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Puranik, Mrinalini and Chandrasekhar, Jayaraman and Snijders, Jaap G and Umapathy, Siva (2001) Time-Resolved Resonance Raman and Density Functional Studies on the Ground State and Short-Lived Intermediates of Tetrabromo-p-benzoquinone. In: Journal of Physical Chemistry A, 105 (46). pp. 10562-10569.
Puranik, Mrinalini and Umapathy, Siva and Snijders, Jaap G and Chandrasekhar, Jayaraman (2001) Structure of the triplet excited state of bromanil from time-resolved resonance Raman spectra and simulation. In: Journal of Chemical Physics, 115 (13). pp. 6106-6114.
Mishra, Hirdyesh and Joshi, Hem Chandra and Tripathi, Hira Ballabh and Maheshwary, Shruti and Sathyamurthy, Narayanasami and Panda, Manoranjan and Chandrasekhar, Jayaraman (2001) Photoinduced proton transfer in 3-hydroxy-2-naphthoic acid. In: Journal Of Photochemistry And Photobiology A-Chemistry, 139 (1). pp. 23-36.
Chandrasekhar, Jayaraman and Saunders, Martin and Jorgensen, William L (2001) Efficient Exploration of Conformational Space Using the Stochastic Search Method: Application to \beta -Peptide Oligomers. In: Journal of Computational Chemistry, 22 (14). pp. 1646-1654.
Shailaja, J and Sivaguru, J and Robbins, Rebecca J and Ramamurthy, V and Sunoj, RB and Chandrasekhar, Jayaraman (2000) Singlet Oxygen Mediated Oxidation of Olefins within Zeolites: Selectivity and Complexities. In: Tetrahedron, 56 (36). pp. 6927-6943.
Jagadeesh, Mavinahalli N and Makur, Anindita and Chandrasekhar, Jayaraman (2000) The Interplay of Angle Strain and Aromaticity: Molecular and Electronic Structures of [0(n)]Paracyclophanes. In: Journal of Molecular Modeling, 6 (2). pp. 226-233.
Ganesh, Raj PS and Chanda, Baron and Gupta, SK and Mathew, MK and Chandrasekhar, Jayaraman (2000) Modeling of Ion Permeation in Calcium and Sodium Channel Selectivity Filters. In: Proteins: Structure, Function, and Genetics, 38 (4). pp. 384-392.
Maheshwari, Shruti and Chowdhury, Arindam and Sathyamurthy, Narayanasami and Mishra, Hirdyesh and Tripathi, HB and Panda, Manoranjan and Chandrasekhar, Jayaraman (1999) Ground and Excited State Intramolecular Proton Transfer in Salicylic Acid: an Ab Initio Electronic Structure Investigation. In: The Journal of Physical Chemistry, 103 (31). pp. 6257-6262.
Jagadeesh, Mavinahalli N and Chandrasekhar, Jayaraman (1999) Computational studies on $C_{36}$ and its dimer. In: Chemical Physics Letters, 305 (3-4). pp. 298-302.
Mehta, Goverdhan and Chandrasekhar, Jayaraman (1999) Electronic Control of Facial Selection in Additions to Sterically Unbiased Ketones and Olefins. In: Chemical Reviews, 99 (5). pp. 1437-1467.
Panda, Manoranjan and Chandrasekhar, Jayaraman (1998) Exploiting the helical motif for enhanced nonlinear optical response: Hyperpolarizability of substituted m-phenylene oligomers. In: Journal of American Chemical Society, 121 (51). pp. 13517-13518.
Samanta, Uttamkumar and Chakrabarti, Pinak and Chandrasekhar, Jayaraman (1998) Ab initio study of energetics of X-H center dot center dot center dot pi (X = N, O, and C) interactions involving a heteroaromatic ring. In: Journal of Physical Chemistry A, 102 (45). pp. 8964-8969.
