Items where Author is "Vijay, Dolly"

Article

Hussain, M. Althaf ; Vijay, Dolly ; Sastry, G. Narahari (2016) Buckybowls as adsorbents for CO₂, CH₄, and C₂H₂: binding and structural insights from computational study Journal of Computational Chemistry, 37 (3). pp. 366-377. ISSN 0192-8651

Varathan, E. ; Vijay, Dolly ; Subramanian, V. (2016) Quantum chemical design of carbazole- and pyridoindole-based ambipolar host materials for blue phosphorescent OLEDs RSC Advances, 6 (78). pp. 74769-74784. ISSN 2046-2069

Varathan, E. ; Vijay, Dolly ; Subramanian, V. (2014) Rational design of carbazole- and carboline-based ambipolar host materials for blue electrophosphorescence: a density functional theory study The Journal of Physical Chemistry C, 118 (38). pp. 21741-21754. ISSN 1932-7447

Varathan, E. ; Vijay, Dolly ; Vinod Kumar, P. Shyam ; Subramanian, V. (2013) Computational design of high triplet energy host materials for phosphorescent blue emitters Journal of Materials Chemistry C, 1 (27). pp. 4261-4274. ISSN 2050-7526

Vijay, Dolly ; Varathan, E. ; Subramanian, V. (2013) Theoretical design of core modified (oxa and thia) porphyrin based organic dyes with bridging thiophene linkers Journal of Materials Chemistry A, 1 (13). pp. 4358-4369. ISSN 2050-7488

Purushotham, Uppula ; Vijay, Dolly ; Sastry, G. Narahari (2012) A computational investigation and the conformational analysis of dimers, anions, cations, and zwitterions of L-phenylalanine Journal of Computational Chemistry, 33 (1). pp. 44-59. ISSN 0192-8651

Vijay, Dolly ; Sakurai, Hidehiro ; Subramanian, V. ; Sastry, G. Narahari (2012) Where to bind in buckybowls? The dilemma of a metal ion Physical Chemistry Chemical Physics, 14 (9). p. 3057. ISSN 1463-9076

Vijay, Dolly ; Sakurai, Hidehiro ; Subramanian, V. ; Sastry, G. Narahari (2012) Where to bind in buckybowls? The dilemma of a metal ion Physical Chemistry Chemical Physics, 14 (9). pp. 3057-3065. ISSN 1463-9076

Kumar, R. Mahesh ; Elango, M. ; Parthasarathi, V. ; Vijay, Dolly ; Subramanian, V. (2012) The role C-H... π interaction in the stabilization of benzene and adamantane clusters Journal of Chemical Sciences, 124 (1). pp. 193-202. ISSN 0253-4134

Premkumar, J. Richard ; Vijay, Dolly ; Sastry, G. Narahari (2012) The significance of the alkene size and the nature of the metal ion in metal–alkene complexes: a theoretical study Dalton Transactions, 41 (16). pp. 4965-4975. ISSN 1477-9226

Vijay, Dolly ; Sakurai, Hidehiro ; Sastry, G. Narahari (2011) The impact of basis set superposition error on the structure of π-π dimers International Journal of Quantum Chemistry, 111 (9). pp. 1893-1901. ISSN 0020-7608

Vijay, Dolly ; Sastry, G. Narahari (2010) The cooperativity of cation–π and π–π interactions Chemical Physics Letters, 485 (1-3). pp. 235-242. ISSN 0009-2614

Vijay, Dolly ; Sastry, G. Narahari (2008) Exploring the size dependence of cyclic and acyclic π-systems on cation–π binding Physical Chemistry Chemical Physics, 10 (4). pp. 582-590. ISSN 1463-9076

Vijay, Dolly ; Zipse, Hendrik ; Sastry, G. Narahari (2008) On the cooperativity of cation−π and hydrogen bonding interactions The Journal of Physical Chemistry B, 112 (30). pp. 8863-8867. ISSN 1520-6106

Karle, Isabella L. ; Venkateshwarlu, Punna ; Nagaraj, Ramakrishnan ; Sarma, Akella V. S. ; Vijay, Dolly ; Sastry, Narahari G. ; Ranganathan, Subramania (2007) Diphenic acid as a general conformational lock in the design of bihelical structures Chemistry: A European Journal, 13 (15). pp. 4253-4263. ISSN 0947-6539

Chandrasekhar, S. ; Saritha, B. ; Jagadeshwar, V. ; Narsihmulu, Ch. ; Vijay, Dolly ; Dattatreya Sarma, G. ; Jagadeesh, B. (2006) Hydroxy-assisted catalyst-free Michael addition-dehydroxylation of Baylis-Hillman adducts in poly(ethylene glycol) Tetrahedron Letters, 47 (17). pp. 2981-2984. ISSN 0040-4039

Reddy, A. Srinivas ; Vijay, Dolly ; Sastry, G. Madhavi ; Sastry, G. Narahari (2006) From subtle to substantial: role of metal ions on π−π interactions The Journal of Physical Chemistry B, 110 (6). pp. 2479-2481. ISSN 1520-6106

Vijay, Dolly ; Sastry, G. Narahari (2006) A computational study on Π and σ modes of metal ion binding to heteroaromatics (CH)_5-mX_m and (CH)_6-mX_m (X = N and P): contrasting preferences between nitrogen- and phosphorous-substituted rings The Journal of Physical Chemistry A, 110 (33). pp. 10148-10154. ISSN 1089-5639

Vijay, Dolly ; Sastry, G. Narahari (2005) Peculiar basis set dependence of the energetics of C₂S₂H₂2 isomers. In search of adequate and affordable basis set for routine calculations Journal of Molecular Structure: THEOCHEM, 732 (1-3). pp. 71-78. ISSN 0166-1280

Vijay, Dolly ; Sastry, G. Narahari (2005) Relative energies of C₂O₂H₂ isomers and their ionized counterparts: possibility of bond stretch isomerism Journal of Molecular Structure: Theochem, 714 (2-3). pp. 199-207. ISSN 0166-1280

Chandrasekhar, S. ; Jagadeshwar, V. ; Narsihmulu, Ch. ; Sarangapani, M. ; Krishna, D. R. ; Vidyasagar, J. ; Vijay, Dolly ; Narahari Sastry, G. (2004) Design, synthesis and cytotoxic studies on the simplified oxy analog of eleutherobin Bioorganic & Medicinal Chemistry Letters, 14 (14). pp. 3687-3689. ISSN 0960-894X

Vijay, Dolly ; Priyakumar, U. Deva ; Sastry, G. Narahari (2004) Basis set and method dependence of the relative energies of C₂S₂H₂ isomers Chemical Physics Letters, 383 (1-2). pp. 192-197. ISSN 0009-2614