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Results: 15
The role of heteroatom substitution in the rigidity and curvature of buckybowls. A theoretical study
Authors:
Sastry, GN
Priyakumar, UD
Citation: Gn. Sastry et Ud. Priyakumar, The role of heteroatom substitution in the rigidity and curvature of buckybowls. A theoretical study, J CHEM S P2, (1), 2001, pp. 30-40
Authors:
Priyakumar, UD
Sastry, GN
Citation: Ud. Priyakumar et Gn. Sastry, First ab initio and density functional study on the structure, bowl-to-bowl inversion barrier, and vibrational spectra of the elusive C-3v-symmetric buckybowl: Sumanene, C21N12, J PHYS CH A, 105(18), 2001, pp. 4488-4494
Authors:
Dinadayalane, TC
Priyakumar, UD
Sastry, GN
Citation: Tc. Dinadayalane et al., Theoretical studies on the effect of sequential benzannulation to corannulene, J MOL ST-TH, 543, 2001, pp. 1-10
Authors:
Priyakumar, UD
Sastry, GN
Citation: Ud. Priyakumar et Gn. Sastry, Theory provides a clue to accomplish the synthesis of sumanene, C21H12, the prototypical C-3v-buckybowl, TETRAHEDR L, 42(7), 2001, pp. 1379-1381
Authors:
Mehta, G
Singh, SR
Gagliardini, V
Priyakumar, UD
Sastry, GN
Citation: G. Mehta et al., The bicyclo[2.1.1]hexan-2-one system: a new probe for the experimental andcomputational study of electronic effects in pi-facial selectivity in nucleophilic additions, TETRAHEDR L, 42(48), 2001, pp. 8527-8530
Authors:
Dinadayalane, TC
Sastry, GN
Citation: Tc. Dinadayalane et Gn. Sastry, Synthetic strategies toward buckybowls and C-60: benzannulation is remarkably facile compared to cyclopentannulation, TETRAHEDR L, 42(36), 2001, pp. 6421-6423
Authors:
Priyakumar, UD
Sastry, GN
Citation: Ud. Priyakumar et Gn. Sastry, Heterobuckybowls: A theoretical study on the structure, bowl-to-bowl inversion barrier, bond length alternation, structure-inversion barrier relationship, stability, and synthetic feasibility, J ORG CHEM, 66(20), 2001, pp. 6523-6530
Authors:
Sastry, GN
Citation: Gn. Sastry, A revised look at pi-electron delocalization in benzene, CURRENT SCI, 81(10), 2001, pp. 1288-1290
Authors:
Priyakumar, UD
Dinadayalane, TC
Sastry, GN
Citation: Ud. Priyakumar et al., An ab initio and DFT study of the valence isomers of pyridine, CHEM P LETT, 337(4-6), 2001, pp. 361-367
Authors:
Priyakumar, UD
Dinadayalane, TC
Sastry, GN
Citation: Ud. Priyakumar et al., Structures, energetics and vibrational spectra of the valence isomers of phosphinine. An ab initio and DFT study, CHEM P LETT, 336(3-4), 2001, pp. 343-348
Authors:
Sastry, GN
Rao, HSP
Bednarek, P
Priyakumar, UD
Citation: Gn. Sastry et al., Effect of substitution on the curvature and bowl-to-bowl inversion barrierof bucky-bowls. Study of mono-substituted corannulenes (C19XH10, X = B-, N+, P+ and Si), CHEM COMMUN, (10), 2000, pp. 843-844
Authors:
Bally, T
Bernhard, S
Matzinger, S
Roulin, JL
Sastry, GN
Truttmann, L
Zhu, ZD
Marcinek, A
Adamus, J
Kaminski, R
Gebicki, J
Williams, F
Chen, GF
Fulscher, MP
Citation: T. Bally et al., The radical cation of syn-tricyclooctadiene and its rearrangement products, CHEM-EUR J, 6(5), 2000, pp. 858-868
Authors:
Priyakumar, UD
Sastry, GN
Citation: Ud. Priyakumar et Gn. Sastry, Structure, stability and reactivity parameters of (CH)(8) isomers and their cation and anion radical counterparts: A theoretical study, I J CHEM A, 39(1-3), 2000, pp. 92-99
Authors:
Priyakumar, UD
Sastry, GN
Citation: Ud. Priyakumar et Gn. Sastry, Structures, energetics, relative stabilities, and out-of-plane distortivities of skeletally disubstituted benzenes, (CH)(4)X-2 (X = N, P, C-, Si-, O+, and S+): An ab initio and DFT study, J AM CHEM S, 122(45), 2000, pp. 11173-11181
Authors:
Barone, V
Rega, N
Bally, T
Sastry, GN
Citation: V. Barone et al., Ring-opening reaction of cyclobutene radical cation: Effect of solvent on competing pathways, J PHYS CH A, 103(2), 1999, pp. 217-219
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