{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2024,9,5]],"date-time":"2024-09-05T00:43:57Z","timestamp":1725497037484},"publisher-location":"Berlin, Heidelberg","reference-count":19,"publisher":"Springer Berlin Heidelberg","isbn-type":[{"type":"print","value":"9783540401957"},{"type":"electronic","value":"9783540448624"}],"content-domain":{"domain":[],"crossmark-restriction":false},"short-container-title":[],"published-print":{"date-parts":[[2003]]},"DOI":"10.1007\/3-540-44862-4_41","type":"book-chapter","created":{"date-parts":[[2007,12,6]],"date-time":"2007-12-06T15:39:06Z","timestamp":1196955546000},"page":"376-385","source":"Crossref","is-referenced-by-count":0,"title":["Density Functional Investigations on the C-C Bond Formation and Cleavage in Molecular Batteries"],"prefix":"10.1007","author":[{"given":"Paola","family":"Belanzoni","sequence":"first","affiliation":[],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Marzio","family":"Rosi","sequence":"additional","affiliation":[],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Antonio","family":"Sgamellotti","sequence":"additional","affiliation":[],"role":[{"role":"author","vocabulary":"crossref"}]}],"member":"297","published-online":{"date-parts":[[2003,6,18]]},"reference":[{"key":"41_CR1","doi-asserted-by":"publisher","first-page":"117","DOI":"10.1016\/S0065-3160(00)35013-4","volume-title":"Advances in Physical Organic Chemistry","author":"J.-M. Sav\u00e9ant","year":"2000","unstructured":"Sav\u00e9ant, J.-M.: Electron Transfer, Bond Breaking and Bond Formation. In: Tidwell, T.T. (eds.): Advances in Physical Organic Chemistry, Vol. 35. Academic Press, San Diego (2000) 117\u2013192"},{"volume-title":"Carbon-Carbon Bond Formation Using Organometallic Compounds","year":"1985","key":"41_CR2","unstructured":"Hartley, F.R., Patai, S. (eds.): Carbon-Carbon Bond Formation Using Organometallic Compounds. Wiley, Chichester (1985)"},{"key":"41_CR3","first-page":"957","volume-title":"Advanced Inorganic Chemistry","author":"F.A. Cotton","year":"1999","unstructured":"Cotton, F.A., Wilkinson, G., Murillo, C.A., Bochmann, M.: Advanced Inorganic Chemistry, 6th ed. Wiley, New York (1999) 957\u2013962 and references therein","edition":"6th ed."},{"key":"41_CR4","doi-asserted-by":"publisher","first-page":"9143","DOI":"10.1021\/ja993522r","volume":"122","author":"M.-H. Baik","year":"2000","unstructured":"Baik, M.-H., Ziegler, T., Schauer, C.K.: Density Functional Theory Study of Redox Pairs. 1. Dinuclear Iron Complexes That Undergo Multielectron Redox Reactions Accompanied by a Reversible Structural Change. J. Am. Chem. Soc. 122 (2000) 9143\u20139154 and references therein","journal-title":"J. Am. Chem. Soc."},{"key":"41_CR5","doi-asserted-by":"publisher","first-page":"809","DOI":"10.1002\/(SICI)1521-3773(20000218)39:4<809::AID-ANIE809>3.0.CO;2-6","volume":"39","author":"R. Rathore","year":"2000","unstructured":"Rathore, R., Le Magueres, P., Lindeman, S.V., Kochi, J.K.: A Redox-Controlled Molecular Switch Based on the Reversible C-C Bond Formation in Octamethoxytetraphenylene. Angew. Chem. Int. Ed. 39 (2000) 809\u2013812 and references therein","journal-title":"Angew. Chem. Int. Ed."