Eluvathingal Devassay Jemmis, Ph. D - Publications

Affiliations: 
1980-2005 University of Hyderabad, Hyderabad, Telangana, India 
 2005- Indian Institute of Science, Bengaluru, Karnataka, India 
Area:
Applied Theoretical Chemistry, Structure and Reactivity of molecules and clusters
Website:
http://ipc.iisc.ernet.in/~jemmis/

113 high-probability publications. We are testing a new system for linking publications to authors. You can help! If you notice any inaccuracies, please sign in and mark papers as correct or incorrect matches. If you identify any major omissions or other inaccuracies in the publication list, please let us know.

Year Citation  Score
2020 Roesky HW, Sarkar SK, Chaliha R, Banerjee S, Münch A, Siddiqui MM, Herbst-Irmer R, Stalke D, Jemmis ED. A Neutral Three-Membered 2π Aromatic Disilaborirane and its Unique Conversion to a Four-Membered BSi2N-Ring. Angewandte Chemie (International Ed. in English). PMID 32840959 DOI: 10.1002/Anie.202009638  1
2020 Kannan R, Balasubramaniam S, Kumar S, Chambenahalli R, Jemmis ED, Venugopal A. Electrophilic Organobismuth Dication Catalyzes Carbonyl Hydrosilylation. Chemistry (Weinheim An Der Bergstrasse, Germany). PMID 32501548 DOI: 10.1002/Chem.202002006  0.36
2020 Ghorai S, Jemmis ED. Structures and bonding in [L]M(μ-CCR)M[L] and [L]M(μ-RCR)M[L]: requirements for C-C coupling. Dalton Transactions (Cambridge, England : 2003). PMID 32236179 DOI: 10.1039/C9Dt04748D  1
2019 Kannan R, Chambenahalli R, Kumar S, Krishna A, Andrews AP, Jemmis ED, Venugopal A. Organoaluminum cations for carbonyl activation. Chemical Communications (Cambridge, England). PMID 31746857 DOI: 10.1039/C9Cc08272G  0.36
2019 Saha K, Ghorai S, Kar S, Saha S, Halder R, Raghavendra B, Jemmis ED, Ghosh S. Stabilization of Classical [B2H5]-: Structure and Bonding of [(Cp*Ta)2(B2H5)(µ-H)L2] (Cp* = η5-C5Me5; L = SCH2S). Angewandte Chemie (International Ed. in English). PMID 31553103 DOI: 10.1002/Anie.201911480  1
2019 Macháček J, Francés-Monerris A, Karmodak N, Roca-Sanjuán D, Fanfrlík J, Londesborough MGS, Hnyk D, Jemmis ED. A theoretical analysis of the structure and properties of BH isomers. Consequences to the laser and semiconductor doping capabilities of large borane clusters. Physical Chemistry Chemical Physics : Pccp. PMID 31165130 DOI: 10.1039/C9Cp02371B  1
2019 Sarkar SK, Siddiqui MM, Kundu S, Ghosh M, Kretsch J, Stollberg P, Herbst-Irmer R, Stalke D, Stückl AC, Schwederski B, Kaim W, Ghorai S, Jemmis ED, Roesky HW. Isolation of base stabilized fluoroborylene and its radical cation. Dalton Transactions (Cambridge, England : 2003). PMID 31139807 DOI: 10.1039/C9Dt01899A  1
2019 Karmodak N, Chaliha R, Jemmis ED. Overlap of Radial Dangling Orbitals Controls the Relative Stabilities of Polyhedral B H Isomers ( n = 5-12, x = 0 to n - 1). Inorganic Chemistry. PMID 30810302 DOI: 10.1021/Acs.Inorgchem.8B02986  1
2018 Jemmis ED, Ghorai S. B-B coupling and B-B catenation: Computational study of the structure and reactions of metal-bis(borylene) complexes. Chemistry (Weinheim An Der Bergstrasse, Germany). PMID 30303575 DOI: 10.1002/Chem.201804599  1
2018 Joy J, Akhil E, Jemmis ED. Halogen bond shortens and strengthens the bridge bond of [1.1.1]propellane and the open form of [2.2.2]propellane. Physical Chemistry Chemical Physics : Pccp. PMID 30283928 DOI: 10.1039/C8Cp05125A  1
2018 Mondal B, Bag R, Ghorai S, Bakthavachalam K, Jemmis ED, Ghosh S. Synthesis, Structure, Bonding and Reactivity of Metal Complexes comprising Diborane(4) and Diborene(2): [{Cp*Mo(CO)2}2{µ-η2:η2-B2H4}] and [{Cp*M(CO)2}2B2H2M(CO)4], M=Mo,W. Angewandte Chemie (International Ed. in English). PMID 29697175 DOI: 10.1002/Anie.201803154  1
