{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2025,10,24]],"date-time":"2025-10-24T21:04:20Z","timestamp":1761339860216,"version":"3.37.3"},"publisher-location":"Cham","reference-count":59,"publisher":"Springer International Publishing","isbn-type":[{"type":"print","value":"9783319951645"},{"type":"electronic","value":"9783319951652"}],"license":[{"start":{"date-parts":[[2018,1,1]],"date-time":"2018-01-01T00:00:00Z","timestamp":1514764800000},"content-version":"unspecified","delay-in-days":0,"URL":"http:\/\/www.springer.com\/tdm"}],"content-domain":{"domain":["link.springer.com"],"crossmark-restriction":false},"short-container-title":[],"published-print":{"date-parts":[[2018]]},"DOI":"10.1007\/978-3-319-95165-2_54","type":"book-chapter","created":{"date-parts":[[2018,7,3]],"date-time":"2018-07-03T14:35:04Z","timestamp":1530628504000},"page":"773-782","update-policy":"https:\/\/doi.org\/10.1007\/springer_crossmark_policy","source":"Crossref","is-referenced-by-count":5,"title":["Formation of Nitrogen-Bearing Organic Molecules in the Reaction NH\u00a0+\u00a0C2H5: A Theoretical Investigation and Main Implications for Prebiotic Chemistry in Space"],"prefix":"10.1007","author":[{"given":"Marzio","family":"Rosi","sequence":"first","affiliation":[]},{"given":"Dimitrios","family":"Skouteris","sequence":"additional","affiliation":[]},{"given":"Piergiorgio","family":"Casavecchia","sequence":"additional","affiliation":[]},{"given":"Stefano","family":"Falcinelli","sequence":"additional","affiliation":[]},{"given":"Cecilia","family":"Ceccarelli","sequence":"additional","affiliation":[]},{"given":"Nadia","family":"Balucani","sequence":"additional","affiliation":[]}],"member":"297","published-online":{"date-parts":[[2018,7,4]]},"reference":[{"key":"54_CR1","unstructured":"The Astrochymist - Resources for Astrochemists and Interested Bystanders. http:\/\/www.astrochymist.org . Accessed 6 Mar 2018"},{"key":"54_CR2","doi-asserted-by":"publisher","first-page":"A40","DOI":"10.1051\/0004-6361\/201629506","volume":"597","author":"A Jaber Al-Edhari","year":"2017","unstructured":"Jaber Al-Edhari, A., Ceccarelli, C., Kahane, C., Viti, S., Balucani, N., Caux, E., Faure, A., Lefloch, B., Lique, F., Mendoza, E., Quenard, D., Wiesenfeld, L.: History of the solar-type protostar IRAS 16293-2422 as told by the cyanopolyynes. Astron. Astrophys. 597, A40 (2017)","journal-title":"Astron. Astrophys."},{"key":"54_CR3","doi-asserted-by":"publisher","first-page":"7","DOI":"10.1051\/0004-6361\/201731249","volume":"605","author":"C Codella","year":"2017","unstructured":"Codella, C., Ceccarelli, C., Caselli, P., Balucani, N., Barone, V., Fontani, F., Lefloch, B., Podio, L., Viti, S., Feng, S., Bachiller, R., Bianchi, E., Dulieu, F., Jim\u00e9nez-Serra, I., Holdship, J., Neri, R., Pineda, J.E., Pon, A., Sims, I., Spezzano, S., Vasyunin, A.I., Alves, F., Bizzocchi, L., Bottinelli, S., Caux, E., Chac\u00f3n-Tanarro, A., Choudhury, R., Coutens, A., Favre, C., Hily-Blant, P., Kahane, C., Jaber Al-Edhari, A., Laas, J., L\u00f3pez-Sepulcre, A., Ospina, J., Oya, Y., Punanova, A., Puzzarini, C., Quenard, D., Rimola, A., Sakai, N., Skouteris, D., Taquet, V., Testi, L., Theul\u00e9, P., Ugliengo, P., Vastel, C., Vazart, F., Wiesenfeld, L., Yamamoto, S.: Seeds of Life in Space (SOLIS). II. Formamide in protostellar shocks: evidence for gas-phase formation. Astron. Astrophys. 605, 7 (2017)","journal-title":"Astron. Astrophys."},{"key":"54_CR4","doi-asserted-by":"publisher","first-page":"56","DOI":"10.1007\/s00159-012-0056-x","volume":"20","author":"P Caselli","year":"2012","unstructured":"Caselli, P., Ceccarelli, C.: Our astrochemical heritage. Astron. Astrophys. Rev. 20, 56 (2012)","journal-title":"Astron. Astrophys. Rev."