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Showing results 1 to 20 of 31  next >
Issue DateTitleAuthor(s)
20-Jun-20242-dimensional biphenylene monolayer as anode in Li ion secondary battery with high storage capacity: Acumen from density functional theoryDuhan, N.; Chakraborty, B.; Kumar, T.J.D.
11-Nov-2019AB Initio study of reversible hydrogen storage in metal decorated Calix[4]arenes and porous materialsKumar, S.
7-Sep-2021AB Initio study of reversible hydrogen storage in metal decorated CALIX[4]ARENES and porous materialsKumar, S.
17-Jul-2022Activation-induced surface modulation of biowaste-derived hierarchical porous carbon for supercapacitorsSharma, P.; Singh, D.; Minakshi, M.; Quadsia, S.; Ahuja, R.
3-Aug-2016An amide based dipodal Zn2+ complex for multications recognition: Nanomolar detectionFegade, U.; Sharma, H.; Singh, N.; Ingle, S.; Attarde, S.; Kuwar, A.
18-Nov-2016A benzimidazolium-based organic trication: a selective fluorescent sensor for detecting cysteine in waterSingh, A.; Singh, A.; Singh, N.; Jang, D.O.
25-Oct-2021Dissociation of air pollutants on the uniform surface of pentagonal BeP2Lakhani, K.; Kansara, S.; Gupta, S. K.; Sonvane, Y.; Seifu, D.; Gajjar, P. N.; Ahuja, R.
15-Aug-2022Distilling physical origins of hardness in multi-principal element alloys directly from ensemble neural network modelsBeniwal, D.; Singh, P.; Gupta, S.; Kramer, M.J.; Johnson, D.D.; Ray, P.K.
3-Jul-2024Effect of doping IVB, VB and VIB elements on structure, stability, elastic and electronic properties of the O and B2 of Ti2AlNb intermetallic: A first principles studyGoyal, K; Sardana, N
27-Oct-2021Electronic, optical and thermoelectric properties of two-dimensional pentagonal SiGeC4 nanosheet for photovoltaic applications: first-principles calculationsBouziani, I.; Haman, Z.; Kibbou, M.; Essaoudi, I.; Ainane, A.; Ahuja, R.
22-Sep-2022Existence of yttrium allotrope with incommensurate host–guest structure at moderate pressure: First evidence from computational approachTsuppayakorn-aek, P.; Bovornratanaraks, T.; Ahuja, R.; Bovornratanaraks, T.; Luo, W.
24-Nov-2022First principles design and investigation of 2-dimensional carbon lattices and their hetero-atom doped analogues for alkali ion batteriesYadav, N.
3-Dec-2020First principles study of reversible hydrogen adsorption in metal functionalized molecular systemsSathe, R.Y.
26-Nov-2020First-principles investigation of topological phase in rare-earth compoundsWadhwa, P.
10-Aug-2016Fundamental studies of H2 interaction with MAl3 clusters [M = Li, Sc, Ti, Zr]Samolia, M.; Kumar, T.J. D.
22-Sep-2021Fundamental studies of H2 interaction with MAl3 clusters [M = Li, Sc, Ti, Zr]Samolia, M.; Kumar, T. J. D.
15-Dec-2016Fundamental study of catalytic mechanism in complex metal hydride and METAL-BN-FRAMEWORK for hydrogen stotageSamolia, M.
23-Sep-2022Investigation of topological phases and thermoelectricity in half Heusler compounds: an Ab initio studyYadav, A.
23-Apr-2022Janus Aluminum Oxysulfide Al2OS: A promising 2D direct semiconductor photocatalyst with strong visible light harvestingHaman, Z.; Khossossi, N.; Kibbou, M.; Bouziani, I.; Singh, D.; Essaoudi, I.; Ainane, A.; Ahuja, R.
2-Aug-2016A lawsone azo dye-based fluorescent chemosensor for Cu2+ and its application in drug analysisSonawane, M.; Sahoo, S.K.; Singh, J.; Singh, N.; Sawant, C.P.; Kuwar, A.
Showing results 1 to 20 of 31  next >