| Year |
Citation |
Score |
| 2010 |
Uppili S, Takagi S, Sunoj RB, Lakshminarasimhan P, Chandrasekhar J, Ramamurthy V. ChemInform Abstract: Controlling the Reactive State Through Cation Binding: Photochemistry of Enones within Zeolites. Cheminform. 32: no-no. DOI: 10.1002/CHIN.200124051 |
0.493 |
|
| 2003 |
Ramamurthy V, Shailaja J, Kaanumalle LS, Sunoj RB, Chandrasekhar J. Controlling chemistry with cations: photochemistry within zeolites. Chemical Communications. 9: 1987-1999. PMID 12934881 DOI: 10.1039/B212741E |
0.591 |
|
| 2003 |
Guimarães CR, Repasky MP, Chandrasekhar J, Tirado-Rives J, Jorgensen WL. Contributions of conformational compression and preferential transition state stabilization to the rate enhancement by chorismate mutase. Journal of the American Chemical Society. 125: 6892-9. PMID 12783541 DOI: 10.1021/Ja021424R |
0.484 |
|
| 2003 |
Repasky MP, Guimarães CR, Chandrasekhar J, Tirado-Rives J, Jorgensen WL. Investigation of solvent effects for the Claisen rearrangement of chorismate to prephenate: mechanistic interpretation via near attack conformations. Journal of the American Chemical Society. 125: 6663-72. PMID 12769575 DOI: 10.1021/Ja021423Z |
0.509 |
|
| 2003 |
Shailaja J, Lakshminarasimhan PH, Pradhan AR, Sunoj RB, Jockusch S, Karthikeyan S, Uppili S, Chandrasekhar J, Turro NJ, Ramamurthy V. Alkali Ion-Controlled Excited-State Ordering of Acetophenones Included in Zeolites: Emission, Solid-State NMR, and Computational Studies† The Journal of Physical Chemistry A. 107: 3187-3198. DOI: 10.1021/Jp0265586 |
0.562 |
|
| 2003 |
Ramamurthy V, Shailaja J, Kaanumalle LS, Sunoj RB, Chandrasekhar J. Controlling Chemistry with Cations: Photochemistry within Zeolites. Cheminform. 34. DOI: 10.1002/CHIN.200343228 |
0.481 |
|
| 2002 |
Sudha R, Panda M, Chandrasekhar J, Balaram P. Structural effects on the formation of proton and alkali metal ion adducts of apolar, neutral peptides: electrospray ionization mass spectrometry and Ab initio theoretical studies. Chemistry (Weinheim An Der Bergstrasse, Germany). 8: 4980-91. PMID 12487135 DOI: 10.1002/1521-3765(20021104)8:21<4980::Aid-Chem4980>3.0.Co;2-M |
0.309 |
|
| 2002 |
Kaanumalle LS, Sivaguru J, Sunoj RB, Lakshminarasimhan PH, Chandrasekhar J, Ramamurthy V. Light-induced geometric isomerization of 1,2-diphenylcyclopropanes included within Y zeolites: role of cation-guest binding. The Journal of Organic Chemistry. 67: 8711-20. PMID 12467381 DOI: 10.1021/Jo026137K |
0.559 |
|
| 2002 |
Repasky MP, Chandrasekhar J, Jorgensen WL. PDDG/PM3 and PDDG/MNDO: improved semiempirical methods. Journal of Computational Chemistry. 23: 1601-22. PMID 12395428 DOI: 10.1002/Jcc.10162 |
0.503 |
|
| 2002 |
Repasky MP, Chandrasekhar J, Jorgensen WL. Improved semiempirical heats of formation through the use of bond and group equivalents. Journal of Computational Chemistry. 23: 498-510. PMID 11908087 DOI: 10.1002/Jcc.10023 |
0.487 |
|
| 2002 |
Chandrasekhar J, Shariffskul S, Jorgensen WL. QM/MM Simulations for Diels−Alder Reactions in Water: Contribution of Enhanced Hydrogen Bonding at the Transition State to the Solvent Effect† The Journal of Physical Chemistry B. 106: 8078-8085. DOI: 10.1021/Jp020326P |
0.514 |
|
| 2002 |
Lakshminarasimhan PH, Sunoj RB, Karthikeyan S, Chandrasekhar J, Johnston LJ, Ramamurthy V. Direct and sensitized (energy and electron transfer) geometric isomerization of stilbene within zeolites: A comparison between solution and zeolite as reaction media Journal of Photochemistry and Photobiology a: Chemistry. 153: 41-53. DOI: 10.1016/S1010-6030(02)00300-3 |
0.58 |
|
| 2001 |
Puranik M, Umapathy S, Snijders JG, Chandrasekhar J. Structure of the triplet excited state of bromanil from time-resolved resonance Raman spectra and simulation Journal of Chemical Physics. 115: 6106-6114. DOI: 10.1063/1.1398304 |
0.304 |
|
| 2001 |
Puranik M, Chandrasekhar J, Snijders JG, Umapathy S. Time-resolved resonance Raman and density functional studies on the ground state and short-lived intermediates of tetrabromo-p-benzoquinone Journal of Physical Chemistry A. 105: 10562-10569. DOI: 10.1021/Jp0104987 |
0.312 |
|
| 2001 |