},{"key":"54_CR5","doi-asserted-by":"publisher","first-page":"427","DOI":"10.1146\/annurev.astro.38.1.427","volume":"38","author":"P Ehrenfreund","year":"2000","unstructured":"Ehrenfreund, P., Charnley, S.B.: Organic molecules in the interstellar medium, comets, and meteorites: a voyage from dark clouds to the early earth. Ann. Rev. Astron. Astrophys. 38, 427\u2013483 (2000)","journal-title":"Ann. Rev. Astron. Astrophys."},{"key":"54_CR6","doi-asserted-by":"publisher","first-page":"5473","DOI":"10.1039\/c2cs35113g","volume":"41","author":"N Balucani","year":"2012","unstructured":"Balucani, N.: Elementary reactions of N atoms with hydrocarbons: first steps towards the formation of prebiotic N-containing molecules in planetary atmospheres. Chem. Soc. Rev. 41, 5473\u20135483 (2012)","journal-title":"Chem. Soc. Rev."},{"key":"54_CR7","doi-asserted-by":"publisher","first-page":"2304","DOI":"10.3390\/ijms10052304","volume":"10","author":"N Balucani","year":"2009","unstructured":"Balucani, N.: Elementary reactions and their role in gas-phase prebiotic chemistry. Int. J. Mol. Sci. 10, 2304\u20132335 (2009)","journal-title":"Int. J. Mol. Sci."},{"issue":"H15","key":"54_CR8","doi-asserted-by":"publisher","first-page":"682","DOI":"10.1017\/S1743921310010938","volume":"5","author":"Nadia Balucani","year":"2009","unstructured":"Balucani, N.: Gas-phase prebiotic chemistry in extraterrestrial environments. In: Corbett, I.F. (ed.) Highlights of Astronomy, Proceedings of the International Astronomical Union, vol. 5, no. H15. Cambridge University Press (2009)","journal-title":"Proceedings of the International Astronomical Union"},{"key":"54_CR9","doi-asserted-by":"publisher","DOI":"10.1007\/978-1-4614-5191-4_12","volume-title":"The Early Evolution of the Atmospheres of Terrestrial Planets, Astrophysics and Space Science Proceedings","author":"N Balucani","year":"2013","unstructured":"Balucani, N.: Nitrogen fixation by photochemistry in the atmosphere of Titan and implications for prebiotic chemistry. In: Trigo-Rodriguez, J., Raulin, F., Muller, C., Nixon, C. (eds.) The Early Evolution of the Atmospheres of Terrestrial Planets, Astrophysics and Space Science Proceedings, vol. 35. Springer, New York (2013). https:\/\/doi.org\/10.1007\/978-1-4614-5191-4_12"},{"key":"54_CR10","first-page":"119","volume":"13","author":"PD Godfrey","year":"1973","unstructured":"Godfrey, P.D., Brown, R.D., Robinson, B.J., Sinclair, M.W.: Discovery of interstellar methanimine (formaldimine). Astrophys. Lett. 13, 119 (1973)","journal-title":"Astrophys. Lett."},{"key":"54_CR11","doi-asserted-by":"publisher","first-page":"L175","DOI":"10.1086\/507467","volume":"647","author":"V Vuitton","year":"2006","unstructured":"Vuitton, V., Yelle, R.V., Anicich, V.G.: The nitrogen chemistry of Titan\u2019s upper atmosphere revealed. Astrophys. J. 647, L175\u2013L178 (2006)","journal-title":"Astrophys. J."},{"key":"54_CR12","doi-asserted-by":"publisher","first-page":"27","DOI":"10.1039\/b102634h","volume":"119","author":"P Casavecchia","year":"2001","unstructured":"Casavecchia, P., Balucani, N., Cartechini, L., Capozza, G., Bergeat, A., Volpi, G.G.: Crossed beam studies of elementary reactions of N and C atoms and CN radicals of importance in combustion. Faraday Discuss. 119, 27\u201349 (2001)","journal-title":"Faraday Discuss."