N. Yedukondalu
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Computational Study of Structural, Electronic and Optical Properties of Crystalline NH4N3
N Yedukondalu, VD Ghule, V Ganapathy
The Journal of Physical Chemistry C 116 (32), 16910–16917, 2012
Electronic structure, optical properties, and bonding in alkaline-earth halofluoride scintillators: BaClF, BaBrF, and BaIF
N Yedukondalu, KR Babu, C Bheemalingam, DJ Singh, G Vaitheeswaran, ...
Physical Review B 83 (16), 165117, 2011
Phase stability and lattice dynamics of ammonium azide under hydrostatic compression
N Yedukondalu, G Vaitheeswaran, P Anees, MC Valsakumar
Physical Chemistry Chemical Physics 17 (43), 29210-29225, 2015
Pressure induced structural phase transition in solid oxidizer KClO3: A first-principles study
N Yedukondalu, VD Ghule, G Vaitheeswaran
The Journal of Chemical Physics 138 (17), 174701, 2013
Ab initio study of electronic structure, elastic and optical properties of anti-perovskite type alkali metal oxyhalides
J Ramanna, N Yedukondalu, KR Babu, G Vaitheeswaran
Solid state sciences 20, 120-126, 2013
Structural, electronic and optical properties of novel carbonate fluorides ABCO3F (A= K, Rb, Cs; B= Ca, Sr)
EN Rao, S Appalakondaiah, N Yedukondalu, G Vaitheeswaran
Journal of Solid State Chemistry 212, 171-179, 2014
Structural properties of solid energetic materials: a van der Waals density functional study
G Vaitheeswaran, KR Babu, N Yedukondalu, S Appalakondaiah
Current Science, 1219-1223, 2014
Assessing therapeutic potential of molecules: molecular property diagnostic suite for tuberculosis
AS Gaur, A Bhardwaj, A Sharma, L John, MR Vivek, N Tripathi, ...
Journal of Chemical Sciences 129, 515-531, 2017
Ab-initio study of structural, vibrational and optical properties of solid oxidizers
N Yedukondalu, G Vaitheeswaran
Materials Chemistry and Physics 181, 54-66, 2016
High pressure structural, elastic and vibrational properties of green energetic oxidizer ammonium dinitramide
N Yedukondalu, VD Ghule, G Vaitheeswaran
The Journal of Chemical Physics 145 (6), 064706, 2016
Polymorphism, phase transition, and lattice dynamics of energetic oxidizer ammonium perchlorate under high pressure
N Yedukondalu, G Vaitheeswaran
The Journal of Physical Chemistry C 123 (4), 2114-2126, 2019
Ab initio study of scintillating lanthanide oxyhalide host materials
G Shwetha, V Kanchana, N Yedukondalu, G Vaitheeswaran
Materials Research Express 2 (10), 105901, 2015
Structural, elastic, electronic and optical properties of layered alkaline-earth halofluoride scintillators
V Kanchana, N Yedukondalu, G Vaitheeswaran
Philosophical Magazine 93 (26), 3563-3575, 2013
Prediction and synthesis of dysprosium hydride phases at high pressure
NP Salke, MM Davari Esfahani, N Yedukondalu, Y Zhang, IA Kruglov, ...
Inorganic Chemistry 59 (8), 5303-5312, 2020
Unraveling the hidden martensitic phase transition in BaClF and PbClF under high pressure using an ab initio evolutionary approach
N Yedukondalu, MM Davari Esfahani
Inorganic chemistry 58 (9), 5886-5899, 2019
Structural stability, vibrational, and bonding properties of potassium 1, 1′-dinitroamino-5, 5′-bistetrazolate: An emerging green primary explosive
N Yedukondalu, G Vaitheeswaran
The Journal of Chemical Physics 143 (6), 064508, 2015
Pressure-Induced Martensitic Phase Transition and Low Lattice Thermal Conductivity of SrClF
L Kunduru, N Yedukondalu, SCR Roshan, S Sripada, M Sainath, L Ehm, ...
The Journal of Physical Chemistry C 125 (31), 17261-17270, 2021
Structural, vibrational and bonding properties of hydro-nitrogen solids under high pressure: An ab-initio study
G Vaitheeswaran, N Yedukondalu, BM Abraham
Journal of Chemical Sciences 128, 1631-1639, 2016
Structure and lattice dynamics of calcium chalcogenides under high pressure
SCR Roshan, L Kunduru, N Yedukondalu, M Sainath
Materials Today: Proceedings 5 (9), 18874-18878, 2018
Lattice dynamics and electronic structure of mixed halofluoride scintillators under high pressure
V Kanchana, N Yedukondalu, G Vaitheeswaran
AIP Conference Proceedings 1665 (1), 090009, 2015
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