1. Quantum chemical computation by DFT application of NLO molecule 2-aminopyridinium p-toluenesulphonate

   • Mahesh Pal Singh Yadav
   • Anuj kumar

   OriginalPaper 24 June 2017 Article: 18

   

2. Dielectric constant of graphene-on-polarized substrate: A tight-binding model study

   • Sivabrata Sahu
   • S K S Parashar
   • G C Rout

   OriginalPaper 24 June 2017 Article: 17

   

3. Microscopic theory of substrate-induced gap effect on real AFM susceptibility in graphene

   • Sivabrata Sahu
   • S K Panda
   • G C Rout

   OriginalPaper 24 June 2017 Article: 16

   

4. Structural and morphological characterization of CdSe:Mn thin films

   • Sarika Singh
   • A K Shrivastava

   OriginalPaper 24 June 2017 Article: 15

   

5. Optical properties of boron-group (V) hexagonal nanowires: DFT investigation

   • B Santhibhushan
   • Mahesh Soni
   • Anurag Srivastava

   OriginalPaper 20 June 2017 Article: 14

   

6. A theoretical study on the B3 phases of ZnSe: Structural and electronic properties

   • Khoirom Kabita
   • B Indrajit Sharma

   OriginalPaper 20 June 2017 Article: 13

   

7. Spectroscopic and chemical reactivity analysis of D-Myo-Inositol using quantum chemical approach and its experimental verification

   • Devendra P Mishra
   • Anchal Srivastava
   • R K Shukla

   OriginalPaper 20 June 2017 Article: 12

   

8. Density functional study of \(\hbox {AgScO}_2\): Electronic and optical properties

   • K C Bhamu
   • Jagrati Sahariya
   • K R Priolkar

   OriginalPaper 20 June 2017 Article: 11

   

9. Design and analysis of MEMS MWCNT/epoxy strain sensor using COMSOL

   • Gaurav Sapra
   • Preetika Sharma

   OriginalPaper 20 June 2017 Article: 10

   

10. Electronic and structural investigation of buckled antimonene using density functional theory calculation

    • Md Shahzad Khan
    • Rahul Ratn
    • Anurag Srivastava

    OriginalPaper 20 June 2017 Article: 9

    

11. A fragment-based approach towards ab-initio treatment of polymeric materials

    • Reshma S Pingale
    • Subhash S Pingale
    • Anjali Kshirsagar

    OriginalPaper 20 June 2017 Article: 8

    

12. Computational studies of third-order nonlinear optical properties of pyridine derivative 2-aminopyridinium p-toluenesulphonate crystal

    • Anuj Kumar
    • Mahesh Pal Singh Yadav

    OriginalPaper 20 June 2017 Article: 7

    

13. Magnetic interactions and electronic structure of \(\hbox {Pt}_{2}\hbox {Mn}_{1-x}\hbox {Y}_{x} \hbox {Ga (Y = Cr and Fe)}\) system: An ab-initio calculation

    • Tufan Roy
    • Aparna Chakrabarti

    OriginalPaper 19 June 2017 Article: 6

    

14. Electronic structure and optical properties of prominent phases of \(\hbox {TiO}_{2}\): First-principles study

    • Santosh Singh
    • Madhvendra Nath Tripathi

    OriginalPaper 19 June 2017 Article: 5

    

15. Structural and optical characteristics of Ce, Nd, Gd, and Dy-doped \(\hbox {Al}_{2}\hbox {O}_{3}\) thin films

    • Ashwini S Varpe
    • Mrinalini D Deshpande

    OriginalPaper 19 June 2017 Article: 4

    

16. Structural characterization of Mg substituted on A/B sites in \(\hbox {NiFe}_2\hbox {O}_4\) nanoparticles using autocombustion method

    • Manojit De
    • H S Tewari

    OriginalPaper 19 June 2017 Article: 3

    

17. The effects of different possible modes of uniaxial strain on the tunability of electronic and band structures in \(\text {MoS}_2\) monolayer nanosheet via first-principles density functional theory

    • Dimple
    • Nityasagar Jena
    • Abir De Sarkar

    OriginalPaper 19 June 2017 Article: 2

    

18. Preface

    • Anurag Srivastava
    • H S Tewari
    • C S Praveen

    Announcement 16 June 2017 Article: 1