The necessity of periodic boundary conditions for the accurate calculation of crystalline terahertz spectra

PA Banks, L Burgess, MT Ruggiero - Physical Chemistry Chemical …, 2021 - pubs.rsc.org
Terahertz vibrational spectroscopy has emerged as a powerful spectroscopic technique,
providing valuable information regarding long-range interactions–and associated collective …

[HTML][HTML] Spectroscopic microreactors for heterogeneous catalysis

BA Rizkin, FG Popovic, RL Hartman - Journal of Vacuum Science & …, 2019 - pubs.aip.org
Microfluidic reactors with in situ spectroscopy have enabled many new directions of
research over the last two decades. The miniature nature of these systems enables several …

Terahertz time-domain spectroscopy, imaging and density functional theory based studies of 3, 4, 5 Trinitro 1 H Pyrazole

R Koalla, N Periketi, C Ghorui, S Mangali… - Journal of Molecular …, 2022 - Elsevier
The paper reports the terahertz time-domain spectroscopy (THz-TDS) and imaging on 3, 4, 5-
Trinitro 1-H Pyrazole (explosive) in solid form between 0.1 and 3.5 THz range, including …

Physics of molecular deformation mechanism in 6H-SiC

N Mitra, KT Ramesh - … and Simulation in Materials Science and …, 2023 - iopscience.iop.org
Even though there have been several studies in literature of 6H SiC, a proper physics based
understanding of the molecular deformation mechanisms of the material under different …

Epoxy resin (DGEBA/TETA) exposed to water: A spectroscopic investigation to determine water-epoxy interactions

PS Sindhu, N Mitra, D Ghindani, SS Prabhu - Journal of Infrared, Millimeter …, 2021 - Springer
Epoxy resin, diglycidyl ether of bisphenol A (DGEBA) and triethylenetetramine (TETA), is
known to be hygroscopic in nature, which eventually leads to mechanical performance …

Noncovalent Interactions Define Global Properties of HTPB Isomers

D Prasad, N Mitra - The Journal of Physical Chemistry B, 2024 - ACS Publications
Commercially available hydroxyl-terminated polybutadiene (HTPB) variants [containing
various percentages of its isomers (cis, trans, and vinyl) and utilized in numerous …

Role of confined interstitial water in compressive response of calcium sulfate (CaSO4. n H2O)[n= 0, 0.5, 1]

PK Sarkar, N Mitra - Journal of Solid State Chemistry, 2019 - Elsevier
The primary difference in between different forms of CaSO 4 is in the presence of confined
water molecules within the molecular structure. It has been demonstrated in this manuscript …

Quantitative differentiation of normal and wound healed mice skin by terahertz time domain spectroscopy

R Kumar, A Gope, S Prodhan, S Mandal, PK Datta - Journal of Optics, 2024 - Springer
The current study involves the exposure of mice skin to the Terahertz Time Domain
Spectroscopy (THz-TDS) system to mark the quantitative difference in refractive index and …

Morphological changes in epoxy resin (DGEBA/TETA) exposed to low temperatures

P Suma Sindhu, D Ghindani, N Mitra… - Journal of Adhesion …, 2020 - Taylor & Francis
Epoxy resin (DGEBA/TETA) is commonly used as an adhesive material. When this material
is subjected to low temperatures for an extended period of time, it undergoes changes in …

Terahertz Spectroscopy of Adhesive material under various climatic conditions

SS Panchagnula, D Ghindani, N Mitra… - … on Infrared, Millimeter …, 2019 - ieeexplore.ieee.org
Epoxy resin (DGEBA/TETA) is an adhesive material which is used for manufacture of several
composite structures for use in aerospace, naval vessels as well as automobiles and various …