2018 Ghosh S, Roy P, Karmodak N, Jemmis ED, Mugesh G. Nanoisozymes: Crystal Facet-Dependent Enzyme Mimetic Activity of V2O5 Nanomaterials. Angewandte Chemie (International Ed. in English). PMID 29424075 DOI: 10.1002/Anie.201800681  1
2017 Kannan R, Kumar S, Andrews AP, Jemmis ED, Venugopal A. Consequence of Ligand Bite Angle on Bismuth Lewis Acidity. Inorganic Chemistry. PMID 28792213 DOI: 10.1021/Acs.Inorgchem.7B01243  0.36
2017 Joy J, Jemmis ED. A halogen bond route to shorten the ultrashort sextuple bonds in Cr2 and Mo2. Chemical Communications (Cambridge, England). PMID 28677703 DOI: 10.1039/C7Cc04653G  1
2017 Jemmis ED, Ghorai S. A DFT study of the stabilization of B-B triple bond in a metallaborocycle: Contrasting electronic structures of boron and carbon analogs. Chemistry (Weinheim An Der Bergstrasse, Germany). PMID 28557024 DOI: 10.1002/Chem.201702422  1
2017 Karmodak N, Jemmis ED. The Role of Holes in Borophenes: An Ab Initio Study of Their Structure and Stability with and without Metal Templates. Angewandte Chemie (International Ed. in English). PMID 28128490 DOI: 10.1002/Anie.201610584  1
2017 Joy J, Jemmis ED. Contrasting Behavior of the Z Bonds in X-Z···Y Weak Interactions: Z = Main Group Elements Versus the Transition Metals. Inorganic Chemistry. PMID 28075570 DOI: 10.1021/Acs.Inorgchem.6B02073  1
2016 Karmodak N, Jemmis ED. Exohedral Complexation of B40 , C60 and Arenes with Transition Metals: A Comparative DFT Study. Chemistry, An Asian Journal. 11: 3350-3354. PMID 27860450 DOI: 10.1002/Asia.201601301  1
2016 Ramanathan N, Sundararajan K, Vidya K, Jemmis ED. Non-covalent C-Cl…π interaction in acetylene-carbon tetrachloride adducts: Matrix isolation infrared and ab initio computational studies. Spectrochimica Acta. Part a, Molecular and Biomolecular Spectroscopy. 157: 69-78. PMID 26722673 DOI: 10.1016/J.Saa.2015.12.016  0.48
2016 Ramanathan N, Sundararajan K, Vidya K, Jemmis ED. Non-covalent C-Cl...π interaction in acetylene-carbon tetrachloride adducts: Matrix isolation infrared and ab initio computational studies Spectrochimica Acta - Part a: Molecular and Biomolecular Spectroscopy. 157: 69-78. DOI: 10.1016/j.saa.2015.12.016  0.96
2016 Arunan E, Jemmis ED, Subramanian V. One hundred years of Lewis Chemical Bond! Journal of Chemical Sciences. 128: 1517-1518. DOI: 10.1007/S12039-016-1177-Y  0.96
2016 Priyakumari CP, Jemmis ED. Computational design of Oligo-sulfuranes Journal of Chemical Sciences. 128: 1663-1669. DOI: 10.1007/S12039-016-1157-2  1
2015 Wang C, Mo Y, Wagner JP, Schreiner PR, Jemmis ED, Danovich D, Shaik S. The Self-Association of Graphane Is Driven by London Dispersion and Enhanced Orbital Interactions. Journal of Chemical Theory and Computation. 11: 1621-30. PMID 26574371 DOI: 10.1021/Acs.Jctc.5B00075  0.72
2015 Joy J, Jose A, Jemmis ED. Continuum in the X-Z---Y weak bonds: Z= main group elements. Journal of Computational Chemistry. PMID 26279192 DOI: 10.1002/Jcc.24036  0.96
2015 Dhoke K, Zanni M, Harbola U, Venkatraman RK, Arunan E, Lin KC, Nenov A, Skelton J, Miller RJ, Hirst JD, Aquilanti V, Helliwell JR, Keshavamurthy S, Ramesh S, Ashfold M, et al. Dynamics of chemical bond: general discussion. Faraday Discussions. 177: 121-54. PMID 25837323 DOI: 10.1039/C5Fd90016F  0.96
2015 Jemmis ED, Aravamudhan S, Arunan E, Shahi A, Hunt N, Schnedermann C, Helliwell JR, Ashfold M, Prabal Goswami H, Nenov A, Deckert V, Roy Chowdhury P, Ghiggino K, Miller RJ, Goswami D, et al. Future challenges: general discussion. Faraday Discussions. 177: 517-45. PMID 25831150 DOI: 10.1039/C5Fd90019K  0.96
