| A theoretical study on the interaction of aromatic amino acids with graphene and single walled carbon nanotube C Rajesh, C Majumder, H Mizuseki, Y Kawazoe The Journal of chemical physics 130 (12), 2009 | 331 | 2009 |
| Transition-metal decoration enhanced room-temperature hydrogen storage in a defect-modulated graphene sheet A Bhattacharya, S Bhattacharya, C Majumder, GP Das The Journal of Physical Chemistry C 114 (22), 10297-10301, 2010 | 168 | 2010 |
| Structure and bonding of (, Mg, Al, Si, P, and S) clusters C Majumder, AK Kandalam, P Jena Physical Review B—Condensed Matter and Materials Physics 74 (20), 205437, 2006 | 154 | 2006 |
| Small clusters of tin: Atomic structures, energetics, and fragmentation behavior C Majumder, V Kumar, H Mizuseki, Y Kawazoe Physical Review B 64 (23), 233405, 2001 | 108 | 2001 |
| Growth pattern and bonding trends in Ptn (n= 2–13) clusters: Theoretical investigation based on first principle calculations K Bhattacharyya, C Majumder Chemical Physics Letters 446 (4-6), 374-379, 2007 | 95 | 2007 |
| M@ Si16, M= Ti, Zr, Hf: π conjugation, ionization potentials and electron affinities V Kumar, C Majumder, Y Kawazoe Chemical physics letters 363 (3-4), 319-322, 2002 | 87 | 2002 |
| Third conformer of graphane: A first-principles density functional theory study A Bhattacharya, S Bhattacharya, C Majumder, GP Das Physical Review B—Condensed Matter and Materials Physics 83 (3), 033404, 2011 | 86 | 2011 |
| Structural and electronic properties of clusters and their interactions with single S atoms: Ab initio molecular dynamics simulations C Majumder, SK Kulshreshtha Physical Review B—Condensed Matter and Materials Physics 73 (15), 155427, 2006 | 85 | 2006 |
| Alumina-supported sub-nanometer Pt 10 clusters: amorphization and role of the support material in a highly active CO oxidation catalyst C Yin, FR Negreiros, G Barcaro, A Beniya, L Sementa, EC Tyo, S Bartling, ... Journal of Materials Chemistry A 5 (10), 4923-4931, 2017 | 83 | 2017 |
| Isomers of small clusters : Geometric and electronic structures based on ab initio molecular dynamics simulations C Rajesh, C Majumder, MGR Rajan, SK Kulshreshtha Physical Review B—Condensed Matter and Materials Physics 72 (23), 235411, 2005 | 77 | 2005 |
| Structural investigation of thiophene thiol adsorption on Au nanoclusters: Influence of back bonds C Majumder, TM Briere, H Mizuseki, Y Kawazoe The Journal of chemical physics 117 (6), 2819-2822, 2002 | 75 | 2002 |
| Modulation of band gap by an applied electric field in silicene-based hetero-bilayers S Nigam, SK Gupta, C Majumder, R Pandey Physical Chemistry Chemical Physics 17 (17), 11324-11328, 2015 | 68 | 2015 |
| Molecular scale rectifier: theoretical study C Majumder, H Mizuseki, Y Kawazoe The Journal of Physical Chemistry A 105 (41), 9454-9459, 2001 | 68 | 2001 |
| Structural and electronic properties of and (n=2–13) clusters: Theoretical investigation based on ab initio molecular orbital theory S Nigam, C Majumder, SK Kulshreshtha The Journal of chemical physics 121 (16), 7756-7763, 2004 | 64 | 2004 |
| CO oxidation by BN− fullerene cage: effect of impurity on the chemical reactivity S Nigam, C Majumder ACS nano 2 (7), 1422-1428, 2008 | 62 | 2008 |
| Effect of Si adsorption on the atomic and electronic structure of clusters and the Au (111) surface: First-principles calculations C Majumder Physical Review B—Condensed Matter and Materials Physics 75 (23), 235409, 2007 | 59 | 2007 |
| Structural and electronic properties of Sin, Sin−, and PSin− 1 clusters (2⩽ n⩽ 13): Theoretical investigation based on ab initio molecular orbital theory S Nigam, C Majumder, SK Kulshreshtha The Journal of chemical physics 125 (7), 2006 | 56 | 2006 |
| Impurity-doped cluster: Understanding the structural and electronic properties from first-principles calculations C Majumder, SK Kulshreshtha Physical Review B—Condensed Matter and Materials Physics 70 (24), 245426, 2004 | 56 | 2004 |
| Structural, electronic and thermodynamic properties of ZrCo and ZrCoH3: A first-principles study D Chattaraj, SC Parida, S Dash, C Majumder International journal of hydrogen energy 37 (24), 18952-18958, 2012 | 55 | 2012 |
| Influence of Al substitution on the atomic and electronic structure of Si clusters by density functional theory and molecular dynamics simulations C Majumder, SK Kulshreshtha Physical Review B 69 (11), 115432, 2004 | 55 | 2004 |