Mishra H, Joshi HC, Tripathi HB, Maheshwary S, Sathyamurthy N, Panda M, Chandrasekhar J. Photoinduced proton transfer in 3-hydroxy-2-naphthoic acid Journal of Photochemistry and Photobiology a: Chemistry. 139: 23-36. DOI: 10.1016/S1010-6030(00)00415-9 |
0.33 |
|
| 2001 |
Uppili S, Takagi S, Sunoj RB, Lakshminarasimhan P, Chandrasekhar J, Ramamurthy V. Controlling the reactive state through cation binding: photochemistry of enones within zeolites Tetrahedron Letters. 42: 2079-2083. DOI: 10.1016/S0040-4039(01)00100-9 |
0.584 |
|
| 2001 |
Puranik M, Chandrasekhar J, Umapathy S. Structure of the triplet excited state of tetrabromo-p-benzoquinone from time-resolved resonance Raman spectra and ab initio calculations Chemical Physics Letters. 337: 224-230. DOI: 10.1016/S0009-2614(01)00184-1 |
0.311 |
|
| 2001 |
Chandrasekhar J, Saunders M, Jorgensen WL. Efficient exploration of conformational space using the stochastic search method: application to ?-peptide oligomers Journal of Computational Chemistry. 22: 1646-1654. DOI: 10.1002/Jcc.1120 |
0.503 |
|
| 2001 |
Sunoj RB, Lakshminarasimhan P, Ramamurthy V, Chandrasekhar J. Configuration interaction and density functional study of the influence of lithium cation complexation on vertical and adiabatic excitation energies of enones Journal of Computational Chemistry. 22: 1598-1604. DOI: 10.1002/Jcc.1113 |
0.59 |
|
| 2000 |
Thomas KJ, Sunoj RB, Chandrasekhar J, Ramamurthy V. Cation-π-interaction promoted aggregation of aromatic molecules and energy transfer within Y zeolites Langmuir. 16: 4912-4921. DOI: 10.1021/La991654S |
0.598 |
|
| 2000 |
Lakshminarasimhan P, Sunoj RB, Chandrasekhar J, Ramamurthy V. Cation−π Interaction Controlled Selective Geometric Photoisomerization of Diphenylcyclopropane Journal of the American Chemical Society. 122: 4815-4816. DOI: 10.1021/Ja000138H |
0.548 |
|
| 2000 |
Shailaja J, Sivaguru J, Robbins RJ, Ramamurthy V, Sunoj R, Chandrasekhar J. Singlet Oxygen Mediated Oxidation of Olefins within Zeolites: Selectivity and Complexities Tetrahedron. 56: 6927-6943. DOI: 10.1016/S0040-4020(00)00513-5 |
0.602 |
|
| 2000 |
Jagadeesh MN, Makur A, Chandrasekhar J. The Interplay of Angle Strain and Aromaticity: Molecular and Electronic Structures of [0 n ]Paracyclophanes Journal of Molecular Modeling. 6: 226-233. DOI: 10.1007/S0089400060226 |
0.3 |
|
| 2000 |
Shailaja J, Sivaguru J, Robbins RJ, Ramamurthy V, Sunoj RB, Chandrasekhar J. ChemInform Abstract: Singlet Oxygen Mediated Oxidation of Olefins within Zeolites: Selectivity and Complexities. Cheminform. 31: no-no. DOI: 10.1002/CHIN.200049059 |
0.469 |
|
| 1999 |
Mehta G, Chandrasekhar J. Electronic control of facial selection in additions to sterically unbiased ketones and olefins. Chemical Reviews. 99: 1437-1467. PMID 11749452 DOI: 10.1021/Cr980369V |
0.309 |
|
| 1999 |
Maheshwari S, Chowdhury A, Sathyamurthy N, Mishra H, Tripathi HB, Panda M, Chandrasekhar J. Ground and Excited State Intramolecular Proton Transfer in Salicylic Acid: an Ab Initio Electronic Structure Investigation The Journal of Physical Chemistry A. 103: 6257-6262. DOI: 10.1021/Jp9911999 |
0.335 |
|
| 1999 |
Moorthy JN, Monahan SL, Sunoj RB, Chandrasekhar J, Bohne C. Modulation of lifetimes and diastereomeric discrimination in triplet- excited substituted butane-1,4-diones through intramolecular charge-transfer quenching Journal of the American Chemical Society. 121: 3093-3103. DOI: 10.1021/Ja9818708 |
0.555 |
|
| 1999 |
Jagadeesh MN, Chandrasekhar J. Computational studies on C36 and its dimer Chemical Physics Letters. 305: 298-302. DOI: 10.1016/S0009-2614(99)00387-5 |
0.319 |
|
| 1999 |
Jacob R, Puranik M, Chandrasekhar J. Isotope effects on the equilibrium of p-benzoquinone and its radical anion: ab initio and DFT studies Chemical Physics Letters. 301: 498-502. DOI: 10.1016/S0009-2614(99)00027-5 |
0.316 |
|
| 1998 |
Mehta G, Ravikrishna C, Kalyanaraman P, Chandrasekhar J. Nucleophilic additions to 4-substituted snoutanones: getting a measure of long range electrostatic and orbital control of π-face selectivity Journal of the Chemical Society-Perkin Transactions 1. 1895-1898. DOI: 10.1039/A802254B |
0.303 |
|
| 1998 |