2015 Zanni M, Jemmis ED, Aravamudhan S, Arunan E, Hunt N, Mukhopadhyay S, Shepherd HJ, Keshavamurthy S, Dijkstra AG, Ashfold M, Prabal Goswami H, Nenov A, Medhi H, Ghiggino K, Moirangthem K, et al. Local and Global Dynamics: general discussion. Faraday Discussions. 177: 381-403. PMID 25820607 DOI: 10.1039/C5Fd90018B  0.96
2015 Joy J, Jemmis ED, Vidya K. Negative hyperconjugation and red-, blue- or zero-shift in X-Z⋯Y complexes Faraday Discussions. 177: 33-50. PMID 25653178 DOI: 10.1039/C4Fd00183D  0.96
2015 Kumar R, Ramakrishnan S, Jemmis ED, Jagirdar BR. Implication of a σ-Methane Complex en Route to Elimination of Methane from a Ruthenium Complex: An Experimental and Theoretical Investigation Organometallics. 34: 1245-1254. DOI: 10.1021/Om501248V  0.96
2015 Wang C, Mo Y, Wagner JP, Schreiner PR, Jemmis ED, Danovich D, Shaik S. The self-association of graphane is driven by London dispersion and enhanced orbital interactions Journal of Chemical Theory and Computation. 11: 1621-1630. DOI: 10.1021/acs.jctc.5b00075  0.96
2015 Mallick D, Jemmis ED. Structural variations in aromatic 2π-electron three-membered rings of the main group elements Journal of Chemical Sciences. 127: 183-196. DOI: 10.1007/S12039-015-0777-2  0.96
2014 Roy S, Rosenthal U, Jemmis ED. Metallacyclocumulenes: a theoretical perspective on the structure, bonding, and reactivity. Accounts of Chemical Research. 47: 2917-30. PMID 25171518 DOI: 10.1021/Ar5001567  0.92
2014 Roy S, Jemmis ED. Unexpected Mechanism for Formal [2 + 2] Cycloadditions of Metallacyclocumulenes Current Science. 106: 1249-1254. DOI: 10.18520/Cs/V106/I9/1249-1254  0.92
2013 Priyakumari CP, Jemmis ED. P3F9(2-): an all-pseudo-π* 2π-aromatic. Journal of the American Chemical Society. 135: 16026-9. PMID 24134040 DOI: 10.1021/Ja408308G  1
2013 Sundararajan K, Ramanathan N, Viswanathan KS, Vidya K, Jemmis ED. Complexes of acetylene-fluoroform: A matrix isolation and computational study Journal of Molecular Structure. 1049: 69-77. DOI: 10.1016/J.Molstruc.2013.05.069  1
2013 Mallick D, Jemmis ED. Main Group Metal Clusters Comprehensive Inorganic Chemistry Ii (Second Edition): From Elements to Applications. 9: 833-867. DOI: 10.1016/B978-0-08-097774-4.00935-9  1
2012 Haehnel M, Ruhmann M, Theilmann O, Roy S, Beweries T, Arndt P, Spannenberg A, Villinger A, Jemmis ED, Schulz A, Rosenthal U. Reactions of titanocene bis(trimethylsilyl)acetylene complexes with carbodiimides: an experimental and theoretical study of complexation versus C-N bond activation. Journal of the American Chemical Society. 134: 15979-91. PMID 22891968 DOI: 10.1021/Ja3070649  0.96
2012 Roy S, Jemmis ED, Schulz A, Beweries T, Rosenthal U. Theoretical evidence of the stabilization of an unusual four-membered metallacycloallene by a transition-metal fragment. Angewandte Chemie (International Ed. in English). 51: 5347-50. PMID 22528044 DOI: 10.1002/Anie.201200148  0.96
2012 Mukherjee R, Mondal S, Basak A, Mallick D, Jemmis ED. Reactivity of bispropargyl sulfones under basic conditions: Interplay between Garratt-Braverman and Schmittel/Myers-Saito cyclization pathway Chemistry - An Asian Journal. 7: 957-965. PMID 22407821 DOI: 10.1002/Asia.201100903  0.96
2012 Pancharatna PD, Balakrishnarajan MM, Jemmis ED, Hoffmann R. Polyhedral borane analogues of the benzynes and beyond: bonding in variously charged B12H10 isomers. Journal of the American Chemical Society. 134: 5916-20. PMID 22394076 DOI: 10.1021/Ja212055X  1
2012 Addy DA, Phillips N, Pierce GA, Vidovic D, Krämer T, Mallick D, Jemmis ED, Reid G, Aldridge S. (Dimethylamino)borylene and related complexes of electron-rich metal fragments: Generation of nucleophile-resistant cations by spontaneous halide ejection Organometallics. 31: 1092-1102. DOI: 10.1021/Om201144E  0.96
