Np incorporation into metal organic frameworks
Udo Becker , Saumitra Saha
2014
2008
An Electron Momentum Spectroscopy, Density Functional and Greens Function Theories study of the Outer Valence Electronic Structure of Bicyclo[2.2.1]heptane-2,5-dione
Rolf Gleiter , Michael Deleuze , Dave Winkler , Michael Brunger
Bulletin of the American Physical Society
2005
Co2+ diffusion in periclase
Katherine L. Crispin , James A. Van Orman , Saumitra Saha , Dane Morgan
2014
First-principles molecular dynamics modeling of the LiCl–KCl molten salt system
Amelia Bengtson , Hyo On Nam , Saumitra Saha , Ridwan Sakidja
Computational Materials Science 83 362 -370
98
2014
Effects of spin transition on diffusion of Fe2+in ferropericlase in Earth's lower mantle
Saumitra Saha , Amelia Bengtson , Katherine L. Crispin , James A. Van Orman
Physical Review B 84 ( 18) 184102
16
2011
Fluctuation X-ray diffraction reveals three-dimensional nanostructure and disorder in self-assembled lipid phases
Andrew V. Martin , Alexander Kozlov , Peter Berntsen , Francisco Gian Roque
Communications Materials 1 ( 1) 1 -8
12
2020
Elastic properties of ternary (Alx,Mg1−x)Sc random alloys from first principles methods
Saumitra Saha , J.W. Zwanziger
Journal of Alloys and Compounds 610 138 -142
5
2014
N-K spectra of adenine amino tautomers
Saumitra Saha , Feng Wang
Journal of Physics: Conference Series 185 ( 1) 012040
4
2009
Diffusion of transition metals in periclase by experiment and first-principles, with implications for core-mantle equilibration during metal percolation
Katherine L. Crispin , Saumitra Saha , Dane Morgan , James A. Van Orman
Earth and Planetary Science Letters 357 42 -53
6
2012
Effect of anomalous compressibility on Fe diffusion in ferropericlase throughout the spin crossover in the lower mantle
Saumitra Saha , Amelia Bengtson , Dane Morgan
Earth and Planetary Science Letters 362 1 -5
7
2013
The attachment of amino fragment to purine: inner-shell structures and spectra.
Saumitra Saha , Feng Wang , Janay B. MacNaughton , Alex Moewes
Journal of Synchrotron Radiation 15 ( 2) 151 -157
23
2008
Outer valence orbital response to proton positions in prototropic tautomers of adenine
Saumitra Saha , Feng Wang , Célia Fonseca Guerra , F. Matthias Bickelhaupt
Journal of Computational Methods in Sciences and Engineering archive 6 ( 5) 251 -267
3
2006
Temperature dependent lattice misfit and coherency of Al3X (X = Sc, Zr, Ti and Nb) particles in an Al matrix
Saumitra Saha , T.Z. Todorova , J.W. Zwanziger
Acta Materialia 89 109 -115
72
2015
Coexistence of 1,3-butadiene conformers in ionization energies and Dyson orbitals
Saumitra Saha , Feng Wang , Chantal T. Falzon , Michael J. Brunger
The Journal of Chemical Physics 123 ( 12) 124315
35
2005
A first principles study of energetics and electronic structural responses of uranium-based coordination polymers to Np incorporation
Saumitra Saha , Udo Becker
Radiochimica Acta 106 ( 1) 1 -13
2
2018
The effect of the aliphatic carboxylate linkers on the electronic structures, chemical bonding and optical properties of the uranium-based metal–organic frameworks
Saumitra Saha , Udo Becker
RSC Advances 5 ( 34) 26735 -26748
10
2015
Density Functional Study on Core Ionization Spectra of Cytidine and Its Fragments
Alexander Thompson , Saumitra Saha , Feng Wang , Takashi Tsuchimochi
Bulletin of the Chemical Society of Japan 82 ( 2) 187 -195
12
2009
Observations of phase changes in monoolein during high viscous injection
Daniel J. Wells , Peter Berntsen , Eugeniu Balaur , Cameron M. Kewish
Journal of Synchrotron Radiation 29 ( 3)
4
2022
Effects of Spin Transition on Diffusion of Fe super (2+) in Ferropericlase in Earths Lower Mantle
Saumitra Saha , Dane Morgan , Amy Bengtson
Minerals, Metals and Materials Society/AIME, 420 Commonwealth Dr., P. O. Box 430 Warrendale PA 15086 USA.[np]. 14-18 Feb
2010