Mehta G, Ravikrishna C, Gadre SR, Suresh CH, Kalyanaraman P, Chandrasekhar J. Face selectivity in electrophilic additions to methylenenorsnoutanes: relative importance of through-space, through-bond and electrostatic interactions Chemical Communications. 975-976. DOI: 10.1039/A802089B |
0.327 |
|
| 1998 |
Bera JK, Samuelson AG, Chandrasekhar J. Ab initio study of structures, energetics, and bonding in formally high-oxidation-state copper organometallics Organometallics. 17: 4136-4145. DOI: 10.1021/Om980373X |
0.321 |
|
| 1998 |
Samanta U, Chakrabarti P, Chandrasekhar J. Ab Initio Study of Energetics of X−H···π (X = N, O, and C) Interactions Involving a Heteroaromatic Ring The Journal of Physical Chemistry A. 102: 8964-8969. DOI: 10.1021/Jp981501Y |
0.38 |
|
| 1998 |
Panda M, Chandrasekhar J. Exploiting the Helical Motif for Enhanced Nonlinear Optical Response: Hyperpolarizability of Substituted m-Phenylene Oligomers Journal of the American Chemical Society. 120: 13517-13518. DOI: 10.1021/Ja9832008 |
0.303 |
|
| 1996 |
Mehta G, Khan FA, Mohal N, Namboothiri INN, Kalyanaraman P, Chandrasekhar J. π-Face selectivities in nucleophilic additions to 2-endo-arylnorbornan-7-ones: the role of through-space electrostatic interactions Journal of the Chemical Society-Perkin Transactions 1. 2665-2667. DOI: 10.1039/P19960002665 |
0.316 |
|
| 1996 |
Varanasi PR, Jen AKY, Chandrasekhar J, Namboothiri INN, Rathna A. The important role of heteroaromatics in the design of efficient second-order nonlinear optical molecules: Theoretical investigation on push-pull heteroaromatic stilbenes Journal of the American Chemical Society. 118: 12443-12448. DOI: 10.1021/Ja960136Q |
0.323 |
|
| 1996 |
Pius K, Jain M, Chandrasekhar J. Ab initio study of conjugative and negative hyperconjugative interactions in disubstituted radicals Journal of Molecular Structure: Theochem. 361: 191-203. DOI: 10.1016/0166-1280(95)04318-7 |
0.332 |
|
| 1996 |
Salai Cheettu Ammal S, Ananthavel S, Chandrasekhar J, Venuvanalingam P, Hegde M. Electron donor-acceptor complexes of I2 with diethyl ether and diethyl sulphide. An ab initio MO study Chemical Physics Letters. 248: 153-157. DOI: 10.1016/0009-2614(95)01324-5 |
0.341 |
|
| 1995 |
Dixit AN, Venodhar Reddy K, Deshmukh ARA, Rajappa S, Ganguly B, Chandrasekhar J. Conformational preferences of α-functionalised keten-S,N-acetals: Potential role of SO and SS interactions in solution Tetrahedron. 51: 1437-1448. DOI: 10.1016/0040-4020(94)01023-S |
0.333 |
|
| 1995 |
Mohandas P, Shivaglal MC, Chandrasekhar J, Singh S. Ab initio molecular orbital calculations on the associated complexes of lithium cyanide with ammonia International Journal of Quantum Chemistry. 55: 477-484. DOI: 10.1002/Qua.560550606 |
0.326 |
|
| 1994 |
Mehta G, Khan FA, Ganguly B, Chandrasekhar J. π-Facial diastereoselection in reductions of sterically unbiased ketones containing the norbornyl framework: further tests for theoretical models Journal of the Chemical Society-Perkin Transactions 1. 2275-2277. DOI: 10.1039/P29940002275 |
0.327 |
|
| 1994 |
Murugavel R, Kumaravel SS, Krishnamurthy SS, Nethaji M, Chandrasekhar J. Reactions of the hexachlorocyclodiphosphazane [MeNPCl3]2 with primary aromatic amines: formation of highly basic bisphosphinimines Journal of the Chemical Society-Dalton Transactions. 847-852. DOI: 10.1039/Dt9940000847 |
0.31 |
|
| 1994 |
Schleyer PvR, Jiao H, Glukhovtsev MN, Chandrasekhar J, Kraka E. Double Aromaticity in the 3,5-Dehydrophenyl Cation and in Cyclo[6]carbon Journal of the American Chemical Society. 116: 10129-10134. DOI: 10.1021/Ja00101A035 |
0.507 |
|
| 1994 |
Ananthavel S, Salai Cheettu Ammal S, Venuvanalingam P, Chandrasekhar J, Hegde M. Ultraviolet photoelectron spectroscopy of complexes of bromine with n-donors in the vapor phase Chemical Physics Letters. 228: 431-435. DOI: 10.1016/0009-2614(94)00964-3 |
0.36 |
|
| 1994 |
Ananthavel S, Ganguly B, Chandrasekhar J, Hegde M, Rao C. Electron states of benzene…HCl and toluene…HCl hydrogen bonded complexes by ultraviolet photoelectron spectroscopy Chemical Physics Letters. 217: 101-104. DOI: 10.1016/0009-2614(93)E1352-H |
0.353 |
|
| 1993 |