Bera, Jitendra K and Samuelson, Ashoka G and Chandrasekhar, Jayaraman (1998) Ab initio study of structures, energetics, and bonding in formally high-oxidation-state copper organometallics. In: Organometallics, 17 (19). pp. 4136-4145.
Mehta, Goverdhan and Uma, R and Jagadeeshb, MN and Chandrasekhar, Jayaraman (1998) New paradigms in cycloaddition face-selectivities: remarkable effect of remote substituents in singlet oxygen addition to hexacyclo$[7.5.1.0^{1,6}.0^{6,13}.0^{8,12}.0^{10,14}]$pentadeca-2,4-diene system. In: Chemical Communication (17). pp. 1813-1814.
Mehta, Goverdhan and Ravikrishna, Chebolu and Kalyanaraman, Pattabiraman and Chandrasekhar, Jayaraman (1998) Nucleophilic additions to 4-substituted snoutanones: getting a measure of long range electrostatic and orbital control of pi-face selectivity. In: Perkin Transactions 1 (12). pp. 1895-1897.
Mehta, Goverdhan and Ravikrishna, Chebolu and Ravikrishna, Chebolu and Gadre, Shridhar R and Suresh, CH and Kalyanaraman, P and Chandrasekhar, Jayaraman (1998) Face selectivity in electrophilic additions to methylenenorsnoutanes: relative importance of through-space, through-bond and electrostatic interactions. In: Chemical Communication (09). pp. 975-976.
Pramanik, Animesh and Chandrasekhar, Jayaraman (1996) Analysis of geometric and strain effects in homo-Diels-Alder reactions. In: Proceedings of the Indian Academy of Sciences - Chemical Sciences, 108 (5). pp. 459-468.
Ramkumar, Dhruva and Kalpana, Mahadevan and Varghese, Babu and Sankararaman, Sethuraman and Jagadeesh, Mavinahalli N and Chandrasekhar, Jayaraman (1996) Cyclization of enediyne radical cations through chemical, photochemical, and electrochemical oxidation: The role of state symmetry. In: Journal of Organic Chemistry, 61 (6). pp. 2247-2249.
Dixit, Arun N and Reddy, Venodhar K and Deshmukh, Abdul Rakeeb AS and Rajappa, Srinivasachari and Ganguly, Bishwajit and Chandrasekhar, Jayaraman (1995) Conformational preferences of α-functionalised keten-S,N-acetals: Potential role of SO and SS interactions in solution. In: Tetrahedron, 51 (5). pp. 1437-1448.
Rathna, A and Chandrasekhar, Jayaraman (1995) Structures, Stabilities and Strain in C60 and C70 Derivatives Fullerenes, Nanotubes and Carbon Nanostructures. In: Fullerene Science and Technology, 3 (6). pp. 681-705.
Schleyer, Paul VR and Jiao, Haijun and Glukhovtsev, Mikhail N and Chandrasekhar, Jayaraman and Kraka, Elfi (1994) Double Aromaticity in the 3,5-Dehydrophenyl Cation and in Cyclo[6]carbon. In: Journal of the American Chemical Society, 116 (22). 10129-10134 .
Rathna, A and Chandrasekhar, Jayaraman (1994) Resilience of the fullerene cage: analysis of distortions in computed structures of fullerene derivatives. In: Journal of Molecular Structure, 327 (2-3). pp. 255-263.
Balasubramanian, KK and Ramesh,, NG and Pramanik, A and Chandrasekhar, Jayaraman (1994) Aromatic claisen rearrangements in carbohydrates: stereocontrol of rearrangement rates in unsaturated sugar substrates. In: Perkin Transactions 2 (7). 1399 -1401.
Mehta, Goverdhan and Khan, Faiz Ahmed and Gadre, Shridhar R and Shirsat, Rajendra N and Ganguly, Bishwajit and Chandrasekhar, Jayaraman (1994) Electrostatic vs. Orbital Control of Facial Selectivities in \pi Systems: Experimental and Theoretical Study of Electrophilic Additions to 7-Isopropylidenenorbornanes. In: Angewandte Chemie International Edition in English, 33 (13). pp. 1390-1392.
