Saumitra Saha
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Adenine tautomers: relative stabilities, ionization energies, and mismatch with cytosine
C Fonseca Guerra, FM Bickelhaupt, S Saha, F Wang
The Journal of Physical Chemistry A 110 (11), 4012-4020, 2006
First-principles molecular dynamics modeling of the LiCl–KCl molten salt system
A Bengtson, HO Nam, S Saha, R Sakidja, D Morgan
Computational materials science 83, 362-370, 2014
Coexistence of 1, 3-butadiene conformers in ionization energies and Dyson orbitals
S Saha, F Wang, CT Falzon, MJ Brunger
The Journal of chemical physics 123 (12), 124315, 2005
Temperature dependent lattice misfit and coherency of Al3X (X= Sc, Zr, Ti and Nb) particles in an Al matrix
S Saha, TZ Todorova, JW Zwanziger
Acta Materialia 89, 109-115, 2015
Understanding the patterns of antibiotic susceptibility of bacteria causing urinary tract infection in West Bengal, India
S Saha, S Nayak, I Bhattacharyya, S Saha, A Mandal, S Chakraborty, ...
Frontiers in microbiology 5, 463, 2014
The attachment of amino fragment to purine: inner-shell structures and spectra
S Saha, F Wang, JB MacNaughton, A Moewes, DP Chong
Journal of synchrotron radiation 15 (2), 151-157, 2008
Effect of positron–atom interactions on the annihilation gamma spectra of molecules
GFGCMS D G Green, S Saha, F Wang
New Journal of Physics 14, 035021, 2012
First-principles molecular dynamics modeling of the molten fluoride salt with Cr solute
HO Nam, A Bengtson, K Vörtler, S Saha, R Sakidja, D Morgan
Journal of Nuclear Materials 449 (1-3), 148-157, 2014
Effects of spin transition on diffusion of Fe2+ in ferropericlase in Earth's lower mantle
S Saha, A Bengtson, KL Crispin, JA Van Orman, D Morgan
Physical Review B 84 (18), 184102, 2011
An (e, 2e) coincidence study of formic acid monomer and dimer
KL Nixon, WD Lawrance, DB Jones, P Euripidies, S Saha, F Wang, ...
Chemical Physics Letters 451 (1-3), 18-24, 2008
Micro Nano Lett. Micro Nano Lett. 1, 23, 2006
A Thompson, S Saha, F Wang, T TSUCHIMOCHI, A NAKATA, ...
Bulletin of the Chemical Society of Japan 82 (2), 187-195, 2009
Intramolecular proton transfer in adenine imino tautomers
S Saha, F Wang, MJ Brunger
Molecular Simulation 32 (15), 1261-1270, 2006
Calculation of gamma spectra for positron annihilation on molecules
DG Green, S Saha, F Wang, GF Gribakin, CM Surko
Materials Science Forum 666, 21-24, 2011
Outer valence orbital response to proton positions in prototropic tautomers of adenine
S Saha, F Wang, CF Guerra, FM Bickelhaupt
Journal of Computational Methods in Sciences and Engineering 6 (5-6), 251-267, 2006
Diffusion of transition metals in periclase by experiment and first-principles, with implications for core–mantle equilibration during metal percolation
KL Crispin, S Saha, D Morgan, JA Van Orman
Earth and Planetary Science Letters 357, 42-53, 2012
The effect of the aliphatic carboxylate linkers on the electronic structures, chemical bonding and optical properties of the uranium-based metal–organic frameworks
S Saha, U Becker
RSC Advances 5 (34), 26735-26748, 2015
Effect of anomalous compressibility on Fe diffusion in ferropericlase throughout the spin crossover in the lower mantle
S Saha, A Bengtson, D Morgan
Earth and Planetary Science Letters 362, 1-5, 2013
NK spectra of adenine amino tautomers
S Saha, F Wang
Journal of Physics: Conference Series 185 (1), 012040, 2009
Elastic properties of ternary (Alx, Mg1− x) Sc random alloys from first principles methods
S Saha, JW Zwanziger
Journal of alloys and compounds 610, 138-142, 2014
Density functional study on core ionization spectra of cytidine and its fragments
A Thompson, S Saha, F Wang, T Tsuchimochi, A Nakata, Y Imamura, ...
Bulletin of the Chemical Society of Japan 82 (2), 187-195, 2009
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