Jove
Visualize
Contact Us
JoVE
x logofacebook logolinkedin logoyoutube logo
ABOUT JoVE
OverviewLeadershipBlogJoVE Help Center
AUTHORS
Publishing ProcessEditorial BoardScope & PoliciesPeer ReviewFAQSubmit
LIBRARIANS
TestimonialsSubscriptionsAccessResourcesLibrary Advisory BoardFAQ
RESEARCH
JoVE JournalMethods CollectionsJoVE Encyclopedia of ExperimentsArchive
EDUCATION
JoVE CoreJoVE BusinessJoVE Science EducationJoVE Lab ManualFaculty Resource CenterFaculty Site
Terms & Conditions of Use
Privacy Policy
Policies

Filters

V Balachandran

Showing results (61-70 of 100) with videos related to

Pageof 10
Sort By:
Spectrochimica Acta. Part A, Molecular and Biomolecular Spectroscopy|March 1, 2015
Synthesis, crystal structures HOMO-LUMO analysis and DFT calculation of new complexes of p-substituted dibenzyltin chlorides and 1,10-phenanthrolineS Chandrasekar, V Balachandran, Helen-Stoeckli Evans, et al.
Spectrochimica Acta. Part A, Molecular and Biomolecular Spectroscopy|October 25, 2013
Structural features of the 2-amino-5-nitrobenzophenone by means of vibrational spectroscopy HF and DFT, first order hyperpolarizability, NBO, HOMO-LUMO and theromodynamic propertiesV Balachandran, G Santhi, V Karpagam, et al.
Spectrochimica Acta. Part A, Molecular and Biomolecular Spectroscopy|December 3, 2013
Theoretical investigations on the molecular structure, vibrational spectra, thermodynamics, HOMO-LUMO, NBO analyses and paramagnetic susceptibility properties of p-(p-hydroxyphenoxy)benzoic acidV Balachandran, S Lalitha, S Rajeswari, et al.
Nature Communications|February 18, 2017
Learning from data to design functional materials without inversion symmetryPrasanna V Balachandran, Joshua Young, Turab Lookman, et al.
Acta Crystallographica Section B, Structural Science, Crystal Engineering and Materials|October 3, 2015
Classification of ABO3 perovskite solids: a machine learning studyG Pilania, P V Balachandran, J E Gubernatis, et al.
Scientific Reports|August 26, 2015
Materials Prediction via Classification LearningPrasanna V Balachandran, James Theiler, James M Rondinelli, et al.
Spectrochimica Acta. Part A, Molecular and Biomolecular Spectroscopy|May 10, 2014
Conformational stability, spectroscopic (FT-IR & FT-Raman), HOMO-LUMO, NBO and thermodynamic function of 4-(trifloromethoxy) phenolV Balachandran, M Murugan, V Karpagam, et al.
Spectrochimica Acta. Part A, Molecular and Biomolecular Spectroscopy|June 21, 2015
Conformational stability, spectroscopic and computational studies, HOMO-LUMO, NBO, ESP analysis, thermodynamic parameters of natural bioactive compound with anticancer potential of 2-(hydroxymethyl)anthraquinoneV Balachandran, V Karpagam, B Revathi, et al.
Scientific Reports|July 8, 2022
A comparison of explainable artificial intelligence methods in the phase classification of multi-principal element alloysKyungtae Lee, Mukil V Ayyasamy, Yangfeng Ji, et al.
Spectrochimica Acta. Part A, Molecular and Biomolecular Spectroscopy|June 4, 2014
Comparative vibrational spectroscopic studies, HOMO-LUMO, NBO analyses and thermodynamic functions of p-cresol and 2-methyl-p-cresol based on DFT calculationsV Balachandran, M Murugan, A Nataraj, et al.
Pageof 10

Showing results (61-70 of 100) with videos related to

Sort By:
Pageof 10
Spectrochimica Acta. Part A, Molecular and Biomolecular Spectroscopy|March 1, 2015
Synthesis, crystal structures HOMO-LUMO analysis and DFT calculation of new complexes of p-substituted dibenzyltin chlorides and 1,10-phenanthrolineS Chandrasekar, V Balachandran, Helen-Stoeckli Evans, et al.
Spectrochimica Acta. Part A, Molecular and Biomolecular Spectroscopy|October 25, 2013
Structural features of the 2-amino-5-nitrobenzophenone by means of vibrational spectroscopy HF and DFT, first order hyperpolarizability, NBO, HOMO-LUMO and theromodynamic propertiesV Balachandran, G Santhi, V Karpagam, et al.
Spectrochimica Acta. Part A, Molecular and Biomolecular Spectroscopy|December 3, 2013
Theoretical investigations on the molecular structure, vibrational spectra, thermodynamics, HOMO-LUMO, NBO analyses and paramagnetic susceptibility properties of p-(p-hydroxyphenoxy)benzoic acidV Balachandran, S Lalitha, S Rajeswari, et al.
Nature Communications|February 18, 2017
Learning from data to design functional materials without inversion symmetryPrasanna V Balachandran, Joshua Young, Turab Lookman, et al.
Acta Crystallographica Section B, Structural Science, Crystal Engineering and Materials|October 3, 2015
Classification of ABO3 perovskite solids: a machine learning studyG Pilania, P V Balachandran, J E Gubernatis, et al.
Scientific Reports|August 26, 2015
Materials Prediction via Classification LearningPrasanna V Balachandran, James Theiler, James M Rondinelli, et al.
Spectrochimica Acta. Part A, Molecular and Biomolecular Spectroscopy|May 10, 2014
Conformational stability, spectroscopic (FT-IR & FT-Raman), HOMO-LUMO, NBO and thermodynamic function of 4-(trifloromethoxy) phenolV Balachandran, M Murugan, V Karpagam, et al.
Spectrochimica Acta. Part A, Molecular and Biomolecular Spectroscopy|June 21, 2015
Conformational stability, spectroscopic and computational studies, HOMO-LUMO, NBO, ESP analysis, thermodynamic parameters of natural bioactive compound with anticancer potential of 2-(hydroxymethyl)anthraquinoneV Balachandran, V Karpagam, B Revathi, et al.
Scientific Reports|July 8, 2022
A comparison of explainable artificial intelligence methods in the phase classification of multi-principal element alloysKyungtae Lee, Mukil V Ayyasamy, Yangfeng Ji, et al.
Spectrochimica Acta. Part A, Molecular and Biomolecular Spectroscopy|June 4, 2014
Comparative vibrational spectroscopic studies, HOMO-LUMO, NBO analyses and thermodynamic functions of p-cresol and 2-methyl-p-cresol based on DFT calculationsV Balachandran, M Murugan, A Nataraj, et al.
Pageof 10