Mehta G, Reddy SHK, Pattabhi V, Bhanumathi S, Pramanik A, Chandrasekhar J. Stereoelectronic control of Cope rearrangement energetics through remote double bonds in novel, rigid polycyclic frames Journal of the Chemical Society-Perkin Transactions 1. 1539-1541. DOI: 10.1039/P19930001539 |
0.319 |
|
| 1993 |
Ganguly B, Chandrasekhar J, Khan FA, Mehta G. A simple computational model for predicting .pi.-facial selectivity in reductions of sterically unbiased ketones. Relative importance of electrostatic and orbital interactions Journal of Organic Chemistry. 58: 1734-1739. DOI: 10.1021/Jo00059A022 |
0.374 |
|
| 1993 |
Mohandas P, Shivaglal M, Singh S, Chandrasekhar J. Ab initio molecular orbital calculations on ion-molecule and ion pair-molecule complexes of the water-lithium cyanide system Journal of Molecular Structure: Theochem. 284: 147-156. DOI: 10.1016/0166-1280(93)87190-O |
0.379 |
|
| 1993 |
Rathna A, Chandrasekhar J. Theoretical study of hydrogenated buckminsterfullerene derivatives with benzenoid rings, C60H60–66n (n= 1–8) Chemical Physics Letters. 206: 217-224. DOI: 10.1016/0009-2614(93)85544-X |
0.328 |
|
| 1993 |
Clark T, Chandrasekhar J. NDDO-based CI methods for the prediction of electronic spectra and sum-over-states molecular hyperpolarization Israel Journal of Chemistry. 33: 435-448. DOI: 10.1002/Ijch.199300050 |
0.459 |
|
| 1992 |
Mehta G, Khan FA, Ganguly B, Chandrasekhar J. Importance of orbital and electrostatic interactions in determining π-facial selectivities in nucleophilic additions to endo-substituted bicyclo[2.2.2]octan-2-ones Journal of the Chemical Society, Chemical Communications. 1711-1712. DOI: 10.1039/C39920001711 |
0.319 |
|
| 1992 |
Kumar VA, Venkatesan K, Ganguly B, Chandrasekhar J, Khan FA, Mehta G. Ground state geometric distortions image distal substituent effects in determining the β-facial selectivity in 7-norbornenones Tetrahedron Letters. 33: 3069-3072. DOI: 10.1016/S0040-4039(00)79602-X |
0.315 |
|
| 1992 |
Schleyer PvR, Kaneti J, Yun-Dong W, Chandrasekhar J. The preference of 1-methylallyl polar organometallics and carbanions for cis rather than for trans geometries Journal of Organometallic Chemistry. 426: 143-157. DOI: 10.1016/0022-328X(92)83041-F |
0.367 |
|
| 1991 |
Rathna A, Chandrasekhar J. The influence of lone-pair repulsions on C–C bond lengths: a critical evaluation of the experimental and theoretical evidence Journal of the Chemical Society-Perkin Transactions 1. 1661-1666. DOI: 10.1039/P29910001661 |
0.357 |
|
| 1991 |
Mehta G, Reddy KR, Gleiter R, Lalitha S, Chandrasekhar J. Roofed polyquinanes: synthesis and electronic structure The Journal of Organic Chemistry. 56: 7048-7055. DOI: 10.1021/Jo00025A019 |
0.489 |
|
| 1991 |
Rathna A, Chandrasekhar J. MNDO study of coupled strained hydrocarbons: Additivity of exocyclic CC bond contraction induced by different ring systems Journal of Molecular Structure: Theochem. 228: 249-258. DOI: 10.1016/0166-1280(91)90061-N |
0.317 |
|
| 1990 |
Pius K, Chandrasekhar J. Remarkably large captodative stabilisation in radical ions Journal of the Chemical Society, Chemical Communications. 41-42. DOI: 10.1039/C39900000041 |
0.319 |
|
| 1990 |
Lalitha S, Chandrasekhar J, Mehta G. Acceleration of cope rearrangement by a remote carbenium ion center: theoretical elucidation of the electronic origin Journal of Organic Chemistry. 55: 3455-3457. DOI: 10.1021/Jo00298A015 |
0.33 |
|
| 1990 |
Mehta G, Padma S, Pattabhi V, Pramanik A, Chandrasekhar J. pi.-Facial selectivities in cycloadditions to norbornyl- and norbornenyl-fused p-benzoquinones Journal of the American Chemical Society. 112: 2942-2949. DOI: 10.1021/Ja00164A016 |
0.309 |
|
| 1990 |
Lalitha S, Chandrasekhar J, Mehta G. Cage geometry controlled hyperstability in bridgehead olefins Tetrahedron Letters. 31: 4219-4222. DOI: 10.1016/S0040-4039(00)97586-5 |
0.34 |
|
| 1989 |
Sudhakar PV, Chandrasekhar J. Geometry changes induced by negative hyperconjugative interactions involving carbonyl and thiocarbonyl groups Journal of Molecular Structure. 194: 135-147. DOI: 10.1016/0022-2860(89)80076-6 |
0.348 |
|
| 1988 |
Pius K, Chandrasekhar J. Towards stable distonic radical anions: a theoretical study Journal of the Chemical Society-Perkin Transactions 1. 1291-1295. DOI: 10.1039/P29880001291 |
0.391 |
