| Quantum corrections to classical time-correlation functions: Hydrogen bonding and anharmonic floppy modes R Ramırez, T López-Ciudad, P Kumar P, D Marx The Journal of Chemical Physics 121 (9), 3973-3983, 2004 | 350* | 2004 |
| Ionic conduction in the solid state PP Kumar, S Yashonath Journal of Chemical Sciences 118, 135-154, 2006 | 312 | 2006 |
| Understanding the infrared spectrum of bare CH5+ O Asvany, P Padma Kumar, B Redlich, I Hegemann, S Schlemmer, ... Science 309 (5738), 1219-1222, 2005 | 231 | 2005 |
| Hydration, swelling, interlayer structure, and hydrogen bonding in organolayered double hydroxides: Insights from molecular dynamics simulation of citrate-intercalated hydrotalcite P Padma Kumar, AG Kalinichev, RJ Kirkpatrick The Journal of Physical Chemistry B 110 (9), 3841-3844, 2006 | 115 | 2006 |
| Hydrogen-bonding structure and dynamics of aqueous carbonate species from Car− Parrinello molecular dynamics simulations PP Kumar, AG Kalinichev, RJ Kirkpatrick The Journal of Physical Chemistry B 113 (3), 794-802, 2009 | 108 | 2009 |
| Molecular dynamics simulation of the energetics and structure of layered double hydroxides intercalated with carboxylic acids PP Kumar, AG Kalinichev, RJ Kirkpatrick The Journal of Physical Chemistry C 111 (36), 13517-13523, 2007 | 94 | 2007 |
| Understanding hydrogen scrambling and infrared spectrum of bare CH 5+ based on ab initio simulations P Kumar, D Marx Physical Chemistry Chemical Physics 8 (5), 573-586, 2006 | 82 | 2006 |
| Molecular dynamics computer simulations of the effects of hydrogen bonding on the properties of layered double hydroxides intercalated with organic acids AG Kalinichev, P Padma Kumar, R James Kirkpatrick Philosophical Magazine 90 (17-18), 2475-2488, 2010 | 65 | 2010 |
| Dissociation of carbonic acid: Gas phase energetics and mechanism from ab initio metadynamics simulations PP Kumar, AG Kalinichev, RJ Kirkpatrick The Journal of chemical physics 126 (20), 2007 | 64 | 2007 |
| Structure, Conductivity, and Ionic Motion in Na1+xZr2SixP3-xO12: A Simulation Study PP Kumar, S Yashonath The Journal of Physical Chemistry B 106 (28), 7081-7089, 2002 | 49 | 2002 |
| Role of Ion–Ion Correlations on Fast Ion Transport: Molecular Dynamics Simulation of Na2Ni2TeO6 K Sau, PP Kumar The Journal of Physical Chemistry C 119 (32), 18030-18037, 2015 | 47 | 2015 |
| Ion Transport in Na2M2TeO6: Insights from Molecular Dynamics Simulation K Sau, PP Kumar * J Phys Chem C 119 (4), 1651-1658, 2015 | 44 | 2015 |
| Influence of Si/P ordering on Na+ transport in NASICONs S Roy, PP Kumar Physical Chemistry Chemical Physics 15 (14), 4965-4969, 2013 | 37 | 2013 |
| Influence of Cationic ordering on ion transport in NASICONs: Molecular dynamics study S Roy, PP Kumar Solid State Ionics 253, 217-222, 2013 | 33 | 2013 |
| A Full Interionic Potential for Na1+ x Zr2Si x P3-x O12 Superionic Conductors PP Kumar, S Yashonath Journal of the American Chemical Society 124 (15), 3828-3829, 2002 | 26 | 2002 |
| Framework flexibility of sodium zirconium phosphate: role of disorder, and polyhedral distortions from Monte Carlo investigation S Roy, P Padma Kumar Journal of Materials Science 47, 4946-4954, 2012 | 24 | 2012 |
| Role of Framework Flexibility in Ion Transport: A Molecular Dynamics Study of LiM2IV(PO4)3 K Pramanik, K Sau, PP Kumar The Journal of Physical Chemistry C 124 (7), 4001-4009, 2020 | 20 | 2020 |
| Ion mobility and levitation effect: anomalous diffusion in Nasicon-type structure P Padma Kumar, S Yashonath The Journal of Physical Chemistry B 106 (13), 3443-3448, 2002 | 19 | 2002 |
| Lithium Ion Motion in LiZr2(PO4)3 P Padma Kumar, S Yashonath The Journal of Physical Chemistry B 105 (29), 6785-6791, 2001 | 18 | 2001 |
| Ab initio molecular dynamics investigation of structural, dynamic and spectroscopic aspects of Se (VI) species in the aqueous environment S Borah, PP Kumar Physical Chemistry Chemical Physics 18 (21), 14561-14568, 2016 | 9 | 2016 |
Andrey G. KalinichevSubatech (UMR 6457 - IMT Atlantique, Nantes Université, CNRS/IN2P3)Bestätigte E-Mail-Adresse bei subatech.in2p3.fr
