Interaction of Fluorouracil drug with boron nitride nanotube, Al doped boron nitride nanotube and BC2N nanotube MD Mohammadi, HY Abdullah, V Kalamse, A Chaudhari Computational and Theoretical Chemistry 1212, 113699, 2022 | 60 | 2022 |
Hydrogen Storage in C2H4V and C2H4V+ Organometallic Compounds V Kalamse, N Wadnerkar, A Chaudhari The Journal of Physical Chemistry C 114 (10), 4704-4709, 2010 | 60 | 2010 |
Bromochlorodifluoromethane interaction with pristine and doped BN nanosheets: A DFT study MD Mohammadi, HY Abdullah, V Kalamse, A Chaudhari Journal of Environmental Chemical Engineering 10 (5), 108367, 2022 | 48 | 2022 |
C2H2M (M = Ti, Li) complex: A possible hydrogen storage material V Kalamse, N Wadnerkar, A Deshmukh, A Chaudhari International Journal of Hydrogen Energy 37 (4), 3727-3732, 2012 | 44 | 2012 |
Adsorption of alkali and alkaline earth ions on nanocages using density functional theory MD Mohammadi, HY Abdullah, V Kalamse, A Chaudhari Computational and Theoretical Chemistry 1204, 113391, 2021 | 43 | 2021 |
Interaction of halomethane CH3Z (Z= F, Cl, Br) with X12Y12 (X= B, Al, Ga & Y= N, P, As) nanocages MD Mohammadi, HY Abdullah, VG Kalamse, A Chaudhari Computational and Theoretical Chemistry 1208, 113544, 2022 | 38 | 2022 |
VC3H3 organometallic compound: A possible hydrogen storage material N Wadnerkar, V Kalamse, A Chaudhari International Journal of Hydrogen Energy 36, 664-670, 2010 | 38 | 2010 |
Interaction of molecular hydrogen with Ni doped ethylene and acetylene complex V Kalamse, N Wadnerkar, A Deshmukh, A Chaudhari International Journal of Hydrogen Energy 37, 5114-5121, 2012 | 37 | 2012 |
Multi-functionalized naphthalene complexes for hydrogen storage V Kalamse, N Wadnerkar, A Chaudhari Energy The International Jounral 49, 469-474, 2013 | 34 | 2013 |
Hydrogen uptake capacity of C2H4Sc and its ions: A density functional study N Wadnerkar, V Kalamse, A Chaudhari Journal of computational chemistry 31 (8), 1656-1661, 2010 | 34 | 2010 |
Computational study of 5d transition metal mononitrides and monoborides using density functional method V Kalamse, S Gaikwad, A Chaudhari Bulletin of Materials Science 33, 233-238, 2010 | 32 | 2010 |
Hydrogen adsorption on Ce-ethylene complex using quantum chemical methods P Tavhare, V Kalamse, R Krishna, E Titus, A Chaudhari International Journal of Hydrogen Energy 41 (27), 11730-11735, 2016 | 30 | 2016 |
Higher hydrogen uptake capacity of C2H4Ti+ than C2H4Ti: a quantum chemical study KVCA Wadnerkar Nitin Theoretical Chemistry Accounts 127 (4), 285-292, 2010 | 30 | 2010 |
Vibrational spectra of Ti: C2H4 (nH2) and Ti: C2H4 (nD2)(n= 1–5) complexes and the equilibrium isotope effect: calculations and experiment N Wadnerkar, V Kalamse, AB Phillips, BS Shivaram, A Chaudhari international journal of hydrogen energy 36 (16), 9727-9732, 2011 | 29 | 2011 |
Interaction of molecular hydrogen with alkali and transition metal-doped acetylene complexes P Tavhare, V Kalamse, R Bhosale, A Chaudhari Structural Chemistry 26, 823-829, 2015 | 22 | 2015 |
Can ionization induce an enhancement of hydrogen storage in Ti2-C2H4 complex? N Wadnerkar, VG Kalamse, A Chaudhari RSC Advances 2, 8497-8501, 2012 | 21 | 2012 |
Improved H2 uptake capacity of transition metal doped benzene by boron substitution A Deshmukh, R Konda, VG Kalamse, A Chaudhari RSC Advances 6, 47033-47042, 2016 | 19 | 2016 |
Hydrogen adsorption on C 3 H 3–TM (TM= Sc, Ti) organometallic compounds N Wadnerkar, V Kalamse, A Chaudhari Structural Chemistry 24, 369-374, 2013 | 19 | 2013 |
Verification of DFT‐predicted hydrogen storage capacity of VC3H3 complex using molecular dynamics simulations N Wadnerkar, V Kalamse, SL Lee, A Chaudhari Journal of Computational Chemistry 33, 170-174, 2012 | 17 | 2012 |
Boron substituted and un-substituted aromatic complexes as hydrogen storage media V Kalamse, R Krishna, E Titus, A Chaudhari International Journal of Hydrogen Energy 41 (27), 11723-11729, 2016 | 14 | 2016 |