2012 Kaleta K, Ruhmann M, Theilmann O, Roy S, Beweries T, Arndt P, Villinger A, Jemmis ED, Schulz A, Rosenthal U. Experimental and theoretical studies of unusual four-membered metallacycles from reactions of group 4 metallocene bis(trimethylsilyl)acetylene complexes with the sulfurdiimide Me 3SiN=S=NSiMe 3 European Journal of Inorganic Chemistry. 611-617. DOI: 10.1002/Ejic.201101188  0.96
2011 Bose SK, Geetharani K, Sahoo S, Reddy KH, Varghese B, Jemmis ED, Ghosh S. Synthesis, characterization, and electronic structure of new type of heterometallic boride clusters. Inorganic Chemistry. 50: 9414-22. PMID 21875060 DOI: 10.1021/Ic201046G  0.96
2011 Reddy KH, Usharani D, Nixon JF, Jemmis ED. Structure and bonding in stannadiphospholes and their dianions SnC2P2R2m (R=H, tBu m=0, -2): a comparative study with C5H5+ and C5H5- analogues. Chemistry (Weinheim An Der Bergstrasse, Germany). 17: 9142-52. PMID 21766359 DOI: 10.1002/Chem.201100239  0.72
2011 Kaleta K, Ruhmann M, Theilmann O, Beweries T, Roy S, Arndt P, Villinger A, Jemmis ED, Schulz A, Rosenthal U. Reactions of group 4 metallocene alkyne complexes with carbodiimides: experimental and theoretical studies of the structure and bonding of five-membered hetero-metallacycloallenes. Journal of the American Chemical Society. 133: 5463-73. PMID 21413717 DOI: 10.1021/Ja111479J  0.96
2011 Saha S, Mallick D, Majumdar R, Roy M, Dighe RR, Jemmis ED, Chakravarty AR. Structure-activity relationship of photocytotoxic iron(III) complexes of modified dipyridophenazine ligands. Inorganic Chemistry. 50: 2975-87. PMID 21391682 DOI: 10.1021/Ic1024229  0.96
2011 Maji M, Mallick D, Mondal S, Anoop A, Bag SS, Basak A, Jemmis ED. Selectivity in Garratt-Braverman cyclization: An experimental and computational study Organic Letters. 13: 888-891. PMID 21302895 DOI: 10.1021/Ol102861J  0.96
2011 Muir RM, Ibáñez AM, Uratsu SL, Ingham ES, Leslie CA, McGranahan GH, Batra N, Goyal S, Joseph J, Jemmis ED, Dandekar AM. Mechanism of gallic acid biosynthesis in bacteria (Escherichia coli) and walnut (Juglans regia). Plant Molecular Biology. 75: 555-65. PMID 21279669 DOI: 10.1007/S11103-011-9739-3  0.96
2011 Roy S, Roy S, Saha S, Majumdar R, Dighe RR, Jemmis ED, Chakravarty AR. Cobalt(II) complexes of terpyridine bases as photochemotherapeutic agents showing cellular uptake and photocytotoxicity in visible light. Dalton Transactions (Cambridge, England : 2003). 40: 1233-42. PMID 21186388 DOI: 10.1039/C0Dt00223B  0.92
2011 Roy S, Jemmis ED, Ruhmann M, Schulz A, Kaleta K, Beweries T, Rosenthal U. Theoretical studies on the structure and bonding of metallacyclocumulenes, -cyclopentynes, and -cycloallenes Organometallics. 30: 2670-2679. DOI: 10.1021/Om2000037  0.96
2010 Addy DA, Pierce GA, Vidovic D, Mallick D, Jemmis ED, Goicoechea JM, Aldridge S. Generation of cationic two-coordinate group-13 ligand systems by spontaneous halide ejection: remarkably nucleophile-resistant (dimethylamino)borylene complexes. Journal of the American Chemical Society. 132: 4586-8. PMID 20232864 DOI: 10.1021/Ja101192E  0.96
2010 Dhayal RS, Sahoo S, Reddy KH, Mobin SM, Jemmis ED, Ghosh S. Vertex-fused metallaborane clusters: synthesis, characterization and electronic structure of [(eta5-C5Me5Mo)3MoB9H18]. Inorganic Chemistry. 49: 900-4. PMID 20050629 DOI: 10.1021/Ic901481Q  0.72
2009 Joseph J, Rajanbabu TV, Jemmis ED. A Theoretical Investigation of the Ni(II)-Catalyzed Hydrovinylation of Styrene. Organometallics. 28: 3552-3566. PMID 21532981 DOI: 10.1021/Om900045P  0.96
2009 Basak A, Das S, Mallick D, Jemmis ED. Which one is preferred: Myers-Saito cyclization of ene-yne-allene or Garratt-Braverman cyclization of conjugated bisallenic sulfone? A theoretical and experimental study Journal of the American Chemical Society. 131: 15695-15704. PMID 19824673 DOI: 10.1021/Ja9023644  0.96