},{"key":"54_CR13","doi-asserted-by":"publisher","first-page":"11138","DOI":"10.1021\/jp904302g","volume":"113","author":"N Balucani","year":"2009","unstructured":"Balucani, N., Bergeat, A., Cartechini, L., Volpi, G.G., Casavecchia, P., Skouteris, D., Rosi, M.: Combined crossed molecular beam and theoretical studies of the N(2D)\u2009+\u2009CH4 reaction and implications for atmospheric models of Titan. J. Phys. Chem. A 113, 11138\u201311152 (2009)","journal-title":"J. Phys. Chem. A"},{"key":"54_CR14","doi-asserted-by":"publisher","first-page":"189","DOI":"10.1039\/c004748a","volume":"147","author":"N Balucani","year":"2010","unstructured":"Balucani, N., Leonori, F., Petrucci, R., Stazi, M., Skouteris, D., Rosi, M., Casavecchia, P.: Formation of nitriles and imines in the atmosphere of Titan: combined crossed-beam and theoretical studies on the reaction dynamics of excited nitrogen atoms N(2D) with ethane. Faraday Discuss. 147, 189\u2013216 (2010)","journal-title":"Faraday Discuss."},{"key":"54_CR15","doi-asserted-by":"publisher","first-page":"181","DOI":"10.1016\/j.pss.2005.10.008","volume":"54","author":"P Redondo","year":"2006","unstructured":"Redondo, P., Pauzat, F., Ellinger, Y.: Theoretical survey of the NH\u2009+\u2009CH3 potential energy surface in relation to Titan atmospheric chemistry. Planet. Space Sci. 54, 181\u2013187 (2006)","journal-title":"Planet. Space Sci."},{"key":"54_CR16","doi-asserted-by":"publisher","first-page":"67","DOI":"10.1016\/j.pss.2007.05.027","volume":"56","author":"PP Lavvas","year":"2008","unstructured":"Lavvas, P.P., Coustenis, A., Vardavas, I.M.: Coupling photochemistry with haze formation in Titan\u2019s atmosphere. Part II: results and validation with Cassini\/Huygens data. Planet. Space Sci. 56, 67\u201399 (2008)","journal-title":"Planet. Space Sci."},{"key":"54_CR17","doi-asserted-by":"publisher","first-page":"218","DOI":"10.1016\/j.icarus.2014.09.039","volume":"247","author":"JC Loison","year":"2015","unstructured":"Loison, J.C., H\u00e9brard, E., Dobrijevic, M., Hickson, K.M., Caralp, F., Hue, V., Gronoff, G., Venot, O., B\u00e9nilan, Y.: The neutral photochemistry of nitriles, amines and imines in the atmosphere of Titan. Icarus 247, 218\u2013247 (2015)","journal-title":"Icarus"},{"key":"54_CR18","doi-asserted-by":"publisher","first-page":"327","DOI":"10.1086\/176485","volume":"454","author":"MP Bernstein","year":"1995","unstructured":"Bernstein, M.P., Sandford, S.A., Allamandola, L.J., Chang, S., Scharberg, M.A.: Organic compounds produced by photolysis of realistic interstellar and cometary ice analogs containing methanol. Astrophys. J. 454, 327\u2013344 (1995)","journal-title":"Astrophys. J."},{"key":"54_CR19","series-title":"Lecture Notes in Computer Science","doi-asserted-by":"publisher","first-page":"47","DOI":"10.1007\/978-3-642-39637-3_4","volume-title":"Computational Science and Its Applications \u2013 ICCSA 2013","author":"M Rosi","year":"2013","unstructured":"Rosi, M., Falcinelli, S., Balucani, N., Casavecchia, P., Skouteris, D.: A Theoretical study of formation routes and dimerization of methanimine and implications for the aerosols formation in the upper atmosphere of Titan. In: Murgante, B., Misra, S., Carlini, M., Torre, Carmelo M., Nguyen, H.-Q., Taniar, D., Apduhan, Bernady O., Gervasi, O. (eds.) ICCSA 2013. LNCS, vol. 7971, pp. 47\u201356. Springer, Heidelberg (2013). https:\/\/doi.org\/10.1007\/978-3-642-39637-3_4"},{"key":"54_CR20","doi-asserted-by":"publisher","first-page":"A76","DOI":"10.1051\/0004-6361\/201526978","volume":"584","author":"D Skouteris","year":"2015","unstructured":"Skouteris, D., Balucani, N., Faginas-Lago, N., Falcinelli, S., Rosi, M.: Dimerization of methanimine and its charged species in the atmosphere of Titan and interstellar\/cometary ice analogs. Astron. Astrophys. 