Abraham, Santosh P and Samuelson, Ashoka G and Chandrasekhar, Jayaraman (1993) Variations in the copper(I)-copper(I) distances in multinuclear clusters with identical coordination geometries. Short metal-metal contacts induced by oligomerization. In: Inorganic Chemistry, 32 (26). pp. 6107-6111.
Murugavel, Ramaswamy and Krishnamurthy, Setharampattu and Chandrasekhar, Jayaraman and Nethaji, Munirathinam (1993) Syntheses, spectroscopy, structures, and conformations of .lambda.3-cyclotriphosphazanes: role of negative hyperconjugation. In: Inorganic Chemistry, 32 (24). 5447 -5453.
Schleyer, Paul von Ragué and Maslak, Przemyslaw and Chandrasekhar, Jayaraman and Grev, Roger S (1993) Is a CImage C quadruple bond possible? In: Tetrahedron Letters, 34 (40). pp. 6387-6390.
Jain, Monika and Chandrasekhar, Jayaraman (1993) Comparative Theoretical Evaluation of Hyperpolarizabilities of Push-Pull Polyenes and Polyynes. The Important Role of Configuration Mixing in the Excited States. In: Journal of Physical Chemistry, 97 (16). pp. 4044-4049.
Rathna, A and Chandrasekhar, Jayaraman (1993) Theoretical study of hydrogenated buckminsterfullerene derivatives with benzenoid rings, $C_{60}H_{60 - 6n}$ (n= 1–8). In: Chemical Physics Letters, 206 (1-4). pp. 217-224.
Ganguly, Bishwajit and Chandrasekhar, Jayaraman and Khan, Faiz Ahmed and Mehta, Goverdhan (1993) A simple computational model for predicting .pi.-facial selectivity in reductions of sterically unbiased ketones. Relative importance of electrostatic and orbital interactions. In: Journal of Organic Chemistry, 58 (7). pp. 1734-1739.
Chakrabarti, Aparna and Albert, IDL and Ramasesha, S and Lalitha, S and Chandrasekhar, Jayaraman (1993) Is tetramethyleneethane a ground state triplet? In: Proceedings of the Indian Academy of Sciences - Chemical Sciences, 105 (1). pp. 53-62.
Rathna, A and Chandrasekhar, Jayaraman (1993) MNDO study of vicinal dihydrides of $C_{70}$: interpretation of relative stability on the basis of electronic and molecular structures. In: Current Science, 65 (10). pp. 768-771.
Chandrasekhar, Jayaraman and Das, Puspendu Kumar (1992) Band Structures and Molecular Properties of Polymers from Finite Cluster Calculations with Cyclic Periodic Boundary Conditions. In: Journal of Physical Chemistry, 96 (2). pp. 679-685.
Mehta, Goverdhan and Reddy, Raja K and Gleiter, Rolf and Lalitha, S and Chandrasekhar, Jayaraman (1991) Roofed polyquinanes: synthesis and electronic structure. In: Journal of Organic Chemistry, 56 (25). 7048 -7055.
Rathna, Ananthaiah and Chandrasekhar, Jayaraman (1991) The influence of lone-pair repulsions on C–C bond lengths: a critical evaluation of the experimental and theoretical evidence. In: Perkin Transactions 2 (11). pp. 1661-1666.
Rathna, A and Chandrasekhar, Jayaraman (1991) MNDO study of coupled strained hydrocarbons: Additivity of exocyclic C---C bond contraction induced by different ring systems. In: Journal of Molecular Structure: THEOCHEM, 74 . 249 -258.
