Publication Summary                              

Journals:                       114    (SCI: 111 ; Invited & Referred: 03)

Books:                       02     (Intl. 02)

e-Book (Edited):       01      (Ind.)

Book Chapters:       10      (Intl. 08, Ind. 02)

Conference papers: 21      (SCI/Scopus: 14, Others: 07)

Total no. of publications: 148           LINK FOR FULL LIST OF PUBLICATIONS

Article Citation Statistics:

Total citations:         5600+

h-index:                     34 (GS);  i10-index: 69 (GS)

VIDWAN (An MoE, GoI project) score: 9.8 out of 10

Research Gate Score:      33.36

VIDWAN GOOGLE SCHOLAR RESEARCH GATE PUBLON 

Monolayer PC3: A promising material for environmentally toxic nitrogen-containing multi gases  

K. Rajput, J. He, T. Frauenheim* and D. R. Roy*

Journal of Hazardous Materials (Elsevier Sci.) 2021    [Link]    

ISSN: 0304-3894,  SCI I. F.: 14.224 (2021)

Electric field-induced band modulation of predicted ternary 2D MXC3 [M:X = As:Ge, Sb:Sn and Bi:Pb] with strong stability and optical properties  

V. Kumar,* K. Rajput and D. R. Roy*

CARBON (Elsevier Sci.) 172 (2021) 791-803.                  [Link]                  

ISSN: 0008-6223,  SCI I. F.: 11.307 (2021)

Ca2C MXene Monolayer as A Superior Anode for Metal-Ion Batteries  

            K. Rajput, V. Kumar, T. Siby, M. A. Zaeem* and D. R. Roy*

            2D Materials (Inst. Of Phys.) 8 (2021) 035015.                 [Link]                          

            ISSN: 2053-1583, SCI I. F.: 7.103 (2020) 

2D Sb2C3 monolayer: A promising material for recyclable gas sensor for environmentally 

            toxic nitrogen-containing gases (NCGs)  

            V. Kumar,* D. Azhikodan and D. R. Roy*

            Journal of Hazardous Materials (Elsevier Sci.) 2021        [Link]

             ISSN: 0304-3894,  SCI I. F.: 14.224 (2021)

Heterobilayer CaS/CaSe: A promising sensor for environmental toxic NO2 gas with high 

            selectivity and sensitivity

            K. Rajput, V. Kumar and D. R. Roy* 

            Applied Surface Science (Elsevier) 528 (2020) 146996 [Link]

            ISSN: 0169-4332,  SCI I. F.: 7.392 (2021) 

2D PC3 as a promising thermoelectric material

            K. Rajput and D. R. Roy* 

            Phys. Chem. Chem. Phys. (Royal Soc. Chem.) 22 (2020) 8625-8632 [Link]

            ISSN: 1463-9084,  SCI I. F.: 3.945 (2021) 

Group three nitride clusters as promising components for nanoelectronics 

           K. Rajput, B. R. Mehta, U. Kleinekathöfer, T. Frauenheim and D. R. Roy*

           Mat. Today Chem. (Elsevier Sci) 23 (2022) 100751 [SCI] [Link]

           ISSN: 2468-5194, SCI I. F.: 8.301 (2020)  

2D and Bulk h-MgSe Materials from MgmSen(m,n=1-3) Clusters: Density Functional 

           Investigation

           V. Kumar, M. Shaikh and D. R. Roy* 

           J. Alloys Comp. (Elsevier Sci), 2016, 687, 130-134.[SCI] [Link]

           ISSN: 0925-8388, SCI I. F.: 6.371 (2021)

On the ground state of Pd13

           A. M. Köster, P. Calaminici, E. Orgaz, D. R. Roy, J. U. Reveles and S. N. Khanna

           J. Am. Chem. Soc. 2011, 133, 12192-12196 [SCI]

           ISSN: 1520-5126,  SCI I. F.: 16.383 (2021)     [Link]

Magnetic moment and local moment alignment in anionic and/or oxidized Fen clusters

D. R. Roy, R. Robles and S. N. Khanna

J. Chem. Phys. 2010, 132, 194305(1)-194305(7) [SCI] 

ISSN: 1089-7690,  SCI I. F.: 3.488 (2020)       [Link]

Electrophilicity Index

           P. K. Chattaraj, U. Sarkar and D. R. Roy

           Chem. Rev. 2006, 106, 2065-2091 [SCI]

           ISSN: 0009-2665, SCI I. F.: 72.087 (2021)

               Top 1% Cited Article (Thomson Sci.)

Update 1 of: Electrophilicity Index (Perennial Review)

           P. K. Chattaraj and D. R. Roy

           Chem. Rev. 2007, 107, PR46-PR74 [SCI]

           ISSN: 0009-2665, SCI I. F.: 72.087 (2021)       [Link] 

  Published as a COVER ARTICLE

A Possible Union of Chemical Bonding, Reactivity and Kinetics

           P. K. Chattaraj and D. R. Roy

           J. Phys. Chem. A (Letter) 2006, 110, 11401-11403.

           ISSN: 1089-5639, I. F.: 6.475 (2020)                [Link]

           Most-Accessed Articles: Oct-Dec, 2006

Green synthesis of triangular ZnO nanoparticles using Azadirachta indica leaf extract and its shape dependency for significant antimicrobial activity: Joint experimental and theoretical investigation  

            B.K. Sharma, B.R. Mehta, E.V. Shah, V.P. Chaudhari, D.R. Roy* and S. Mondal Roy*

            Journal of Cluster Science (Springer), 2021                                

            ISSN: 1040-7278, SCI I. F.: 3.447 (2021) 

Synthesis of Ciprofloxacin Drug Capped Silver Nanoparticles and Their Antimicrobial Activity: A Joint Spectrophotometric and Density Functional Investigation

           S. Mondal Roy,* B. K. Sharma and D. R. Roy

           Journal of Cluster Science (Springer), 2021

           ISSN: 1040-7278, SCI I. F.: 3.447 (2021)                   [Link] 

Experimental and first-principles investigation on the structural, electronic and antimicrobial properties of nickel hydroxide nanoparticles

V.P. Chaudhari, K. Rajput, S. Mondal Roy, T.K. Chaudhuri* and D.R. Roy*

Journal of Physics and Chemistry of Solids (Elsevier Science) 2022, 160, 110367

ISSN:  0022-3697, SCI I. F.: 4.38 (2021)                   [Link]

Electrophilicity as a Possible Descriptor for Toxicity Prediction

           D. R. Roy, R. Parthasarathi, B. Maiti, V. Subramanian and P. K. Chattaraj

           Bioorg. Med. Chem. (Elsevier Science) 2005, 13, 3405-3412 [SCI]    

  ISSN: 0968-0896, SCI I. F.: 3.641 (2020)                     [Link]

          Science Direct TOP-25 Hottest, 2005; Bioorg. Med. Chem. TOP-50 Most Cited, 2003-06        

An atom counting Strategy towards Analyzing the Biological Activity of Sex Hormones

  D. R. Roy, N. Pal, A. Mitra, P. Bultinck, R. Parthasarathi, V. Subramanian and P. K. Chattaraj

  Eur. J. Med. Chem. (Elsevier Science), 2007, 42, 1365-1369.

      ISSN: 0223-5234, SCI I. F.: 7.088 (2021)               [Link]