584, A76 (2015)","journal-title":"Astron. Astrophys."},{"key":"54_CR21","doi-asserted-by":"publisher","first-page":"L137","DOI":"10.1086\/506324","volume":"645","author":"FJ Lovas","year":"2006","unstructured":"Lovas, F.J., Hollis, J.M., Remijan, A.J., Jewell, P.R.: Detection of ketenimine (CH2CNH) in sagittarius B2(N) hot cores. Astrophys. J. 645, L137\u2013L140 (2006)","journal-title":"Astrophys. J."},{"key":"54_CR22","doi-asserted-by":"publisher","first-page":"L9","DOI":"10.1088\/2041-8205\/765\/1\/L9","volume":"765","author":"RA Loomis","year":"2013","unstructured":"Loomis, R.A., Zaleski, D.P., Steber, A.L., Neill, J.L., Muckle, M.T., Harris, B.J., Hollis, J.M., Jewell, P.R., Lattanzi, V., Lovas, F.J., Martinez Jr., O., McCarthy, M.C., Remijan, A.J., Pate, B.H., Corby, J.F.: The detection of interstellar ethanimine (CH3CHNH) from observations taken during the GBT PRIMOS survey. Astrophys. J. 765, L9 (2013)","journal-title":"Astrophys. J."},{"key":"54_CR23","doi-asserted-by":"publisher","first-page":"L10","DOI":"10.1088\/2041-8205\/765\/1\/L10","volume":"765","author":"DP Zaleski","year":"2013","unstructured":"Zaleski, D.P., Seifert, N.A., Steber, A.L., Muckle, M.T., Loomis, R.A., Corby, J.F., Martinez Jr., O., Crabtree, K.N., Jewell, P.R., Hollis, J.M., Lovas, F.J., Vasquez, D., Nyiramahirwe, J., Sciortino, N., Johnson, K., McCarthy, M.C., Remijan, A.J., Pate, B.H.: Detection of e-cyanomethanimine toward sagittarius B2(N) in the green bank telescope PRIMOS survey. Astrophys. J. 765, L10 (2013)","journal-title":"Astrophys. J."},{"key":"54_CR24","doi-asserted-by":"publisher","first-page":"20","DOI":"10.1088\/0067-0049\/204\/2\/20","volume":"204","author":"O Dutuit","year":"2013","unstructured":"Dutuit, O., Carrasco, N., Thissen, R., Vuitton, V., Alcaraz, C., Pernot, P., Balucani, N., Casavecchia, P., Canosa, A., Le Picard, S., Loison, J.-C., Herman, Z., Zabka, J., Ascenzi, D., Tosi, P., Franceschi, P., Price, S.D., Lavvas, P.: Critical review of N, N+, N2+, N++ and N2++ main production processes and reactions of relevance to Titan\u2019s atmosphere. Astrophys. J. Suppl. Ser. 204, 20 (2013)","journal-title":"Astrophys. J. Suppl. Ser."},{"key":"54_CR25","doi-asserted-by":"publisher","first-page":"7457","DOI":"10.1063\/1.480070","volume":"111","author":"N Balucani","year":"1999","unstructured":"Balucani, N., Asvany, O., Chang, A.H.H., Lin, S.H., Lee, Y.T., Kaiser, R.I., Bettinger, H.F., Schleyer, P.V.R., Schaefer III, H.F.: Crossed beam reaction of cyano radicals with hydrocarbon molecules. I. Chemical dynamics of cyanobenzene (C6H5CN; X 1A1) and perdeutero cyanobenzene (C6D5CN; X 1A1) formation from reaction of CN (X 2\u03a3+) with benzene C6H6 (X 1A1g), and d6-benzene C6D6 (X 1A1g). J. Chem. Phys. 111, 7457\u20137471 (1999)","journal-title":"J. Chem. Phys."},{"key":"54_CR26","doi-asserted-by":"publisher","first-page":"7472","DOI":"10.1063\/1.480071","volume":"111","author":"N Balucani","year":"1999","unstructured":"Balucani, N., Asvany, O., Chang, A.H.H., Lin, S.H., Lee, Y.T., Kaiser, R.I., Bettinger, H.F., Schleyer, P.V.R., Schaefer III, H.F.: Crossed beam reaction of cyano radicals with hydrocarbon molecules. II. Chemical dynamics of 1-cyano-1-methylallene (CNCH3CCCH2; X 1A\u2019) formation from reaction of CN (X 2\u03a3+) with dimethylacetylene CH3CCCH3 (X 1A1\u2032). J. Chem. Phys. 111, 7472\u20137479 (1999)","journal-title":"J. Chem. Phys."