|
| 1988 |
Rao VP, Chandrasekhar J, Ramamurthy V. Thermal and photochemical cycloaddition reactions of thiocarbonyls: A qualitative molecular orbital analysis Journal of the Chemical Society, Perkin Transactions 2. 647-659. DOI: 10.1039/P29880000647 |
0.316 |
|
| 1986 |
Jorgensen WL, Chandrasekhar J, Buckner JK, Madura JD. Computer simulations of organic reactions in solution. Annals of the New York Academy of Sciences. 482: 198-209. PMID 3471104 DOI: 10.1111/J.1749-6632.1986.Tb20951.X |
0.438 |
|
| 1986 |
Schleyer PvR, Kaufmann E, Kos AJ, Mayr H, Chandrasekhar J. Stabilization of the alleged ‘bishomoromatic’ bicyclo[3.2.1]octa-2,6-dienyl anion by counterion interactions and by hyperconjugation Journal of the Chemical Society, Chemical Communications. 1583-1585. DOI: 10.1039/C39860001583 |
0.321 |
|
| 1986 |
Luke BT, Pople JA, Krogh-Jespersen MB, Apeloig Y, Karni M, Chandrasekhar J, Schleyer PvR. A theoretical survey of unsaturated or multiply bonded and divalent silicon compounds. Comparison with carbon analogs Journal of the American Chemical Society. 108: 270-284. DOI: 10.1021/Ja00262A014 |
0.565 |
|
| 1986 |
Luke BT, Pople JA, Krogh-Jespersen MB, Apeloig Y, Chandrasekhar J, Schleyer PvR. A theoretical survey of singly bonded silicon compounds. Comparison of the structures and bond energies of silyl and methyl derivatives Journal of the American Chemical Society. 108: 260-269. DOI: 10.1021/Ja00262A013 |
0.573 |
|
| 1986 |
von Rague Schleyer P, Spitznagel GH, Chandrasekhar J. The ethyl, 1- and 2-propyl, and other simple alkyl “carbanions” do not exist Tetrahedron Letters. 27: 4411-4414. DOI: 10.1016/S0040-4039(00)84965-5 |
0.315 |
|
| 1986 |
LUKE BT, POPLE JA, KROGH-JESPERSEN M, APELOIG Y, KARNI M, CHANDRASEKHAR J, VON RAGUE SCHLEYER P. ChemInform Abstract: Theoretical Survey of Unsaturated or Multiply Bonded and Divalent Silicon Compounds. Chemischer Informationsdienst. 17. DOI: 10.1002/Chin.198618004 |
0.522 |
|
| 1986 |
Luke BT, Pople JA, Krogh-Jespersen M-, Apeloig Y, Chandrasekhar J, Schleyer PVR. Theoretical Survey of Singly Bonded Silicon Compounds. Comparison of the Structures and Bond Energies of Silyl and Methyl Derivatives Cheminform. 17. DOI: 10.1002/Chin.198618003 |
0.55 |
|
| 1985 |
Wierschke SG, Chandrasekhar J, Jorgensen WL. Magnitude and origin of the .beta.-silicon effect on carbenium ions Journal of the American Chemical Society. 107: 1496-1500. DOI: 10.1021/Ja00292A008 |
0.424 |
|
| 1985 |
Chandrasekhar J, von Rague Schleyer P. Relative stabilities of 1,4-disilabenzene and its valence isomers Journal of Organometallic Chemistry. 289: 51-55. DOI: 10.1016/0022-328X(85)88026-8 |
0.38 |
|
| 1985 |
CHANDRASEKHAR J, JORGENSEN WL. ChemInform Abstract: ENERGY PROFILE FOR A NONCONCERTED SN2 REACTION IN SOLUTION Chemischer Informationsdienst. 16. DOI: 10.1002/chin.198542084 |
0.387 |
|
| 1985 |
Chandrasekhar J, Jorgensen WL. Energy profile for a nonconcerted SN2 reaction in solution Journal of the American Chemical Society. 107: 2974-2975. DOI: 10.1002/Chin.198542084 |
0.453 |
|
| 1985 |
WIERSCHKE SG, CHANDRASEKHAR J, JORGENSEN WL. ChemInform Abstract: MAGNITUDE AND ORIGIN OF THE β-SILICON EFFECT ON CARBENIUM IONS Chemischer Informationsdienst. 16. DOI: 10.1002/chin.198530065 |
0.358 |
|
| 1985 |
Winkelhofer G, Janoschek R, Fratev F, Spitznagel GW, Chandrasekhar J, Schleyer PvR. Nonplanar structures of the singlet and triplet cyclopropenyl anions. An ab initio study Journal of the American Chemical Society. 107: 332-337. DOI: 10.1002/Chin.198521063 |
0.348 |
|
| 1985 |
CHANDRASEKHAR J, SMITH SF, JORGENSEN WL. ChemInform Abstract: THEORETICAL EXAMINATION OF THE SN2 REACTION INVOLVING CHLORIDE ION AND METHYL CHLORIDE IN THE GAS PHASE AND AQUEOUS SOLUTION Chemischer Informationsdienst. 16. DOI: 10.1002/chin.198519097 |
0.404 |
|
| 1985 |
Chandrasekhar J, Smith SF, Jorgensen WL. Theoretical examination of the SN2 reaction involving chloride ion and methyl chloride in the gas phase and aqueous solution Journal of the American Chemical Society. 107: 154-163. DOI: 10.1002/Chin.198519097 |
0.472 |
|
| 1984 |
Chandrasekhar J, Smith SF, Jorgensen WL. SN2 reaction profiles in the gas phase and aqueous solution Journal of the American Chemical Society. 106: 3049-3050. DOI: 10.1021/Ja00322A059 |