},{"key":"41_CR6","first-page":"192","volume-title":"Advances in Physical Organic Chemistry","author":"R. Rathore","year":"2000","unstructured":"Rathore, R., Kochi, J.K.: Donor\/Acceptor Associations and Electron-Transfer Paradigm in Organic Reactivity. In: Tidwell, T.T. (eds.): Advances in Physical Organic Chemistry, Vol. 35. Academic Press, San Diego (2000) 192\u2013318 and references therein"},{"key":"41_CR7","doi-asserted-by":"publisher","first-page":"3098","DOI":"10.1103\/PhysRevA.38.3098","volume":"38","author":"A.D. Becke","year":"1988","unstructured":"Becke, A.D.: Density-Functional Exchange-Energy Approximation with Correct Asymptotic Behavior. Phys. Rev. A 38 (1988) 3098\u20133100","journal-title":"Phys. Rev. A"},{"key":"41_CR8","doi-asserted-by":"publisher","first-page":"8822","DOI":"10.1103\/PhysRevB.33.8822","volume":"33","author":"J.P. Perdew","year":"1986","unstructured":"Perdew, J.P.: Density-Functional Approximation for the Correlation Energy of the Inhomogeneous Electron Gas. Phys. Rev. B 33 (1986) 8822\u20138824","journal-title":"Phys. Rev. B"},{"key":"41_CR9","doi-asserted-by":"publisher","first-page":"7406","DOI":"10.1103\/PhysRevB.34.7406","volume":"34","author":"J.P. Perdew","year":"1986","unstructured":"Perdew, J.P.: Erratum Phys. Rev. B 34 (1986) 7406","journal-title":"Erratum Phys. Rev. B"},{"key":"41_CR10","unstructured":"ADF Program System Release 2.3.0 \n                    http:\/\/www.scm.com"},{"key":"41_CR11","volume-title":"Gaussian 94","author":"M.J. Frisch","year":"1995","unstructured":"Frisch, M.J., Trucks, G.W., Schlegel, H.B., Gill, P.M.W., Johnson, B.G., Robb, M.A., Cheeseman, J.R., Keith, T.A., Petersson, G.A., Montgomery, J.A., Raghavachari, K., Al-Laham, M.A., Zakrzewski, V.G., Ortiz, J.V., Foresman, J.B., Cioslowski, J., Stefanov, B.B., Nanayakkara, A., Challacombe, M., Peng, C.Y., Ayala, P.Y., Chen, W., Wong, M.W., Andres, J.L., Replogle, E.S., Gomperts, R., Martin, R.L., Fox, D.J., Binkley, J.S., Defrees, D.J., Baker, J., Stewart, J.P., Head-Gordon, M., Gonzalez, C., Pople, J.A.: Gaussian 94, Gaussian, Inc., Pittsburgh, PA, 1995"},{"key":"41_CR12","doi-asserted-by":"publisher","first-page":"1033","DOI":"10.1063\/1.1673095","volume":"52","author":"A.J.H. Wachters","year":"1970","unstructured":"Wachters, A.J.H.: Gaussian Basis Set for Molecular Wavefunctions Containing Third-Row Atoms. J. Chem. Phys. 52 (1970) 1033\u20131036","journal-title":"Chem. Phys."},{"key":"41_CR13","doi-asserted-by":"publisher","first-page":"4377","DOI":"10.1063\/1.433731","volume":"66","author":"P.J. Hay","year":"1977","unstructured":"Hay, P.J.: Gaussian Basis Sets for Molecular Calculations. The Representation of 3d Orbitals in Transition Metal Atoms. J. Chem. Phys. 66 (1977) 4377\u20134384","journal-title":"J. Chem. Phys."},{"key":"41_CR14","doi-asserted-by":"publisher","first-page":"3265","DOI":"10.1063\/1.447079","volume":"80","author":"M.J. Frisch","year":"1984","unstructured":"Frisch, M.J., Pople, J.A., Binkley, J.S.: Self-Consistent Molecular Orbital Methods. 