},{"key":"54_CR27","doi-asserted-by":"publisher","first-page":"2857","DOI":"10.1063\/1.479567","volume":"111","author":"LCL Huang","year":"1999","unstructured":"Huang, L.C.L., Balucani, N., Lee, Y.T., Kaiser, R.I., Osamura, Y.: Crossed beam reaction of the cyano radical, CN (X 2\u03a3+), with methylacetylene, CH3CCH (X1A1): Observation of cyanopropyne, CH3CCCN (X1A1), and cyanoallene, H2CCCHCN (X1A\u2032). J. Chem. Phys. 111, 2857\u20132860 (1999)","journal-title":"J. Chem. Phys."},{"key":"54_CR28","doi-asserted-by":"publisher","first-page":"8643","DOI":"10.1063\/1.1289529","volume":"113","author":"N Balucani","year":"2000","unstructured":"Balucani, N., Asvany, O., Chang, A.H.H., Lin, S.H., Lee, Y.T., Kaiser, R.I., Osamura, Y.: Crossed beam reaction of cyano radicals with hydrocarbon molecules. III. Chemical dynamics of vinylcyanide (C2H3CN; X 1A\u2032) formation from reaction of CN (X 2\u03a3+) with ethylene, C2H4 (X 1Ag). J. Chem. Phys. 113, 8643\u20138655 (2000)","journal-title":"J. Chem. Phys."},{"key":"54_CR29","doi-asserted-by":"publisher","first-page":"4301","DOI":"10.1021\/jp0116104","volume":"106","author":"N Balucani","year":"2002","unstructured":"Balucani, N., Asvany, O., Kaiser, R.I., Osamura, Y.: Formation of three C4H3N isomers from the reaction of CN(X2\u03a3+) with allene, H2CCCH2 (X 1A1), and methylacetylene, CH3CCH (X 1A1): a combined crossed beam and ab initio study. J. Phys. Chem. A 106, 4301\u20134311 (2002)","journal-title":"J. Phys. Chem. A"},{"key":"54_CR30","doi-asserted-by":"publisher","first-page":"1097","DOI":"10.1080\/00268971003657110","volume":"108","author":"F Leonori","year":"2010","unstructured":"Leonori, F., Hickson, K.M., Le Picard, S.D., Wang, X., Petrucci, R., Foggi, P., Balucani, N., Casavecchia, P.: Crossed-beam universal-detection reactive scattering of radical beams characterized by laser-induced fluorescence: the case of C2 and CN. Mol. Phys. 108, 1097\u20131113 (2010)","journal-title":"Mol. Phys."},{"key":"54_CR31","doi-asserted-by":"publisher","first-page":"34","DOI":"10.1016\/j.chemphys.2014.12.014","volume":"449","author":"N Balucani","year":"2015","unstructured":"Balucani, N., Leonori, F., Petrucci, R., Wang, X., Casavecchia, P., Skouteris, D., Albernaz, A.F., Gargano, R.: A combined crossed molecular beams and theoretical study of the reaction CN\u2009+\u2009C2H4. Chem. Phys. 449, 34\u201342 (2015)","journal-title":"Chem. Phys."},{"key":"54_CR32","doi-asserted-by":"publisher","first-page":"1","DOI":"10.1016\/j.cplett.2012.09.070","volume":"553","author":"F Leonori","year":"2012","unstructured":"Leonori, F., Petrucci, R., Wang, X., Casavecchia, P., Balucani, N.: A crossed beam study of the reaction CN\u2009+\u2009C2H4 at a high collision energy: the opening of a new reaction channel. Chem. Phys. Lett. 553, 1\u20135 (2012)","journal-title":"Chem. Phys. Lett."},{"key":"54_CR33","doi-asserted-by":"publisher","first-page":"5478","DOI":"10.1039\/C7CP05746F","volume":"20","author":"C Sleiman","year":"2018","unstructured":"Sleiman, C., El Dib, G., Rosi, M., Skouteris, D., Balucani, N., Canosa, A.: Low temperature kinetics and theoretical studies of the reaction CN\u2009+\u2009CH3NH2: a potential source of cyanamide and methyl cyanamide in the interstellar medium. Phys. Chem. Chem. Phys. 20, 5478\u20135489 (2018)","journal-title":"Phys. Chem. Chem. Phys."},{"key":"54_CR34","doi-asserted-by":"publisher","first-page":"699","DOI":"10.1021\/ar000112v","volume":"34","author":"RI Kaiser","year":"2001","unstructured":"Kaiser, R.I., Balucani, N.: The formation of nitriles in hydrocarbon rich atmospheres of planets and their satellites: laboratory investigations by the crossed molecular beam technique. Acc. Chem. Res. 34, 699 (2001)","journal-title":"Acc. Chem. Res."