0.426 |
|
| 1984 |
Chandrasekhar J, Spellmeyer DC, Jorgensen WL. Energy component analysis for dilute aqueous solutions of lithium(1+), sodium(1+), fluoride(1-), and chloride(1-) ions Journal of the American Chemical Society. 106: 903-910. DOI: 10.1021/Ja00316A012 |
0.473 |
|
| 1984 |
Raber DJ, Raber NK, Chandrasekhar J, Schleyer PvR. Geometries and energies of complexes between formaldehyde and first- and second-row cations. A theoretical study Inorganic Chemistry. 23: 4076-4080. DOI: 10.1002/Chin.198513058 |
0.307 |
|
| 1984 |
CHANDRASEKHAR J, SMITH SF, JORGENSEN WL. ChemInform Abstract: SN2 REACTION PROFILES IN THE GAS PHASE AND AQUEOUS SOLUTION Chemischer Informationsdienst. 15. DOI: 10.1002/chin.198434086 |
0.356 |
|
| 1984 |
CHANDRASEKHAR J, SPELLMEYER DC, JORGENSEN WL. ChemInform Abstract: ENERGY COMPONENT ANALYSIS FOR DILUTE AQUEOUS SOLUTIONS OF LITHIUM(1+), SODIUM(1+), FLUORIDE(1-), AND CHLORIDE(1-) IONS Chemischer Informationsdienst. 15. DOI: 10.1002/chin.198420011 |
0.406 |
|
| 1983 |
Jorgensen WL, Chandrasekhar J, Madura JD, Impey RW, Klein ML. Comparison of simple potential functions for simulating liquid water The Journal of Chemical Physics. 79: 926-935. DOI: 10.1063/1.445869 |
0.464 |
|
| 1983 |
Schleyer PvR, Tidor B, Jemmis ED, Chandrasekhar J, Wuerthwein EU, Kos AJ, Luke BT, Pople JA. Lithium-stabilized methanonium ions, CLi5-nHn+. A theoretical study Journal of the American Chemical Society. 105: 484-488. DOI: 10.1021/Ja00341A030 |
0.511 |
|
| 1983 |
Smith SF, Chandrasekhar J, Jorgensen WL. Ab initio study of the structures and binding energies of aluminum monocation complexes The Journal of Physical Chemistry. 87: 1898-1902. DOI: 10.1021/J100234A014 |
0.473 |
|
| 1983 |
Clark T, Chandrasekhar J, Spitznagel GW, Schleyer PVR. Efficient diffuse function‐augmented basis sets for anion calculations. III. The 3‐21+G basis set for first‐row elements, Li–F Journal of Computational Chemistry. 4: 294-301. DOI: 10.1002/Jcc.540040303 |
0.417 |
|
| 1983 |
SCHLEYER PVR, TIDOR B, JEMMIS ED, CHANDRASEKHAR J, WUERTHWEIN E, KOS AJ, LUKE BT, POPLE JA. ChemInform Abstract: LITHIUM-STABILIZED METHANONIUM IONS, CLI5-NHN+. A THEORETICAL STUDY Chemischer Informationsdienst. 14. DOI: 10.1002/chin.198321074 |
0.46 |
|
| 1983 |
CHANDRASEKHAR J, JORGENSEN WL. ChemInform Abstract: THE NATURE OF DILUTE SOLUTIONS OF SODIUM ION IN WATER, METHANOL, AND TETRAHYDROFURAN Chemischer Informationsdienst. 14. DOI: 10.1002/chin.198305068 |
0.38 |
|
| 1983 |
CHANDRASEKHAR J, JORGENSEN WL. ChemInform Abstract: MONTE CARLO SIMULATIONS OF LIQUID TETRAHYDROFURAN INCLUDING PSEUDOROTATION Chemischer Informationsdienst. 14. DOI: 10.1002/chin.198305067 |
0.326 |
|
| 1982 |
Jorgensen WL, Bigot B, Chandrasekhar J. Quantum and statistical mechanical studies of liquids. 21. The nature of dilute solutions of sodium and methoxide ions in methanol Journal of the American Chemical Society. 104: 4584-4591. DOI: 10.1021/Ja00381A013 |
0.436 |
|
| 1982 |
Jemmis ED, Chandrasekhar J, Wuerthwein EU, Schleyer PvR, Chinn JW, Landro FJ, Lagow RJ, Luke B, Pople JA. Lithiated carbocations. The generation, structure, and stability of CLi5+ Journal of the American Chemical Society. 104: 4275-4276. DOI: 10.1021/ja00379a051 |
0.424 |
|
| 1982 |
Jemmis ED, Chandrasekhar J, Würthwein EU, Schleyer PVR, Chinn JW, Landro FJ, Lagow RJ, Luke B, Pople JA. Lithiated carbocations. The generation, structure, and stability of CLi5 + Journal of the American Chemical Society. 104: 4275-4276. DOI: 10.1021/Ja00379A051 |
0.486 |
|
| 1982 |
Raghavachari K, Chandrasekhar J, Frisch MJ. Ab initio study of silylene insertion into oxygen-hydrogen bonds. Stability of zwitterionic intermediates Journal of the American Chemical Society. 104: 3779-3781. DOI: 10.1021/Ja00377A065 |
0.307 |
|
| 1982 |
Chandrasekhar J, Pople JA, Seeger R, Seeger U, Schleyer PvR. Remarkable stabilities, geometries, and electronic states of lithium-substituted carbenium ions, CLi3-nHn+ (n = 0-3), and the corresponding radicals Journal of the American Chemical Society. 104: 3651-3655. DOI: 10.1021/Ja00377A017 |
0.334 |
|
| 1982 |
