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
327 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
166 2010 Structure and bonding of Au 5 M (M= Na, Mg, Al, Si, P, and S) clusters C Majumder, AK Kandalam, P Jena
Physical Review B 74 (20), 205437, 2006
140 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
105 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
94 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 Structural and electronic properties of Au n (n= 2–10) clusters and their interactions with single S atoms: Ab initio molecular dynamics simulations C Majumder, SK Kulshreshtha
Physical Review B 73 (15), 155427, 2006
84 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
82 2017 Third conformer of graphane: A first-principles density functional theory study A Bhattacharya, S Bhattacharya, C Majumder, GP Das
Physical Review B 83 (3), 033404, 2011
76 2011 Isomers of small Pb n clusters (n= 2–15): Geometric and electronic structures based on ab initio molecular dynamics simulations C Rajesh, C Majumder, MGR Rajan, SK Kulshreshtha
Physical Review B 72 (23), 235411, 2005
76 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
74 2002 Molecular scale rectifier: theoretical study C Majumder, H Mizuseki, Y Kawazoe
The Journal of Physical Chemistry A 105 (41), 9454-9459, 2001
69 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
67 2004 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
66 2015 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 Impurity-doped Si 10 cluster: Understanding the structural and electronic properties from first-principles calculations C Majumder, SK Kulshreshtha
Physical Review B 70 (24), 245426, 2004
58 2004 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
57 2006 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 Bimetallic Ag‐Pt sub‐nanometer supported clusters as highly efficient and robust oxidation catalysts FR Negreiros, A Halder, C Yin, A Singh, G Barcaro, L Sementa, EC Tyo, ...
Angewandte Chemie International Edition 57 (5), 1209-1213, 2018
53 2018 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
53 2012