},{"key":"54_CR35","doi-asserted-by":"publisher","first-page":"892","DOI":"10.1086\/317848","volume":"545","author":"N Balucani","year":"2000","unstructured":"Balucani, N., Asvany, O., Huang, L.C.L., Lee, Y.T., Kaiser, R.I., Osamura, Y., Bettinger, H.F.: Neutral-neutral reactions in the interstellar medium iii: formation of nitriles via reaction of cyano radicals, CN(X2\u03a3+), with unsaturated hydrocarbons. Astrophys. J. 545, 892 (2000)","journal-title":"Astrophys. J."},{"key":"54_CR36","doi-asserted-by":"publisher","first-page":"L177","DOI":"10.1086\/341227","volume":"571","author":"DE Woon","year":"2002","unstructured":"Woon, D.E.: Pathways to glycine and other amino acids in ultraviolet-irradiated astrophysical ices determined via quantum chemical modelling. Astrophys. J. 571, L177\u2013L180 (2002)","journal-title":"Astrophys. J."},{"key":"54_CR37","doi-asserted-by":"publisher","first-page":"129","DOI":"10.3847\/0004-637X\/824\/2\/129","volume":"824","author":"D Quan","year":"2016","unstructured":"Quan, D., Herbst, E., Corby, J.F., Durr, A., Hassel, G.: Chemical simulations of prebiotic molecules: interstellar ethanimine isomers. Astrophys. J. 824, 129\u2013142 (2016)","journal-title":"Astrophys. J."},{"key":"54_CR38","doi-asserted-by":"publisher","first-page":"139","DOI":"10.3847\/1538-4357\/aa984d","volume":"853","author":"M Sil","year":"2018","unstructured":"Sil, M., Gorai, P., Das, A., Bhat, B., Etim, E.E., Chakrabarti, S.K.: Chemical modeling for predicting the abundances of certain aldimines and imines in hot cores. Astrophys. J. 853, 139\u2013158 (2018)","journal-title":"Astrophys. J."},{"key":"54_CR39","doi-asserted-by":"publisher","first-page":"111","DOI":"10.1088\/0004-637X\/810\/2\/111","volume":"810","author":"F Vazart","year":"2015","unstructured":"Vazart, F., Latouche, C., Skouteris, D., Balucani, N., Barone, V.: Cyanomethanimine isomers in cold interstellar clouds: insights from electronic structure and kinetic calculations. Astrophys. J. 810, 111 (2015)","journal-title":"Astrophys. J."},{"key":"54_CR40","doi-asserted-by":"publisher","first-page":"5309","DOI":"10.1063\/1.469257","volume":"102","author":"LJ Stief","year":"1995","unstructured":"Stief, L.J., Nesbitt, F.L., Payne, W.A., Kuo, S.C., Tao, W., Klemm, R.B.: Rate constant and reaction channels for the reaction of atomic nitrogen with the ethyl radical. J. Chem. Phys. 102, 5309\u20135317 (1995)","journal-title":"J. Chem. Phys."},{"key":"54_CR41","doi-asserted-by":"publisher","first-page":"133","DOI":"10.1016\/j.theochem.2005.02.081","volume":"725","author":"Y Yang","year":"2005","unstructured":"Yang, Y., Zhang, W., Pei, S., Shao, J., Huang, W., Gao, X.: Theoretical study on the mechanism of the N(4S) + C2H5 reaction. J. Mol. Struc.: THEOCHEM 725, 133\u2013138 (2005)","journal-title":"J. Mol. Struc.: THEOCHEM"},{"key":"54_CR42","doi-asserted-by":"publisher","first-page":"466","DOI":"10.1002\/ange.200460310","volume":"117","author":"G Petris de","year":"2005","unstructured":"de Petris, G., Cacace, F., Cipollini, R., Cartoni, A., Rosi, M., Troiani, A.: Experimental detection of theoretically predicted N2CO. Angew. Chem. 117, 466\u2013469 (2005)","journal-title":"Angew. Chem."},{"key":"54_CR43","doi-asserted-by":"publisher","first-page":"5648","DOI":"10.1063\/1.464913","volume":"98","author":"AD Becke","year":"1993","unstructured":"Becke, A.D.: Density functional thermochemistry. III. The role of exact exchange. J. Chem. Phys. 98, 5648\u20135652 (1993)","journal-title":"J. Chem. Phys."