Smith SF, Chandrasekhar J, Jorgensen WL. Ab initio study of acid-base interactions. Proton, lithium, and sodium affinities of first- and second-row bases The Journal of Physical Chemistry. 86: 3308-3318. DOI: 10.1021/J100214A010 |
0.471 |
|
| 1982 |
Spitznagel GW, Clark T, Chandrasekhar J, Schleyer PVR. Stabilization of methyl anions by first‐row substituents. The superiority of diffuse function‐augmented basis sets for anion calculations Journal of Computational Chemistry. 3: 363-371. DOI: 10.1002/Jcc.540030311 |
0.48 |
|
| 1982 |
Chandrasekhar J, Jorgensen WL. The nature of dilute solutions of sodium ion in water, methanol, and tetrahydrofuran The Journal of Chemical Physics. 77: 5080-5089. DOI: 10.1002/Chin.198305068 |
0.448 |
|
| 1982 |
Chandrasekhar J, Jorgensen WL. Monte Carlo simulations of liquid tetrahydrofuran including pseudorotation The Journal of Chemical Physics. 77: 5073-5079. DOI: 10.1002/Chin.198305067 |
0.398 |
|
| 1982 |
JORGENSEN WL, BIGOT B, CHANDRASEKHAR J. ChemInform Abstract: QUANTUM AND STATISTICAL MECHANICAL STUDIES OF LIQUIDS. 21. THE NATURE OF DILUTE SOLUTIONS OF SODIUM AND METHOXIDE IONS IN METHANOL Chemischer Informationsdienst. 13. DOI: 10.1002/chin.198247075 |
0.365 |
|
| 1982 |
JEMMIS ED, CHANDRASEKHAR J, WUERTHWEIN E, SCHLEYER PVR, CHINN JWJ, LANDRO FJ, LAGOW RJ, LUKE B, POPLE JA. ChemInform Abstract: LITHIATED CARBOCATIONS. THE GENERATION, STRUCTURE, AND STABILITY OF CLI5+ Chemischer Informationsdienst. 13. DOI: 10.1002/CHIN.198244282 |
0.436 |
|
| 1981 |
Schleyer PvR, Chandrasekhar J, Kos AJ, Clark T, Spitznagel GW. The relationship between the energies of carbanions, R–, and their lithiated counterparts, RLi. An ab initio study Journal of the Chemical Society, Chemical Communications. 882-884. DOI: 10.1039/C39810000882 |
0.444 |
|
| 1981 |
Chandrasekhar J, Schleyer PVR. Planar tetraco-ordinate carbon candidates: MNDO calculations on substituted phenyl-lithium dimers Journal of the Chemical Society, Chemical Communications. 260-261. DOI: 10.1039/C39810000260 |
0.341 |
|
| 1981 |
Chandrasekhar J, Andrade JG, Schleyer PvR. Efficient and accurate calculation of anion proton affinities Journal of the American Chemical Society. 103: 5609-5612. DOI: 10.1021/Ja00408A074 |
0.32 |
|
| 1981 |
Andrade JG, Clark T, Chandrasekhar J, Schleyer PvR. Alternative mechanisms for cyanide anion exchange with acetonitrile Tetrahedron Letters. 22: 2957-2960. DOI: 10.1016/S0040-4039(01)81798-6 |
0.455 |
|
| 1981 |
Andrade JG, Chandrasekhar J, Schleyer PVR. Bicyclo[1.1.0]butadiene (trialene): An experimentally viable molecule? Journal of Computational Chemistry. 2: 207-211. DOI: 10.1002/Jcc.540020211 |
0.329 |
|
| 1980 |
Bestmann HJ, Chandrasekhar J, Downey WG, Schleyer PvR. Pseudorotational isomers of Wittig intermediates. Structures and relative energies Journal of the Chemical Society, Chemical Communications. 978-980. DOI: 10.1039/C39800000978 |
0.357 |
|
| 1980 |
Clark T, Chandrasekhar J, Schleyer PvR. 7 Li–13C n.m.r. coupling constants and the nature of the carbon–lithium bond: INDO MO calculations Journal of the Chemical Society, Chemical Communications. 672-673. DOI: 10.1039/C39800000672 |
0.446 |
|
| 1980 |
Clark T, Chandrasekhar J, Schleyer PvR, Saunders M. Deuterium isotope effect on the e.s.r. Spectrum of annulene radicals: a reappraisal Journal of the Chemical Society, Chemical Communications. 265-266. DOI: 10.1039/C39800000265 |
0.405 |
|
| 1980 |
Apeloig Y, Collins JB, Cremer D, Bally T, Haselbach E, Pople JA, Chandrasekhar J, Schleyer PVR. Theoretical study of the isomeric cyclopropylidenemethyl and 1-cyclobutenyl cations, unusually stable vinyl cations The Journal of Organic Chemistry. 45: 3496-3501. DOI: 10.1021/Jo01305A025 |
0.58 |
|
| 1980 |
Olah GA, Prakash GKS, Liang G, Westerman PW, Kunde K, Chandrasekhar J, Schleyer PVR. Stable carbocations. 225. Proton and carbon-13 NMR spectroscopic study of 9-fluorenyl cations Journal of the American Chemical Society. 102: 4485-4492. DOI: 10.1021/Ja00533A030 |
0.367 |
|
| 1980 |
CHANDRASEKHAR J, MEHROTRA PK, SUBRAMANIAN S, MANOHARAN PT. ChemInform Abstract: NDDO MO CALCULATIONS. IV. CORRELATION OF K-SHELL BINDING ENERGY SHIFTS Chemischer Informationsdienst. 11. DOI: 10.1002/Chin.198008043 |