2009 Shameema O, Jemmis ED. Closo versus hypercloso metallaboranes: A DFT study. Inorganic Chemistry. 48: 7818-27. PMID 19601587 DOI: 10.1021/Ic900741Y  0.76
2009 Shameema O, Jemmis ED. Relative stability of closo-closo, closo-nido, and nido-nido macropolyhedral boranes: the role of orbital compatibility. Chemistry, An Asian Journal. 4: 1346-53. PMID 19557784 DOI: 10.1002/Asia.200900153  0.76
2009 Sahoo S, Reddy KH, Dhayal RS, Mobin SM, Ramkumar V, Jemmis ED, Ghosh S. Chlorinated hypoelectronic dimetallaborane clusters: synthesis, characterization, and electronic structures of (eta(5)-C5Me5W)2B5H(n)Cl(m) (n = 7, m = 2 and n = 8, m = 1). Inorganic Chemistry. 48: 6509-16. PMID 19527047 DOI: 10.1021/Ic900467D  0.96
2009 Usharani D, Poduska A, Nixon JF, Jemmis ED. Electronic structure and bonding in neutral and dianionic boradiphospholes: R'BC2P2R2 (R = H, tBu, R' = H, Ph). Chemistry (Weinheim An Der Bergstrasse, Germany). 15: 8429-42. PMID 19437474 DOI: 10.1002/Chem.200802491  0.96
2009 Pierce GA, Vidovic D, Kays DL, Coombs ND, Thompson AL, Jemmis ED, De S, Aldridge S. Half-sandwich group 8 borylene complexes: Synthetic and structural studies and oxygen atom abstraction chemistry Organometallics. 28: 2947-2960. DOI: 10.1021/Om801215B  0.96
2009 De S, Pierce GA, Vidovic D, Kays DL, Coombs ND, Jemmis ED, Aldridge S. Reactivity of cationic terminal borylene complexes: Novel mechanisms for insertion and metathesis chemistry involving strongly Lewis acidic ligand systems Organometallics. 28: 2961-2975. DOI: 10.1021/Om801214F  0.96
2008 Usharani D, Srivani P, Sastry GN, Jemmis ED. pH Dependence of a 310-Helix versus a Turn in the M-Loop Region of PDE4: Observations on PDB Entries and an Electronic Structure Study. Journal of Chemical Theory and Computation. 4: 974-84. PMID 26621238 DOI: 10.1021/Ct700261B  0.96
2008 Srivani P, Usharani D, Jemmis ED, Sastry GN. Subtype selectivity in phosphodiesterase 4 (PDE4): a bottleneck in rational drug design. Current Pharmaceutical Design. 14: 3854-72. PMID 19128237 DOI: 10.2174/138161208786898653  0.96
2008 Ghosh S, Usharani D, Paul A, De S, Jemmis ED, Bhattacharya S. Design, synthesis, and DNA binding properties of photoisomerizable azobenzene-distamycin conjugates: an experimental and computational study. Bioconjugate Chemistry. 19: 2332-45. PMID 18991370 DOI: 10.1021/Bc800130U  0.72
2008 Mallick D, Parameswaran P, Jemmis ED. Structure and bonding in cyclic isomers of B2AlH(n)(m) (n = 3-6, m = -2 to +1): a comparative study with B3H(n)(m), BAl2H(n)(m) and Al3H(n)(m). The Journal of Physical Chemistry. A. 112: 13080-7. PMID 18939784 DOI: 10.1021/Jp803894T  0.96
2008 Ghosh S, Usharani D, De S, Jemmis ED, Bhattacharya S. Photophysical and duplex-DNA-binding properties of distamycin dimers based on 4,4'- and 2,2'-dialkoxyazobenzenes as the core. Chemistry, An Asian Journal. 3: 1949-61. PMID 18810740 DOI: 10.1002/Asia.200800151  0.72
2008 Shameema O, Jemmis ED. Orbital compatibility in the condensation of polyhedral boranes. Angewandte Chemie (International Ed. in English). 47: 5561-4. PMID 18567034 DOI: 10.1002/Anie.200801295  0.76
2008 Prasad DL, Jemmis ED. Stuffing improves the stability of fullerenelike boron clusters. Physical Review Letters. 100: 165504. PMID 18518216 DOI: 10.1103/Physrevlett.100.165504  1
2008 Shameema O, Pathak B, Jemmis ED. Theoretical study of the reaction of B20H16 with MeCN: closo/closo to closo/nido conversion. Inorganic Chemistry. 47: 4375-82. PMID 18439005 DOI: 10.1021/Ic702509J  0.84
