Theoretical investigation of dinitrosyl complexes in Cu-zeolites as intermediates in deNOx process

citation_author=M. Iwamoto; citation_author=S. Yokoo; citation_author=K. Sakai; citation_author=S. Kagawa; citation_journal_title=J. Chem. Soc. Faraday Trans.; citation_volume=77; citation_pages=1629;citation_publication_date=1981; citation_author=M. Iwamoto; citation_author=H. Furukawa; citation_author=Y. Mine; citation_author=F. Uemura; citation_author=S. Mikuriya; citation_author=S. Kagawa; citation_journal_title=J. Chem. Soc., Chem. Commun.; citation_pages=1272;citation_publication_date=1986; citation_author=M. Iwamoto; citation_author=H. Yahiro; citation_author=Y. Yu-u; citation_author=S. Shundo; citation_author=N. Mizuno; citation_journal_title=Shokubai; citation_volume=32; citation_pages=430;citation_publication_date=1990; citation_author=P. Pietrzyk; citation_author=Z. Sojka; citation_journal_title=Studies in Surf. Sci. Cat.; citation_volume=171; citation_pages=25;citation_publication_date=2007; citation_author=P. Bazin; citation_author=O. Marie; citation_author=M. Daturi; citation_journal_title=Studies in Surf. Sci. Cat.; citation_volume=171; citation_pages=97;citation_publication_date=2007; citation_author=Y. Li; citation_author=J. Armor; citation_journal_title=Appl. Catal.; citation_volume=76; citation_pages=L1;citation_publication_date=1991; citation_author=E. Giamello; citation_author=D. Murphy; citation_author=G. Magnacca; citation_author=C. Morterra; citation_author=Y. Shioya; citation_author=T. Nomura; citation_author=M. Anpo; citation_journal_title=J. Catal.; citation_volume=136; citation_pages=510;citation_publication_date=1992; citation_author=G. Spoto; citation_author=S. Bordiga; citation_author=D. Scarano; citation_author=A. Zecchina; citation_journal_title=Catal. Lett.; citation_volume=13; citation_pages=39;citation_publication_date=1992; citation_author=S. Larsen; citation_author=A. Aylor; citation_author=A. Bell; citation_author=J. Reimer; citation_journal_title=J. Phys. Chem.; citation_volume=98; citation_pages=11533;citation_publication_date=1994; citation_author=Z. Sojka; citation_author=M. Che; citation_author=E. Giamello; citation_journal_title=J. Phys. Chem. B; citation_volume=101; citation_pages=4831;citation_publication_date=1997; citation_author=B. Wichterlova; citation_author=Z. Sobalik; citation_author=J. Dedecek; citation_journal_title=Environmental Applications of Zeolite-Containing Catalysis; citation_volume=38; citation_pages=199;citation_publication_date=1997; citation_author=B. Ganemi; citation_author=E. Björnbom; citation_author=J. Paul; citation_journal_title=Appl. Catal., B; citation_volume=17; citation_pages=293;citation_publication_date=1998; citation_author=A. Zecchina; citation_author=S. Bordiga; citation_author=G. T. Palomino; citation_author=D. Scarano; citation_author=C. Lamberti; citation_author=M. Salvalaggio; citation_journal_title=J. Phys. Chem. B; citation_volume=103; citation_pages=3833;citation_publication_date=1999; citation_author=A. Gervasini; citation_author=C. Picciau; citation_author=A. Auroux; citation_journal_title=Microporous Mesoporous Mater.; citation_volume=35–36; citation_pages=457;citation_publication_date=2000; citation_author=P. Smeets; citation_author=M. Groothaert; citation_author=R. van Teeffelen; citation_author=H. Leeman; citation_author=E. Hensen; citation_author=R. Schoonheydt; citation_journal_title=J. Catal.; citation_volume=245; citation_pages=358;citation_publication_date=2007; citation_author=P. Smeets; citation_author=B. Sels; citation_author=R. van Teeffelen; citation_author=H. Leeman; citation_author=E. Hensen; citation_author=R. Schoonheydt; citation_journal_title=J. Catal.; citation_volume=256; citation_pages=183;citation_publication_date=2008; citation_author=G. Moretti; citation_journal_title=Catal. Lett.; citation_volume=23; citation_pages=135;citation_publication_date=1994; citation_author=G. Moretti; citation_author=C. Dossi; citation_author=A. Fusi; citation_author=S. Recchia; citation_author=R. Psaro; citation_journal_title=Appl. Catal., B; citation_volume=20; citation_pages=67;citation_publication_date=1999; citation_author=M. H. Groothaert; citation_author=J. A. Vanbokhoven; citation_author=A. A. Battiston; citation_author=B. M. Weckhuysen; citation_author=R. A. Schoonheydt; citation_journal_title=J. Am. Chem. Soc.; citation_volume=125; citation_pages=7629;citation_publication_date=2003; citation_author=Y. Kuroda; citation_author=M. Iwamoto; citation_journal_title=Topics