0.566 |
|
| 1980 |
Bowen RD, Chandrasekhar J, Frenking G, Schleyer PvR, Schwarz H, Wesdemiotis C, Williams DH. Dissoziative Ringöffnung halogensubstituierter Methylcyclopropan-Radikalkationen in der Gasphase Chemische Berichte. 113: 1084-1094. DOI: 10.1002/Cber.19801130327 |
0.341 |
|
| 1979 |
Krogh-Jespersen K, Cremer D, Poppinger D, Pople JA, Schleyer PvR, Chandrasekhar J. Molecular orbital theory of the electronic structure of molecules. 39. Highly unusual structures of electron-deficient carbon compounds. Reversal of van't Hoff stereochemistry in BBC ring systems Journal of the American Chemical Society. 101: 4843-4851. DOI: 10.1021/Ja00511A011 |
0.302 |
|
| 1979 |
Jemmis ED, Chandrasekhar J, Schleyer PvR. The unusual structures, energies, and bonding of lithium-substituted allenes, propynes, and cyclopropenes Journal of the American Chemical Society. 101: 2848-2856. DOI: 10.1021/Ja00505A008 |
0.552 |
|
| 1979 |
Jemmis ED, Chandrasekhar J, Schleyer PvR. Stabilization of D3h pentacoordinate carbonium ions. Linear three-center-two-electron bonds. Implications for aliphatic electrophilic substitution reactions Journal of the American Chemical Society. 101: 527-533. DOI: 10.1021/Ja00497A004 |
0.548 |
|
| 1979 |
Chandrasekhar J, Jemmis ED, von Ragué Schleyer P. Double aromaticity: aromaticity in orthogonal planes. The 3,5-dehydrophenyl cation. Tetrahedron Letters. 20: 3707-3710. DOI: 10.1016/S0040-4039(01)95503-0 |
0.528 |
|
| 1979 |
Schwarz H, Franke W, Chandrasekhar J, Schleyer PvR. Eckenprotoniertes cyclopropan in der gasphase: kopplung von unimolekularer [1.1]-H2-eliminierung aus C3H7+ und ringöffnung des cyclopropylkations Tetrahedron. 35: 1969-1976. DOI: 10.1016/0040-4020(79)85056-5 |
0.329 |
|
| 1979 |
Mehrotra PK, Chandrasekhar J, Manoharan PT, Subramanian S. NDDO MO calculations: isotropic hyperfine coupling constants and nuclear spin-spin coupling constants Chemical Physics Letters. 68: 219-221. DOI: 10.1016/0009-2614(79)80105-0 |
0.555 |
|
| 1979 |
Chandrasekhar J, Mehrotra PK, Subramanian S, Manoharan PT. NDDO MO Calculations Theoretica Chimica Acta. 53: 293-296. DOI: 10.1007/Bf00550283 |
0.548 |
|
| 1979 |
Chandrasekhar J, Mehrotra PK, Subramanian S, Manoharan PT. NDDO MO calculations Theoretica Chimica Acta. 52: 303-310. DOI: 10.1007/Bf00549089 |
0.604 |
|
| 1979 |
JEMMIS ED, CHANDRASEKHAR J, SCHLEYER PVR. ChemInform Abstract: THE UNUSUAL STRUCTURES, ENERGIES, AND BONDING OF LITHIUM-SUBSTITUTED ALLENES, PROPYNES, AND CYCLOPROPENES Chemischer Informationsdienst. 10. DOI: 10.1002/chin.197936097 |
0.504 |
|
| 1979 |
JEMMIS ED, CHANDRASEKHAR J, SCHLEYER PVR. ChemInform Abstract: STABILIZATION OF D3H PENTACOORDINATE CARBONIUM IONS. LINEAR THREE-CENTER-TWO-ELECTRON BONDS. IMPLICATIONS FOR ALIPHATIC ELECTROPHILIC SUBSTITUTION REACTIONS Chemischer Informationsdienst. 10. DOI: 10.1002/chin.197919069 |
0.499 |
|
| 1976 |
Mehrotra PK, Chandrasekhar J, Manoharan PT, Subramanian S. NDDO MO calculations Theoretica Chimica Acta. 41: 257-262. DOI: 10.1007/Bf01151960 |
0.6 |
|
| 1976 |
Chandrasekhar J, Mehrotra PK, Subramanian S, Manoharan PT. NDDO MO calculations Theoretica Chimica Acta. 41: 243-256. DOI: 10.1007/Bf01151959 |
0.599 |
|
| 1976 |
Kanakavel M, Chandrasekhar J, Subramanian S, Singh S. Calculation of optimum geometries and force fields by the CNDO/force method Theoretica Chimica Acta. 43: 185-196. DOI: 10.1007/Bf00632198 |
0.563 |
|
| 1975 |
Chandrasekhar J, Chandra Kumar N, Subramanian S. EPR of Manganese(II) in tetramethylammonium tetrachlorozincate(II) Journal of Magnetic Resonance (1969). 18: 129-138. DOI: 10.1016/0022-2364(75)90231-0 |
0.566 |
|
| 1974 |
Chandrasekhar J, Subramanian S. EPR of copper(II) doped in ammonium catena-di-μ-chromato-diammine zincate(II), (NH4)2[Zn(NH3)2(CrO4]2 Journal of Magnetic Resonance (1969). 16: 82-86. DOI: 10.1016/0022-2364(74)90202-9 |
0.571 |
|
| 1974 |
Mehrotra P, Chandrasekhar J, Subramanian S, Manoharan P. Molecular orbital calculation of structures and spin densities of AsCl3− and AsF3− Chemical Physics Letters. 28: 402-406. DOI: 10.1016/0009-2614(74)80377-5 |
0.589 |
|
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