2008 Kumar A, De S, Samuelson AG, Jemmis ED. Differing reactivities of zirconium and titanium alkoxides with phenyl isocyanate: An experimental and computational study Organometallics. 27: 955-960. DOI: 10.1021/Om701004F  0.96
2007 Roy M, Pathak B, Patra AK, Jemmis ED, Nethaji M, Chakravarty AR. New insights into the visible-light-induced DNA cleavage activity of dipyridoquinoxaline complexes of bivalent 3d-metal ions. Inorganic Chemistry. 46: 11122-32. PMID 18044877 DOI: 10.1021/Ic701450A  0.84
2007 Beweries T, Burlakov VV, Bach MA, Peitz S, Arndt P, Baumann W, Spannenberg A, Rosenthal U, Pathak B, Jemmis ED. Tandem Si-C and C-H activation for decamethylhafnocene and bis(trimethylsilyl)acetylene. Angewandte Chemie (International Ed. in English). 46: 6907-10. PMID 17615606 DOI: 10.1002/Anie.200701565  0.96
2007 De S, Parameswaran P, Jemmis ED. A theoretical study on the mechanism of boron metathesis. Inorganic Chemistry. 46: 6091-8. PMID 17602473 DOI: 10.1021/Ic700619G  0.64
2007 Nagaraja CM, Parameswaran P, Jemmis ED, Jagirdar BR. Heterolytic activation of H-X (X = H, Si, B, and C) bonds: an experimental and theoretical investigation. Journal of the American Chemical Society. 129: 5587-96. PMID 17417845 DOI: 10.1021/Ja069044J  0.64
2007 Joseph J, Jemmis ED. Red-, blue-, or no-shift in hydrogen bonds: a unified explanation. Journal of the American Chemical Society. 129: 4620-32. PMID 17375920 DOI: 10.1021/Ja067545Z  0.96
2007 Jemmis ED, Parameswaran P. Structure and bonding in cyclic isomers of BAl2Hnm (n=3-6, m=-2 to +1): preference for planar tetracoordination, pyramidal tricoordination, and divalency. Chemistry (Weinheim An Der Bergstrasse, Germany). 13: 2622-31. PMID 17200929 DOI: 10.1002/Chem.200601132  0.64
2007 Rani DU, Prasad DL, Nixon JF, Jemmis ED. Electronic structure and bonding studies on triple-decker sandwich complexes with a P6 middle ring. Journal of Computational Chemistry. 28: 310-9. PMID 17103397 DOI: 10.1002/Jcc.20521  1
2006 Pathak B, Pandian S, Hosmane N, Jemmis ED. Reversal of stability on metalation of pentagonal-bipyramidal (1-MB6H7(2-) 1-M-2-CB5H7(1-) and 1-M-2,4-C2B4H7) and Icosahedral (1-MB11H12(2-) 1-M-2-CB10H12(1-) and 1-M-2,4-C2B9H12) boranes (M = Al, Ga, In, and Tl): energetics of condensation and relationship to binuclear metallocenes. Journal of the American Chemical Society. 128: 10915-22. PMID 16910687 DOI: 10.1021/Ja061399F  0.84
2006 Joseph J, Ramachary DB, Jemmis ED. Electrostatic repulsion as an additional selectivity factor in asymmetric proline catalysis. Organic & Biomolecular Chemistry. 4: 2685-9. PMID 16826292 DOI: 10.1039/B606996G  0.96
2006 Jemmis ED, Pathak B, King RB, Schaefer HF. Bond length and bond multiplicity: sigma-bond prevents short pi-bonds. Chemical Communications (Cambridge, England). 2164-6. PMID 16703142 DOI: 10.1039/B602116F  0.84
2006 Jemmis ED, Jayasree EG, Parameswaran P. Hypercarbons in polyhedral structures. Chemical Society Reviews. 35: 157-68. PMID 16444297 DOI: 10.1039/B310618G  0.64
2006 Pathak B, Pandian S, Hosmane N, Jemmis ED. Reversal of stability on metalation of pentagonal-bipyramidal (1-MB 6H7 2-, 1-M-2-CB5H7 1-, and 1-M-2,4-C2B4H7) and Icosahedral (1-MB11H12 2-, 1-M-2-CB 10H12 1- Journal of the American Chemical Society. 128: 10915-10922. DOI: 10.1021/ja061399f  0.96
2005 Jemmis ED, Pathak B, Anoop A. Condensed two- and three-dimensional aromatic systems: a theoretical study on the relative stabilities of isomers of CB19H16+, B20H15Cl, and B20H14Cl2 and comparison to B12H10Cl22-, C6H4Cl2, C10H7Cl, and C10H6Cl2. Inorganic Chemistry. 44: 7184-8. PMID 16180882 DOI: 10.1021/Ic050730D  0.84
