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Biswajit Saha
Biswajit Saha
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Carbonization in polyacrylonitrile (PAN) based carbon fibers studied by ReaxFF molecular dynamics simulations
B Saha, GC Schatz
The Journal of Physical Chemistry B 116 (15), 4684-4692, 2012
1532012
Energy levels and structural properties of compressed hydrogen atom under Debye screening
B Saha, PK Mukherjee, GHF Diercksen
Astronomy & Astrophysics 396 (1), 337-344, 2002
1362002
Extraordinary improvement of the graphitic structure of continuous carbon nanofibers templated with double wall carbon nanotubes
D Papkov, AM Beese, A Goponenko, Y Zou, M Naraghi, HD Espinosa, ...
ACS nano 7 (1), 126-142, 2013
862013
Understanding the surfaces of nanodiamonds
JT Paci, HB Man, B Saha, D Ho, GC Schatz
The Journal of Physical Chemistry C 117 (33), 17256-17267, 2013
792013
Variational calculations for the energy levels of confined two-electron atomic systems
B Saha, TK Mukherjee, PK Mukherjee, GHF Diercksen
Theoretical Chemistry Accounts 108 (5), 305-310, 2002
732002
Singly and doubly excited states of butadiene, acrolein, and glyoxal: Geometries and electronic spectra
B Saha, M Ehara, H Nakatsuji
The Journal of chemical physics 125 (1), 014316, 2006
682006
Be I isoelectronic ions embedded in hot plasma
B Saha, S Fritzsche
Physical Review E 73 (3), 036405, 2006
622006
Influence of dense plasma on the low-lying transitions in Be-like ions: relativistic multiconfiguration Dirac–Fock calculation
B Saha, S Fritzsche
Journal of Physics B: Atomic, Molecular and Optical Physics 40 (2), 259, 2007
612007
Quantum chemical molecular dynamics simulations of dynamic fullerene self-assembly in benzene combustion
B Saha, S Shindo, S Irle, K Morokuma
Acs Nano 3 (8), 2241-2257, 2009
522009
Hot Giant Fullerenes Eject and Capture C2 Molecules: QM/MD Simulations with Constant Density
B Saha, S Irle, K Morokuma
The Journal of Physical Chemistry C 115 (46), 22707-22716, 2011
512011
Electron affinity of positronium embedded in Debye plasma
B Saha, TK Mukherjee, PK Mukherjee
Chemical physics letters 373 (1-2), 218-222, 2003
502003
Multiscale simulation as a framework for the enhanced design of nanodiamond-polyethylenimine-based gene delivery
H Kim, HB Man, B Saha, AM Kopacz, OS Lee, GC Schatz, D Ho, WK Liu
The journal of physical chemistry letters 3 (24), 3791-3797, 2012
462012
Multi-step mechanism of carbonization in templated polyacrylonitrile derived fibers: ReaxFF model uncovers origins of graphite alignment
B Saha, A Furmanchuk, Y Dzenis, GC Schatz
Carbon 94, 694-704, 2015
452015
Relativistic effects in hydrogenlike atoms embedded in Debye plasmas
D Bielińska-Waż, J Karwowski, B Saha, PK Mukherjee
Physical Review E 69 (1), 016404, 2004
442004
Time-dependent perturbation calculations for transition properties of two-electron atoms under Debye plasma
B Saha, PK Mukherjee, D Bielińska-Wa̧ż, J Karwowski
Journal of Quantitative Spectroscopy and Radiative Transfer 78 (1), 131-137, 2003
372003
Investigation of the Electronic Spectra and Excited-State Geometries of Poly(para-phenylene vinylene) (PPV) and Poly(para-phenylene) (PP) by the Symmetry …
B Saha, M Ehara, H Nakatsuji
The Journal of Physical Chemistry A 111 (25), 5473-5481, 2007
352007
Formation mechanism of polycyclic aromatic hydrocarbons in benzene combustion: Quantum chemical molecular dynamics simulations
B Saha, S Irle, K Morokuma
The Journal of chemical physics 132 (22), 224303, 2010
322010
Spherically confined two-electron atoms immersed in Debye plasma
B Saha, PK Mukherjee, D Bielińska-Wa, J Karwowski
Journal of Quantitative Spectroscopy and Radiative Transfer 92 (1), 1-8, 2005
282005
Effect of Debye plasma on the structural properties of compressed positronium atom
B Saha, PK Mukherjee
Physics Letters A 302 (2-3), 105-109, 2002
282002
Atomistic mechanism of carbon nanostructure self-assembly as predicted by nonequilibrium QM/MD simulations
S Irle, AJ Page, B Saha, Y Wang, KRS Chandrakumar, Y Nishimoto, ...
Practical Aspects of Computational Chemistry II, 103-172, 2012
252012
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