25.Supplementary Functions for Gaussian Basis Sets. J. Chem. Phys. 80 (1984) 3265\u20133269 and references therein","journal-title":"J. Chem. Phys."},{"key":"41_CR15","doi-asserted-by":"publisher","first-page":"294","DOI":"10.1002\/jcc.540040303","volume":"4","author":"T. Clark","year":"1983","unstructured":"Clark, T., Chandrasekhar, J., Spitznagel, G.W., Schleyer, P. von R.: Ecient Diffuse Function-Augmented Basis Sets for Anion Calculations. III.The 3-21G Basis Set for First-Row Elements, Lithium to Fluorine. J. Comput. Chem. 4 (1983) 294\u2013301","journal-title":"J. Comput. Chem."},{"key":"41_CR16","doi-asserted-by":"publisher","first-page":"939","DOI":"10.1021\/ja00523a008","volume":"102","author":"J.S. Binkley","year":"1980","unstructured":"Binkley, J.S., Pople, J.A., Hehre, W.J.: Self-Consistent Molecular Orbital Methods. 21.Small Split-Valence Basis Sets for First-Row Elements. J. Am. Chem. Soc. 102 (1980) 939\u2013947","journal-title":"J. Am. Chem. Soc."},{"key":"41_CR17","doi-asserted-by":"publisher","first-page":"708","DOI":"10.1002\/(SICI)1521-3765(19990201)5:2<708::AID-CHEM708>3.0.CO;2-I","volume":"5","author":"F. Franceschi","year":"1999","unstructured":"Franceschi, F., Solari E., Floriani, C., Rosi, M., Chiesi-Villa A., Rizzoli, C.: Molecular Batteries Based on Carbon-Carbon Bond Formation and Cleavage in Titanium and Vanadium Schiff Base Complexes. Chem. Eur. J. 5 (1999) 708\u2013721","journal-title":"Chem. Eur. J."},{"key":"41_CR18","doi-asserted-by":"publisher","first-page":"1685","DOI":"10.1002\/(SICI)1521-3773(20000502)39:9<1685::AID-ANIE1685>3.0.CO;2-Q","volume":"39","author":"F. Franceschi","year":"2000","unstructured":"Franceschi, F., Solari E., Scopelliti, R., Floriani, C.: Metal-Mediated Transfer of Electrons between Two Different C-C Single Bonds That Function as Electron-Donor and Electron-Acceptor Units. Angew. Chem. Int. Ed. 39 (2000) 1685\u20131687","journal-title":"Angew. Chem. Int. Ed."},{"key":"41_CR19","doi-asserted-by":"publisher","first-page":"3052","DOI":"10.1002\/1521-3765(20010716)7:14<3052::AID-CHEM3052>3.0.CO;2-H","volume":"7","author":"C. Floriani","year":"2001","unstructured":"Floriani, C., Solari, E., Franceschi, F., Scopelliti, Belanzoni, P., Rosi, M.: Metal-Metal and Carbon-Carbon Bonds as Potential Components of Molecular Batteries. Chem. Eur. J. 7 (2001) 3052\u20133061","journal-title":"Chem. Eur. J."}],"container-title":["Lecture Notes in Computer Science","Computational Science \u2014 ICCS 2003"],"original-title":[],"link":[{"URL":"http:\/\/link.springer.com\/content\/pdf\/10.1007\/3-540-44862-4_41","content-type":"unspecified","content-version":"vor","intended-application":"similarity-checking"}],"deposited":{"date-parts":[[2019,2,26]],"date-time":"2019-02-26T10:28:42Z","timestamp":1551176922000},"score":1,"resource":{"primary":{"URL":"http:\/\/link.springer.com\/10.1007\/3-540-44862-4_41"}},"subtitle":[],"short-title":[],"issued":{"date-parts":[[2003]]},"ISBN":["9783540401957","9783540448624"],"references-count":19,"URL":"https:\/\/doi.org\/10.1007\/3-540-44862-4_41","relation":{},"ISSN":["0302-9743"],"issn-type":[{"type":"print","value":"0302-9743"}],"subject":[],"published":{"date-parts":[[2003]]}}}