2005 Jemmis ED, Parameswaran P, Phukan AK. Binuclear organometallic compounds containing planar tetra co-ordinated carbon atoms: Theoretical study on geometrical and bonding patterns Molecular Physics. 103: 897-903. DOI: 10.1080/00268970412331333465  0.96
2004 Burlakov VV, Arndt P, Baumann W, Spannenberg A, Rosenthal U, Parameswaran P, Jemmis ED. Reduction of 1,4-dichlorobut-2-yne by titanocene to a 1,2,3-butatriene. Formation of a 1-titanacyclopent-3-yne and a 2,5-dititanabicyclo[2.2.0]hex-1(4)-ene. Chemical Communications (Cambridge, England). 2074-5. PMID 15367981 DOI: 10.1039/B406494A  0.72
2004 Phukan AK, Kalagi RP, Gadre SR, Jemmis ED. Structure, reactivity and aromaticity of acenes and their BN analogues: a density functional and electrostatic investigation. Inorganic Chemistry. 43: 5824-32. PMID 15360231 DOI: 10.1021/Ic049690O  0.96
2004 Burlakov VV, Arndt P, Baumann W, Spannenberg A, Rosenthal U, Parameswaran P, Jemmis ED. Reduction of 1,4-dichlorobut-2-yne by titanocene to a 1,2,3-butatriene. Formation of a 1-titanacyclopent-3-yne and a 2,5-dititanabicyclo[2.2.0]hex-1(4)- ene Chemical Communications. 10: 2074-2075. DOI: 10.1039/b406494a  0.96
2003 Srinivas GN, Anoop A, Jemmis ED, Hamilton TP, Lammertsma K, Leszczynski J, Schaefer HF. Nonplanarity at tri-coordinated aluminum and gallium: cyclic structures for X3Hn(m) (X = B, Al, Ga). Journal of the American Chemical Society. 125: 16397-407. PMID 14692782 DOI: 10.1021/Ja036868H  0.96
2003 Balakrishnarajan MM, Hoffmann R, Pancharatna PD, Jemmis ED. Magic electron counts and bonding in tubular boranes. Inorganic Chemistry. 42: 4650-9. PMID 12870956 DOI: 10.1021/Ic0262435  1
2003 Giju KT, Phukan AK, Jemmis ED. Stabilization of tricoordinate pyramidal boron: theoretical studies on CBSiH5, BSi2H5, CBGeH5, and CBSnH5. Angewandte Chemie (International Ed. in English). 42: 539-42. PMID 12569484 DOI: 10.1002/Anie.200390155  0.96
2003 Jemmis ED, Phukan AK, Jiao H, Rosenthal U. Structure and Neutral Homoaromaticity of Metallacyclopentene, -pentadiene, -pentyne, and -pentatriene: A Density Functional Study Organometallics. 22: 4958-4965. DOI: 10.1021/Om034161Y  0.96
2002 Kiran B, Anoop A, Jemmis ED. Control of stability through overlap matching: closo-carborynes and closo-silaborynes. Journal of the American Chemical Society. 124: 4402-7. PMID 11960469 DOI: 10.1021/Ja016843N  0.84
2002 Jemmis ED, Balakrishnarajan MM, Pancharatna PD. Electronic requirements for macropolyhedral boranes. Chemical Reviews. 102: 93-144. PMID 11782130 DOI: 10.1021/Cr990356X  1
2002 Jemmis ED, Phukan AK, Giju KT. Dependence of the structure and stability of cyclocumulenes and cyclopropenes on the replacement of the CH2 group by titanocene and zirconocene: A density functional theory study Organometallics. 21: 2254-2261. DOI: 10.1021/Om010766N  0.96
2001 Jemmis ED, Balakrishnarajan MM. Polyhedral boranes and elemental boron: direct structural relations and diverse electronic requirements. Journal of the American Chemical Society. 123: 4324-30. PMID 11457199 DOI: 10.1021/Ja0026962  0.4
2001 Jemmis ED, Balakrishnarajan MM, Pancharatna PD. A unifying electron-counting rule for macropolyhedral boranes, metallaboranes, and metallocenes. Journal of the American Chemical Society. 123: 4313-23. PMID 11457198 DOI: 10.1021/Ja003233Z  1
2001 Kiran B, Phukan AK, Jemmis ED. Is borazine aromatic? Unusual parallel behavior between hydrocarbons and corresponding B-N analogues. Inorganic Chemistry. 40: 3615-8. PMID 11421714 DOI: 10.1021/Ic001394Y  0.96
2001 Jemmis ED, Sharma PK. A theoretical study of transition metal complexes of C60 and C70 and their ring-opened alternatives Journal of Molecular Graphics and Modelling. 19: 256-265. PMID 11391878 DOI: 10.1016/S1093-3263(00)00091-7  0.96