Lalitha, S and Chandrasekhar, Jayaraman and Mehta, Goverdhan (1990) Acceleration of Cope rearrangement by a remote carbenium ion center: theoretical elucidation of the electronic origin. In: Journal of Organic Chemistry, 55 (11). pp. 3455-3457.
Mehta, Goverdhan and Padma, S and Pattabhi, Vasantha and Pramanik, Animesh and Chandrasekhar, Jayaraman (1990) pi.-Facial selectivities in cycloadditions to norbornyl- and norbornenyl-fused p-benzoquinones. In: Journal of the American Chemical Society, 112 (8). pp. 2942-2949.
Narasimhamurthy, N and Manohar, H and Samuelson, Ashoka G and Chandrasekhar, Jayaraman (1990) Cumulative anomeric effect: a theoretical and X-ray diffraction study of orthocarbonates. In: Journal of American Chemical Society, 112 (8). pp. 2937-2941.
Sudhakara, Pamidighantam V and Chandrasekhar, Jayaraman (1989) Geometry changes induced by negative hyperconjugative interactions involving carbonyl and thiocarbonyl groups. In: Journal of Molecular Structure, 194 . pp. 135-147.
Rao, Varanasi Pushkara and Chandrasekhar, Jayaraman and Ramamurthy, Vaidhyanathan (1988) Thermal and photochemical cycloaddition reactions of thiocarbonyls: a qualitative molecular orbital analysis. In: Perkin Transactions 2 (5). pp. 647-659.
Rao, Bantu Nageshwer and Chandrasekhar, Jayaraman and Ramamurthy, Vaidhyanathan (1988) Photochemical, photophysical, and theoretical studies on cyclobutanethiones..alpha.-Cleavage reactions. In: Journal of Organic Chemistry, 53 (4). pp. 745-751.
Reed, AE and Schade, C and Schleyer, PV and Kamath, PV and Chandrasekhar, Jayaraman (1988) Anomeric Effects Involving Silicon Centers - Silanols. In: Journal of the Chemical Society - Series Chemical Communications (1). 67 -69.
Pius, Kuruvilla and Chandrasekhar, Jayaraman (1988) Towards stable distonic radical anions: A theoretical study. In: Journal of the Chemical Society, Perkin Transactions II (7). pp. 1291-1295.
Usha, G and Rao, BNageswer and Chandrasekhar, Jayaraman and Ramamurthy, V (1986) The Origin of Regioselectivity in a-Cleavage Reactions of Cyclopropenethiones: Potential Role of Pseudo-Jahn-Teller Effect in Substituted Cyclopropenyl Systems. In: Journal of Organic Chemistry, 51 (19). pp. 3630-3635.
Schleye, Paul von Rague and Spitznagel, Gunther H and Chandrasekhar, Jayaraman (1986) The ethyl, 1- and 2-propyl, and other simple alky carbanions do not exist. In: Tetrahedron Letters, 27 (37). 4411 -4414.
Jen, Alex KY and Rao, Varanasi Pushkara and Chandrasekhar, Jayaraman (1995) Highly Efficient and Thermally Stable Second-Order Nonlinear Optical Chromophores and Electrooptic Polymers. In: ACS Symposium Series (American Chemical Society), 601 . pp. 147-157.
Mehta, Goverdhan and Reddy, Hari Krishna S and Pattabhi, Vasantha and Bhanumathi, S and Pramanik, Animesh and Chandrasekhar, Jayaraman (1993) Stereoelectronic control of Cope rearrangement energetics through remote double bonds in novel, rigid polycyclic frames. In: Perkin Transactions 1 (14). pp. 1539-1541.
Pius, Kuruvilla and Chandrasekhar, Jayaraman (1989) Stability of silicon-based distonic radical cations. In: International Journal of Mass Spectrometry and Ion Processes, 87 (1). R15-R18.
Chandrasekhar, Jayaraman (1988) Novel Electronic Effects In Radicals And Radical Ions. In: Current Science (Bangalore), 57 (3). p. 136.