},{"key":"54_CR44","doi-asserted-by":"publisher","first-page":"11623","DOI":"10.1021\/j100096a001","volume":"98","author":"PJ Stephens","year":"1994","unstructured":"Stephens, P.J., Devlin, F.J., Chablowski, C.F., Frisch, M.J.: Ab initio calculation of vibrational absorption and circular dichroism spectra using density functional force fields. J. Phys. Chem. 98, 11623\u201311627 (1994)","journal-title":"J. Phys. Chem."},{"key":"54_CR45","doi-asserted-by":"publisher","first-page":"359","DOI":"10.1146\/annurev.pc.32.100181.002043","volume":"32","author":"RJ Bartlett","year":"1981","unstructured":"Bartlett, R.J.: Many-body perturbation theory and coupled cluster theory for electron correlation in molecules. Annu. Rev. Phys. Chem. 32, 359\u2013401 (1981)","journal-title":"Annu. Rev. Phys. Chem."},{"key":"54_CR46","doi-asserted-by":"publisher","first-page":"479","DOI":"10.1016\/S0009-2614(89)87395-6","volume":"157","author":"K Raghavachari","year":"1989","unstructured":"Raghavachari, K., Trucks, G.W., Pople, J.A., Head-Gordon, M.: Quadratic configuration interaction. A general technique for determining electron correlation energies. Chem. Phys. Lett. 157, 479\u2013483 (1989)","journal-title":"Chem. Phys. Lett."},{"key":"54_CR47","doi-asserted-by":"publisher","first-page":"8007","DOI":"10.1063\/1.471518","volume":"104","author":"J Olsen","year":"1996","unstructured":"Olsen, J., Jorgensen, P., Koch, H., Balkova, A., Bartlett, R.J.: Full configuration\u2013interaction and state of the art correlation calculations on water in a valence double-zeta basis with polarization functions. J. Chem. Phys. 104, 8007\u20138015 (1996)","journal-title":"J. Chem. Phys."},{"key":"54_CR48","doi-asserted-by":"publisher","first-page":"1007","DOI":"10.1063\/1.456153","volume":"90","author":"TH Dunning Jr","year":"1989","unstructured":"Dunning Jr., T.H.: Gaussian basis sets for use in correlated molecular calculations. I. The atoms boron through neon and hydrogen. J. Chem. Phys. 90, 1007\u20131023 (1989)","journal-title":"J. Chem. Phys."},{"key":"54_CR49","doi-asserted-by":"publisher","first-page":"449","DOI":"10.1002\/ijch.199300051","volume":"33","author":"C Peng","year":"1993","unstructured":"Peng, C., Schlegel, H.B.: Combining synchronous transit and Quasi-Newton methods to find transition states. Isr. J. Chem. 33, 449\u2013454 (1993)","journal-title":"Isr. J. Chem."},{"key":"54_CR50","doi-asserted-by":"publisher","first-page":"49","DOI":"10.1002\/(SICI)1096-987X(19960115)17:1<49::AID-JCC5>3.0.CO;2-0","volume":"17","author":"C Peng","year":"1996","unstructured":"Peng, C., Ayala, P.Y., Schlegel, H.B., Frisch, M.J.: Using redundant internal coordinates to optimize geometries and transition states. J. Comput. Chem. 17, 49\u201356 (1996)","journal-title":"J. Comput. Chem."},{"key":"54_CR51","doi-asserted-by":"publisher","first-page":"2154","DOI":"10.1063\/1.456010","volume":"90","author":"C Gonzalez","year":"1989","unstructured":"Gonzalez, C., Schlegel, H.B.: An improved algorithm for reaction path following. J. Chem. Phys. 90, 2154\u20132161 (1989)","journal-title":"J. Chem. Phys."},{"key":"54_CR52","doi-asserted-by":"publisher","first-page":"5523","DOI":"10.1021\/j100377a021","volume":"94","author":"C Gonzalez","year":"1990","unstructured":"Gonzalez, C., Schlegel, H.B.: Reaction path following in mass-weighted internal coordinates. J. Phys. Chem. 94, 5523\u20135527 (1990)","journal-title":"J. Phys. Chem."