2001 Jemmis ED, Balakrishnarajan MM, Pancharatna PD. Missing hydrogens in B(19)H(20)(-)? Application of electron counting rule for edge-sharing macropolyhedral boranes. Inorganic Chemistry. 40: 1730-1. PMID 11312725 DOI: 10.1021/Ic015504S  1
2001 Jemmis ED, Phukan AK, Rosenthal U. Structure and bonding of metallacyclocumulenes, radialenes, butadiyne complexes and their possible interconversion: A theoretical study Journal of Organometallic Chemistry. 635: 204-211. DOI: 10.1016/S0022-328X(01)01112-3  0.96
2000 Srinivas GN, Hamilton TP, Jemmis ED, McKee ML, Lammertsma K. Will an η3-Si3H3 ligand form sandwich compounds with main group elements? Journal of the American Chemical Society. 122: 1725-1728. DOI: 10.1021/Ja992302A  0.96
2000 Mehta G, Vidya R, Sharma PK, Jemmis ED. Aza-bowls: Synthesis and molecular structure of triaza-[3]-peristylane Tetrahedron Letters. 41: 2999-3002. DOI: 10.1016/S0040-4039(00)00291-4  0.96
1999 Sharma PK, Jemmis ED, Vidya R, Mehta G. [n]peristylanes and [n]oxa[n]peristylanes (n = 3-6): A theoretical study Journal of the Chemical Society-Perkin Transactions 1. 257-262. DOI: 10.1039/A806955G  0.96
1999 Jemmis ED, Giju KT, Sundararajan K, Sankaran K, Vidya V, Viswanathan KS, Leszczynski J. An ab initio and matrix isolation infrared study of the 1:1 C2H2- CHCl3 adduct Journal of Molecular Structure. 510: 59-68. DOI: 10.1016/S0022-2860(99)00027-7  0.96
1998 Jemmis ED, Kiran B. Aromaticity in X(3)Y(3)H(6) (X = B, Al, Ga; Y = N, P, As), X(3)Z(3)H(3) (Z = O, S, Se), and Phosphazenes. Theoretical Study of the Structures, Energetics, and Magnetic Properties. Inorganic Chemistry. 37: 2110-2116. PMID 11670363 DOI: 10.1021/Ic970737Y  0.56
1996 Jemmis ED, Kiran B. Bond Localization in Annelated Benzenes: An Additivity Scheme. The Journal of Organic Chemistry. 61: 9006-9008. PMID 11667885 DOI: 10.1021/Jo9612842  0.56
1996 Jemmis ED, Subramanian G, Sastry GN, Mehta G, Shirsat RN, Gadre SR. Molecular electrostatic potential topographical studies on the structural motifs of C60 Journal of the Chemical Society-Perkin Transactions 1. 2343-2346. DOI: 10.1039/P29960002343  0.72
1995 Mehta G, Sharma GVR, Kumar MAK, Vedavyasa TV, Jemmis ED. Short synthetic approach towards the triindenotriphenylene (hemifullerene) system Journal of the Chemical Society-Perkin Transactions 1. 2529-2530. DOI: 10.1039/P19950002529  0.48
1994 Jemmis ED, Sastry GN, Mehta G. Synthetic strategies towards C70: molecular mechanics and MNDO calculations on pinakene, C28H14 and related molecules Journal of the Chemical Society-Perkin Transactions 1. 437-441. DOI: 10.1039/P29940000437  0.72
1994 Mehta G, Viswanath MB, Jemmis ED, Sastry GN. An approach to functionalized cubanes. Regioselectivities and frontier molecular orbital analysis in the addition of dimethyl cyclobutadiene-1,2-dicarboxylate to quinones Journal of the Chemical Society-Perkin Transactions 1. 433-436. DOI: 10.1039/P29940000433  0.72
1993 Sastry GN, Jemmis ED, Mehta G, Shah SR. Synthetic strategies towards C60. Molecular mechanics and MNDO study on sumanene and related structures Journal of the Chemical Society-Perkin Transactions 1. 1867-1871. DOI: 10.1039/P29930001867  0.72
1986 Pavankumar PNV, Ashok B, Jemmis ED. Agostic interactions as an alternative to octahedral ethylene-hydride complexes. β-CH bond activation Journal of Organometallic Chemistry. 315: 361-367. DOI: 10.1016/0022-328X(86)80456-9  0.96
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  0.96
1978 Schleyer PVR, Jemmis ED, Pople JA. ‘CH3O+’ and CH2O+H: High barriers to isomerization Journal of the Chemical Society, Chemical Communications. 190-191. DOI: 10.1039/C39780000190  0.64
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