Items where Author is "Mallajosyula, Sairam S."

Article

Mallajosyula, Sairam S. ; Pati, Swapan K. (2010) Toward DNA conductivity: a theoretical perspective The Journal of Physical Chemistry Letters, 1 (12). pp. 1881-1894. ISSN 1948-7185

Mallajosyula, Sairam S. ; Pati, Swapan K. (2009) Conformational tuning of magnetic interactions in Metal-DNA complexes Angewandte Chemie International Edition, 48 (27). pp. 4977-4981. ISSN 1433-7851

Mallajosyula, Sairam S. ; Gupta, Ashutosh ; Pati, Swapan K. (2009) Fluctuations at the base pair level effecting charge transfer in DNA The Journal of Physical Chemistry A, 113 (16). pp. 3955-3962. ISSN 1089-5639

Mallajosyula, Sairam S. ; Parida, Prakash ; Pati, Swapan K. (2009) Organometallic vanadium-borazine systems: efficient one-dimensional half-metallic spin filters Journal of Materials Chemistry, 19 (12). pp. 1761-1766. ISSN 0959-9428

Mallajosyula, Sairam S. ; Usha, H. ; Datta, Ayan ; Pati, Swapan K. (2008) Molecular modelling of a chemodosimeter for the selective detection of As(III) ion in water Journal of Chemical Sciences, 120 (6). pp. 627-635. ISSN 0253-4134

Mallajosyula, Sairam S. ; Pati, Swapan K. (2008) Benzimidazole-modified single-stranded DNA: stable scaffolds for 1-dimensional spintronics constructs The Journal of Physical Chemistry B, 112 (51). pp. 16982-16989. ISSN 1089-5647

Mallajosyula, Sairam S. ; Lin, J. C. ; Cox, D. L. ; Pati, S. K. ; Singh, R. R. P. (2008) Sequence dependent electron transport in wet DNA: ab initio and molecular dynamics studies The Journal of Physical Chemistry A, 101 (17). pp. 176805-176808. ISSN 1089-5639

Mallajosyula, Sairam S. ; Pati, Swapan K. (2007) Effect of protonation on the electronic properties of DNA base pairs: applications for molecular electronics The Journal of Physical Chemistry B, 111 (4). pp. 11614-11618. ISSN 1089-5647

Datta, Ayan ; Mallajosyula, Sairam S. ; Pati, Swapan K. (2007) Nonlocal electronic distribution in metallic clusters: a critical examination of aromatic stabilization Accounts of Chemical Research, 40 (3). pp. 213-221. ISSN 0001-4842

Mallajosyula, Sairam S. ; Pati, Swapan K. (2007) Structure and transport characteristics of modified DNA with magnetic ions Physical Review Letters, 98 (13). pp. 136601-136604. ISSN 0031-9007

Mallajosyula, Sairam S. ; Pati, Swapan K. (2007) Vanadium-benzimidazole-modified sDNA: a one-dimensional half-metallic ferromagnet The Journal of Physical Chemistry B, 111 (50). pp. 13877-13880. ISSN 1089-5647

Mallajosyula, Sairam S. ; Datta, Ayan ; Pati, Swapan K. (2006) Aromatic superclusters from all-metal aromatic and antiaromatic monomers, [Al₄]^2- and [Al₄]^4- The Journal of Physical Chemistry B, 110 (41). pp. 20098-20101. ISSN 1089-5647

Mallajosyula, Sairam S. ; Datta, Ayan ; Pati, Swapan K. (2006) Conformational preference in heteroatomic analogues of ethane, H₃X-YH₃ (X = B, Al; Y = N, P): implications of charge transfer The Journal of Physical Chemistry A, 110 (15). pp. 5156-5163. ISSN 1089-5639

Rehaman, Abdul ; Datta, Ayan ; Mallajosyula, Sairam S. ; Pati, Swapan K. (2006) Quantifying aromaticity at the molecular and supramolecular limits: comparing homonuclear, heteronuclear, and H-bonded systems Journal of Chemical Theory and Computation, 2 (1). pp. 30-36. ISSN 1549-9618

Mohan, P. J. ; Datta, Ayan ; Mallajosyula, Sairam S. ; Pati, Swapan K. (2006) Structures of nucleobases trapped within Au triangles and its effects on hydrogen bonding in base pairs of DNA The Journal of Physical Chemistry B, 110 (37). pp. 18661-18664. ISSN 1089-5647

Mallajosyula, Sairam S. ; Datta, Ayan ; Pati, Swapan K. (2005) Structure and electronic properties of the Watson-Crick base pairs: role of hydrogen bonding Synthetic Metals, 155 (2). pp. 398-401. ISSN 0379-6779