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The investigation reported in the paper focuses on the prototype CO<jats:sub>2<\/jats:sub>\u2013N<jats:sub>2<\/jats:sub> system, whose intramolecular component of the interaction is modeled in terms of a many body expansion while the intermolecular component is modeled in terms of a recently developed bonds\u2010as\u2010interacting\u2010molecular\u2010centers' approach. The main advantage of this formulation of the potential energy surface is that of being (a) truly full dimensional (i.e., all the variations of the coordinates associated with the molecular vibrations and rotations on the geometrical and electronic structure of the monomers, are explicitly taken into account without freezing any bonds or angles), (b) more flexible than other usual formulations of the interaction and (c) well suited for fitting procedures better adhering to accurate <jats:italic>ab initio<\/jats:italic> data and sensitive to experimental arrangement dependent information. Specific attention has been given to the fact that a variation of vibrational and rotational energy has a higher (both qualitative and quantitative) impact on the energy transfer when a more accurate formulation of the intermolecular interaction (with respect to that obtained when using rigid monomers) is adopted. This makes the potential energy surface better suited for the kinetic modeling of gaseous mixtures in plasma, combustion and atmospheric chemistry computational applications. \u00a9 2016 Wiley Periodicals, Inc.<\/jats:p>","DOI":"10.1002\/jcc.24359","type":"journal-article","created":{"date-parts":[[2016,3,31]],"date-time":"2016-03-31T23:09:12Z","timestamp":1459465752000},"page":"1463-1475","source":"Crossref","is-referenced-by-count":38,"title":["Energy transfer dynamics and kinetics of elementary processes (promoted) by gas\u2010phase CO<sub>2<\/sub>\u2010N<sub>2<\/sub> collisions: Selectivity control by the anisotropy of the interaction"],"prefix":"10.1002","volume":"37","author":[{"given":"Andrea","family":"Lombardi","sequence":"first","affiliation":[{"name":"Dipartimento di Chimica Biologia e Biotecnologie, Universit\u00e0 di Perugia via Elce di Sotto 8 Perugia 06123 Italy"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Fernando","family":"Pirani","sequence":"additional","affiliation":[{"name":"Dipartimento di Chimica Biologia e Biotecnologie, Universit\u00e0 di Perugia via Elce di Sotto 8 Perugia 06123 Italy"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Antonio","family":"Lagan\u00e0","sequence":"additional","affiliation":[{"name":"Dipartimento di Chimica Biologia e Biotecnologie, Universit\u00e0 di Perugia via Elce di Sotto 8 Perugia 06123 Italy"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Massimiliano","family":"Bartolomei","sequence":"additional","affiliation":[{"name":"Instituto de F\u00edsica Fundamental, Consejo Superior de Investigaciones Cient\u00edficas, Serrano 123 Madrid 28006 Spain"}],"role":[{"vocabulary":"crossref","role":"author"}]}],"member":"311","published-online":{"date-parts":[[2016,3,31]]},"reference":[{"key":"e_1_2_7_1_1","doi-asserted-by":"publisher","DOI":"10.1038\/332242a0"},{"key":"e_1_2_7_2_1","doi-asserted-by":"publisher","DOI":"10.1002\/jccs.201200242"},{"key":"e_1_2_7_3_1","doi-asserted-by":"publisher","DOI":"10.1007\/s12210-011-0132-6"},{"key":"e_1_2_7_4_1","doi-asserted-by":"crossref","first-page":"044312","DOI":"10.1063\/1.4774412","volume":"138","author":"Panesi M.","year":"2013","journal-title":"J. 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