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Spectrochimica Acta. Part A, Molecular and Biomolecular Spectroscopy
|
September 1, 2014
Conformational stability, vibrational and NMR analysis, chemical potential and thermodynamical parameter of 3-tert-butyl-4-hydroxyanisole
V Balachandran, V Karpagam, B Revathi, et al.
Spectrochimica Acta. Part A, Molecular and Biomolecular Spectroscopy
|
September 13, 2017
Topological analysis (BCP) of vibrational spectroscopic studies, docking, RDG, DSSC, Fukui functions and chemical reactivity of 2-methylphenylacetic acid
M Kavimani, V Balachandran, B Narayana, et al.
Spectrochimica Acta. Part A, Molecular and Biomolecular Spectroscopy
|
December 3, 2014
Spectroscopic investigation, natural bond orbital analysis, HOMO-LUMO and thermodynamic functions of 2-tert-butyl-5-methyl anisole using DFT (B3LYP) calculations
V Balachandran, G Santhi, V Karpagam, et al.
Spectrochimica Acta. Part A, Molecular and Biomolecular Spectroscopy
|
August 6, 2013
Vibrational (FT-IR and FT-Raman) spectra, NBO, HOMO-LUMO, Molecular electrostatic potential surface and computational analysis of 4-(trifluoromethyl)benzylbromide
M Karnan, V Balachandran, M Murugan, et al.
Scientific Reports
|
January 22, 2016
Adaptive Strategies for Materials Design using Uncertainties
Prasanna V Balachandran, Dezhen Xue, James Theiler, et al.
Spectrochimica Acta. Part A, Molecular and Biomolecular Spectroscopy
|
February 7, 2009
FTIR, FT-Raman, scaled quantum chemical studies of the structure and vibrational spectra of 1,5-dinitronaphthalene
M Arivazhagan, V Krishnakumar, R John Xavier, et al.
ACS Applied Materials & Interfaces
|
October 27, 2021
Machine-Learning-Enabled Prediction of Adiabatic Temperature Change in Lead-Free BaTiO<sub>3</sub>-Based Electrocaloric Ceramics
Melody Su, Ryan Grimes, Sunidhi Garg, et al.
Spectrochimica Acta. Part A, Molecular and Biomolecular Spectroscopy
|
September 15, 2014
Conformational stability, vibrational (FT-IR and FT-Raman) spectra and computational analysis of m-trifluoromethyl benzoic acid
V Balachandran, V Karpagam, G Santhi, et al.
Nature Communications
|
April 16, 2016
Accelerated search for materials with targeted properties by adaptive design
Dezhen Xue, Prasanna V Balachandran, John Hogden, et al.
Scientific Reports
|
June 11, 2026
A physics-regularized machine learning approach for predicting time-temperature-transformation curves in alloys: application to uranium-based alloys
Sunidhi Garg, Jishnu Bhattacharyya, Vineet V Joshi, et al.
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of 10
Search research articles
Search
Showing results (71-80 of 100) with videos related to
Sort By:
Page
of 10
Spectrochimica Acta. Part A, Molecular and Biomolecular Spectroscopy
|
September 1, 2014
Conformational stability, vibrational and NMR analysis, chemical potential and thermodynamical parameter of 3-tert-butyl-4-hydroxyanisole
V Balachandran, V Karpagam, B Revathi, et al.
Spectrochimica Acta. Part A, Molecular and Biomolecular Spectroscopy
|
September 13, 2017
Topological analysis (BCP) of vibrational spectroscopic studies, docking, RDG, DSSC, Fukui functions and chemical reactivity of 2-methylphenylacetic acid
M Kavimani, V Balachandran, B Narayana, et al.
Spectrochimica Acta. Part A, Molecular and Biomolecular Spectroscopy
|
December 3, 2014
Spectroscopic investigation, natural bond orbital analysis, HOMO-LUMO and thermodynamic functions of 2-tert-butyl-5-methyl anisole using DFT (B3LYP) calculations
V Balachandran, G Santhi, V Karpagam, et al.
Spectrochimica Acta. Part A, Molecular and Biomolecular Spectroscopy
|
August 6, 2013
Vibrational (FT-IR and FT-Raman) spectra, NBO, HOMO-LUMO, Molecular electrostatic potential surface and computational analysis of 4-(trifluoromethyl)benzylbromide
M Karnan, V Balachandran, M Murugan, et al.
Scientific Reports
|
January 22, 2016
Adaptive Strategies for Materials Design using Uncertainties
Prasanna V Balachandran, Dezhen Xue, James Theiler, et al.
Spectrochimica Acta. Part A, Molecular and Biomolecular Spectroscopy
|
February 7, 2009
FTIR, FT-Raman, scaled quantum chemical studies of the structure and vibrational spectra of 1,5-dinitronaphthalene
M Arivazhagan, V Krishnakumar, R John Xavier, et al.
ACS Applied Materials & Interfaces
|
October 27, 2021
Machine-Learning-Enabled Prediction of Adiabatic Temperature Change in Lead-Free BaTiO<sub>3</sub>-Based Electrocaloric Ceramics
Melody Su, Ryan Grimes, Sunidhi Garg, et al.
Spectrochimica Acta. Part A, Molecular and Biomolecular Spectroscopy
|
September 15, 2014
Conformational stability, vibrational (FT-IR and FT-Raman) spectra and computational analysis of m-trifluoromethyl benzoic acid
V Balachandran, V Karpagam, G Santhi, et al.
Nature Communications
|
April 16, 2016
Accelerated search for materials with targeted properties by adaptive design
Dezhen Xue, Prasanna V Balachandran, John Hogden, et al.
Scientific Reports
|
June 11, 2026
A physics-regularized machine learning approach for predicting time-temperature-transformation curves in alloys: application to uranium-based alloys
Sunidhi Garg, Jishnu Bhattacharyya, Vineet V Joshi, et al.
Page
of 10