 125 (1), 115-125, 2020 | 22 | 2020 |
| Scattering study of the Ne+ NeH+ (v= 0, j= 0)→ NeH++ Ne reaction on an ab initio based analytical potential energy surface D Koner, L Barrios, T González-Lezana, AN Panda The Journal of chemical physics 144 (3), 2016 | 22 | 2016 |
| Wave packet and statistical quantum calculations for the He+ NeH+→ HeH++ Ne reaction on the ground electronic state D Koner, L Barrios, T González-Lezana, AN Panda The Journal of Chemical Physics 141 (11), 2014 | 22 | 2014 |
| Multiconfiguration time-dependent Hartree approach to study the OH+ H2 reaction S Bhattacharya, AN Panda, HD Meyer The Journal of chemical physics 132 (21), 2010 | 22 | 2010 |
| A state-to-state dynamical study of the Br+ H 2 reaction: comparison of quantum and classical trajectory results AN Panda, D Herráez-Aguilar, PG Jambrina, J Aldegunde, SC Althorpe, ... Physical Chemistry Chemical Physics 14 (37), 13067-13075, 2012 | 21 | 2012 |
| Time-dependent quantum dynamics of the He+ H+ He reaction S Bhattacharya, AN Panda Journal of Physics B: Atomic, Molecular and Optical Physics 42 (8), 085201, 2009 | 21 | 2009 |
| State-to-State Dynamics of the Ne + HeH+ (v = 0, j = 0) → NeH+(v′, j′) + He Reaction D Koner, L Barrios, T González-Lezana, AN Panda The Journal of Physical Chemistry A 120 (27), 4731-4741, 2016 | 20 | 2016 |