in Catal.; citation_volume=28; citation_pages=111;citation_publication_date=2004; citation_author=I. I. Zakharov; citation_author=Z. R. Ismagilov; citation_author=S. P. Ruzankin; citation_author=V. F. Anufrienko; citation_author=S. A. Yashnik; citation_author=O. I. Zakharova; citation_journal_title=J. Phys. Chem. C; citation_volume=111; citation_pages=3080;citation_publication_date=2007; citation_author=M. Iwamoto; citation_author=H. Yahiro; citation_author=N. Mizuno; citation_author=W.-X. Zhang; citation_author=Y. Mine; citation_author=H. Furukawa; citation_author=S. Kagawet; citation_journal_title=J. Phys. Chem.; citation_volume=96; citation_pages=9360;citation_publication_date=1992; citation_author=J. Valyon; citation_author=K. Hall; citation_journal_title=J. Phys. Chem.; citation_volume=97; citation_pages=1204;citation_publication_date=1993; citation_author=A. W. Aylor; citation_author=S. C. Larsen; citation_author=J. A. Reimer; citation_author=A. T. Bell; citation_journal_title=J. Catal.; citation_volume=157; citation_pages=592;citation_publication_date=1995; citation_author=G. Spoto; citation_author=A. Zecchina; citation_author=S. Bordiga; citation_author=G. Richiardi; citation_author=G. Martra; citation_author=G. Leofanti; citation_author=G. Petrini; citation_journal_title=Appl. Catal., B; citation_volume=3; citation_pages=151;citation_publication_date=1994; citation_author=T. Cheung; citation_author=S. K. Bhargava; citation_author=M. Hobday; citation_author=K. Foger; citation_journal_title=J. Catal.; citation_volume=158; citation_pages=301;citation_publication_date=1996; citation_author=M. V. Konduru; citation_author=S. S. C. Chuang; citation_journal_title=J. Phys. Chem. B; citation_volume=103; citation_pages=5802;citation_publication_date=1999; citation_author=M. Shelef; citation_journal_title=Chem. Rev.; citation_volume=95; citation_pages=209;citation_publication_date=1995; citation_author=N. Tajima; citation_author=M. Hashimoto; citation_author=F. Toyama; citation_author=A. M. El-Nahas; citation_author=K. Hirao; citation_journal_title=Phys. Chem. Chem. Phys.; citation_volume=1; citation_pages=3823;citation_publication_date=1999; citation_author=H. V. Brand; citation_author=A. Redondo; citation_author=P. J. Hay; citation_journal_title=J. Phys. Chem. B; citation_volume=101; citation_pages=7691;citation_publication_date=1997; citation_author=P. Pietrzyk; citation_author=B. Gil; citation_author=Z. Sojka; citation_journal_title=Catal. Today; citation_volume=126; citation_pages=103;citation_publication_date=2007; citation_author=B. L. Trout; citation_author=A. K. Chakraborty; citation_author=A. T. Bell; citation_journal_title=J. Phys. Chem.; citation_volume=100; citation_pages=17582;citation_publication_date=1996; citation_author=R. Ramprasad; citation_author=K. C. Hass; citation_author=W. F. Schneider; citation_author=J. B. Adams; citation_journal_title=J. Phys. Chem. B; citation_volume=101; citation_pages=6903;citation_publication_date=1997; citation_author=W. F. Schneider; citation_author=K. C. Hass; citation_author=R. Ramprasad; citation_author=J. B. Adams; citation_journal_title=J. Phys. Chem. B; citation_volume=102; citation_pages=3692;citation_publication_date=1998; citation_author=Y. Yokomichi; citation_author=T. Yamabe; citation_author=H. Ohtsuka; citation_author=T. Kakumoto; citation_journal_title=J. Phys. Chem.; citation_volume=100; citation_pages=14424;citation_publication_date=1996; citation_author=K. Koszinowski; citation_author=D. Schroder; citation_author=H. Schwarz; citation_author=M. C. Holthausen; citation_author=J. Sauer; citation_author=H. Koizumi; citation_author=P. B. Armentrout; citation_journal_title=Inorg. Chem.; citation_volume=41; citation_pages=5882;citation_publication_date=2002; citation_author=X. Solans-Monfort; citation_author=M. Sodupe; citation_author=V. Branchadell; citation_journal_title=Chem. Phys. Lett.; citation_volume=368; citation_pages=242;citation_publication_date=2003; citation_author=X. Solans-Monfort; citation_author=V. Branchadell; citation_author=M. Sodupe; citation_journal_title=J. