Shikha Nangia
Shikha Nangia
Professor of biomedical and chemical engineering, Syracuse University
Verified email at syr.edu
TitleCited byYear
Coherent switching with decay of mixing: an improved treatment of electronic coherence for non-Born–Oppenheimer trajectories
C Zhu, S Nangia, AW Jasper, DG Truhlar
The Journal of chemical physics 121 (16), 7658-7670, 2004
2082004
Introductory lecture: Nonadiabatic effects in chemical dynamics
AW Jasper, C Zhu, S Nangia, DG Truhlar
Faraday Discussions 127, 1-22, 2004
1762004
Non-born− oppenheimer molecular dynamics
AW Jasper, S Nangia, C Zhu, DG Truhlar
Accounts of chemical research 39 (2), 101-108, 2006
1582006
Effects of nanoparticle charge and shape anisotropy on translocation through cell membranes
S Nangia, R Sureshkumar
Langmuir 28 (51), 17666-17671, 2012
1242012
Reaction rates and dissolution mechanisms of quartz as a function of pH
S Nangia, BJ Garrison
The Journal of Physical Chemistry A 112 (10), 2027-2033, 2008
872008
Direct calculation of coupled diabatic potential-energy surfaces for ammonia and mapping of a four-dimensional conical intersection seam
S Nangia, DG Truhlar
The Journal of chemical physics 124 (12), 124309, 2006
632006
Army ants algorithm for rare event sampling of delocalized nonadiabatic transitions by trajectory surface hopping and the estimation of sampling errors by the bootstrap method
S Nangia, AW Jasper, TF Miller III, DG Truhlar
The Journal of chemical physics 120 (8), 3586-3597, 2004
492004
Simulating Gram-negative bacterial outer membrane: a coarse grain model
H Ma, FJ Irudayanathan, W Jiang, S Nangia
The Journal of Physical Chemistry B 119 (46), 14668-14682, 2015
452015
Ab initio investigation of dissolution mechanisms in aluminosilicate minerals
CP Morrow, S Nangia, BJ Garrison
The Journal of Physical Chemistry A 113 (7), 1343-1352, 2009
402009
Study of a family of 40 hydroxylated β-cristobalite surfaces using empirical potential energy functions
S Nangia, NM Washton, KT Mueller, JD Kubicki, BJ Garrison
The Journal of Physical Chemistry C 111 (13), 5169-5177, 2007
362007
Advanced Monte Carlo approach to study evolution of quartz surface during the dissolution process
S Nangia, BJ Garrison
Journal of the American Chemical Society 131 (27), 9538-9546, 2009
262009
Ab initio study of dissolution and precipitation reactions from the edge, kink, and terrace sites of quartz as a function of pH
S Nangia, BJ Garrison
Molecular Physics 107 (8-12), 831-843, 2009
262009
Multiscale approach to investigate self-assembly of telodendrimer based nanocarriers for anticancer drug-delivery
W Jiang, J Luo, S Nangia
Langmuir, 2014
252014
Molecular Architecture of the Blood Brain Barrier Tight Junction Proteins–A Synergistic Computational and In Vitro Approach
FJ Irudayanathan, JP Trasatti, P Karande, S Nangia
The Journal of Physical Chemistry B 120 (1), 77-88, 2015
232015
Can a single-reference approach provide a balanced description of ground and excited states? A comparison of the completely renormalized equation-of-motion coupled-cluster …
S Nangia, DG Truhlar, MJ McGuire, P Piecuch
The Journal of Physical Chemistry A 109 (51), 11643-11646, 2005
212005
Architecture of the paracellular channels formed by claudins of the blood–brain barrier tight junctions
FJ Irudayanathan, N Wang, X Wang, S Nangia
Annals of the New York Academy of Sciences 1405 (1), 131-146, 2017
192017
Theoretical advances in the dissolution studies of mineral–water interfaces
S Nangia, BJ Garrison
Theoretical Chemistry Accounts 127 (4), 271-284, 2010
162010
Modeling diversity in structures of bacterial outer membrane lipids
H Ma, DD Cummins, NB Edelstein, J Gomez, A Khan, MD Llewellyn, ...
Journal of chemical theory and computation 13 (2), 811-824, 2017
152017
Optical signature of formation of protein corona in the firefly luciferase-CdSe quantum dot complex
JM Elward, FJ Irudayanathan, S Nangia, A Chakraborty
Journal of chemical theory and computation 10 (12), 5224-5228, 2014
152014
Mechanism of antibacterial activity of choline-based ionic liquids (CAGE)
KN Ibsen, H Ma, A Banerjee, EEL Tanner, S Nangia, S Mitragotri
ACS Biomaterials Science & Engineering 4 (7), 2370-2379, 2018
142018
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