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Dr. chiranjib majumder
Dr. chiranjib majumder
Scientist, BARC
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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
3272009
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
1652010
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
1392006
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
1052001
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
942007
M@ Si16, M= Ti, Zr, Hf: ¥ð conjugation, ionization potentials and electron affinities
V Kumar, C Majumder, Y Kawazoe
Chemical physics letters 363 (3-4), 319-322, 2002
872002
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
832006
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
812017
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
762011
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
762005
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
742002
Molecular scale rectifier: theoretical study
C Majumder, H Mizuseki, Y Kawazoe
The Journal of Physical Chemistry A 105 (41), 9454-9459, 2001
692001
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
672004
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
662015
CO oxidation by BN− fullerene cage: effect of impurity on the chemical reactivity
S Nigam, C Majumder
ACS nano 2 (7), 1422-1428, 2008
622008
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
582004
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
572006
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
552004
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
532018
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
522012
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