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
333 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
170 2010 Structure and bonding of C Majumder, AK Kandalam, P Jena
Physical Review B—Condensed Matter and Materials Physics 74 (20), 205437, 2006
155 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
96 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
88 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 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
85 2017 Structural and electronic properties of Ab initio molecular dynamics simulations C Majumder, SK Kulshreshtha
Physical Review B—Condensed Matter and Materials Physics 73 (15), 155427, 2006
85 2006 Isomers of small 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
76 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
71 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 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
65 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 C Majumder
Physical Review B—Condensed Matter and Materials Physics 75 (23), 235409, 2007
59 2007 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
57 2012 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 C Majumder, SK Kulshreshtha
Physical Review B—Condensed Matter and Materials Physics 70 (24), 245426, 2004
56 2004 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
56 2004 