},{"key":"54_CR53","unstructured":"Frisch, M.J., Trucks, G.W., Schlegel, H.B., Scuseria, G.E., Robb, M.A., Cheeseman, J.R., Scalmani, G., Barone, V., Mennucci, B., Petersson, G.A., Nakatsuji, H., Caricato, M., Li, X., Hratchian, H.P., Izmaylov, A.F., Bloino, J., Zheng, G., Sonnenberg, J.L., Hada, M., Ehara, M., Toyota, K., Fukuda, R., Hasegawa, J., Ishida, M., Nakajima, T., Honda, Y., Kitao, O., Nakai, H., Vreven, T., Montgomery, J.A., Jr., Peralta, J.E., Ogliaro, F., Bearpark, M., Heyd, J.J., Brothers, E., Kudin, K.N., Staroverov, V.N., Kobayashi, R., Normand, J., Raghavachari, K., Rendell, A., Burant, J.C., Iyengar, S.S., Tomasi, J., Cosi, M., Rega, N., Milla, J.M., Klene, M., Knox, J.E., Cross, J.B., Bakken, V., Adamo, C., Jaramillo, J., Gomperts, R., Stratmann, R.E., Yazyev, O., Austin, A.J., Cammi, R., Pomelli, C., Ochterski, J.W., Martin, R.L., Morokuma, K., Zakrzewski, V.G., Voth, G.A., Salvador, P., Dannenberg, J.J., Dapprich, S., Daniels, A.D., Farkas, O., Foresman, J.B., Ortiz, J.V., Cioslowski, J., Fox, D.J.: Gaussian 09, Revision A.02. Gaussian, Inc., Wallingford (2009)"},{"key":"54_CR54","unstructured":"Fl\u00fckiger, P., L\u00fcthi, H.P., Portmann, S., Weber, J.: MOLEKEL 4.3, Swiss Center for Scientific Computing, Manno, Switzerland, 2000\u20132002"},{"key":"54_CR55","doi-asserted-by":"crossref","first-page":"766","DOI":"10.2533\/chimia.2000.766","volume":"54","author":"S Portmann","year":"2000","unstructured":"Portmann, S., L\u00fcthi, H.P.: MOLEKEL: an interactive molecular graphics tool. Chimia 54, 766\u2013769 (2000)","journal-title":"Chimia"},{"key":"54_CR56","doi-asserted-by":"publisher","DOI":"10.1017\/CBO9780511614125","volume-title":"Molecular Reaction Dynamics","author":"RD Levine","year":"2005","unstructured":"Levine, R.D.: Molecular Reaction Dynamics. Cambridge University Press, Cambridge (2005)"},{"key":"54_CR57","doi-asserted-by":"publisher","first-page":"24","DOI":"10.1088\/0004-637X\/754\/1\/24","volume":"754","author":"A Rimola","year":"2012","unstructured":"Rimola, A., Sodupe, M., Ugliengo, P.: Computational study of interstellar glycine formation occurring at radical surfaces of water-ice dust particles. Astrophys. J. 754, 24 (2012)","journal-title":"Astrophys. J."},{"key":"54_CR58","doi-asserted-by":"publisher","first-page":"137","DOI":"10.1007\/s12210-011-0122-8","volume":"22","author":"A Rimola","year":"2011","unstructured":"Rimola, A., Sodupe, M., Ugliengo, P.: In silico study of the interstellar prebiotic formation and delivery of glycine. Rend. Fis. Acc. Lincei 22, 137 (2011)","journal-title":"Rend. Fis. Acc. Lincei"},{"key":"54_CR59","doi-asserted-by":"publisher","first-page":"2972","DOI":"10.1021\/jp076221+","volume":"112","author":"DM Koch","year":"2008","unstructured":"Koch, D.M., Toubin, C., Peslherbe, G.H., Hynes, H.T.: A theoretical study of the formation of the aminoacetonitrile precursor of glycine on icy grain mantles in the interstellar medium. J. Phys. Chem. C 112, 2972\u20132980 (2008)","journal-title":"J. Phys. Chem. C"}],"container-title":["Lecture Notes in Computer Science","Computational Science and Its Applications \u2013 ICCSA 2018"],"original-title":[],"link":[{"URL":"http:\/\/link.springer.com\/content\/pdf\/10.1007\/978-3-319-95165-2_54","content-type":"unspecified","content-version":"vor","intended-application":"similarity-checking"}],"deposited":{"date-parts":[[2022,8,26]],"date-time":"2022-08-26T22:41:35Z","timestamp":1661553695000},"score":1,"resource":{"primary":{"URL":"http:\/\/link.springer.com\/10.1007\/978-3-319-95165-2_54"}},"subtitle":[],"short-title":[],"issued":{"date-parts":[[2018]]},"ISBN":["9783319951645","9783319951652"],"references-count":59,"URL":"https:\/\/doi.org\/10.1007\/978-3-319-95165-2_54","relation":{},"ISSN":["0302-9743","1611-3349"],"issn-type":[{"type":"print","value":"0302-9743"},{"type":"electronic","value":"1611-3349"}],"subject":[],"published":{"date-parts":[[2018]]}}}