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Publications in 2012 :

 

1.Metal azides under pressure: An emerging class of high energy density materials

Vaitheeswaran, G., Ramesh Babu, K., Journal of Chemical Sciences 124 (6) , pp. 1391-1398(2012)

 

2.Compressibility and structural stability of CeN from experiment and theory. the B1-B2 transition

Olsen, J.S., Jorgensen, J.-E., Gerward, L., Vaitheeswaran, G., Kanchana, V., Svane, A., Journal of Alloys and Compounds 533 , pp. 29-32(2012)

 

3.Vibrational properties of BaClF, BaBrF and BaIF under high pressure

Yedukondalu, N., Vaitheeswaran, G.Journal of Physics: Conference Series 377 (1) , art. no. 012070(2012)

 

4.High pressure study on structural and vibrational properties of NH 3BH 3

Bheema Lingam,C., Ramesh Babu, K., Tewari, S.P., Vaitheeswaran, G., Journal of Physics: Conference Series 377 (1) , art. no. 012088(2012)

 

5.Computational study of structural, electronic, and optical properties of crystalline NH 4N 3

Yedukondalu, N., Ghule, V.D., Vaitheeswaran, G.Journal of Physical Chemistry C 116 (32) , pp. 16910-16917(2012)

 

6.Effect of van der Waals interactions on the structural and elastic properties of black phosphorus

Appalakondaiah, S., Vaitheeswaran, G., Lebègue, S., Christensen, N.E., Svane, A.,Physical Review B - Condensed Matter and Materials Physics 86 (3) , art. no. 035105(2012)

 

7.Electronic topological transition in LaSn 3 under pressure

Ram, S., Kanchana, V., Vaitheeswaran, G., Svane, A., Dugdale, S.B., Christensen, N.E.,Physical Review B - Condensed Matter and Materials Physics 85 (17) , art. no. 174531(2012)

 

8.Ab-initio study of structural and vibrational properties of KN 3 under pressure

Ramesh Babu, K., Vaitheeswaran, G.,Chemical Physics Letters 533 , pp. 35-39(2012)

 

9.Density functional study of electronic,bonding, and vibrational properties of Ca (NH 2BH 3) 2

Bheema Lingam,C, Ramesh Babu, K., Tewari, S.P., Vaitheeswaran, G.,Journal of Computational Chemistry 33 (9) , pp. 987-997(2012)

 

10.Lattice instability and martensitic transformation in LaAg predicted from first-principles theory

Vaitheeswaran, G., Kanchana, V., Zhang, X., Ma, Y., Svane, A., Kaul, S.N.,Journal of Physics Condensed Matter 24 (7) ,

art. no. 075402(2012)

 

11.High pressure studies on uranium and thorium silicide compounds: Experiment and theory

Yagoubi, S., Heathman, S., Svane, A., Vaitheeswaran, G., Heines, P., Griveau, J.-C., Le Bihan, T., (...), Caciuffo, R.,Journal of Alloys and Compounds 546 , pp. 63-71(2012).

 

 

 

 

 

 

 

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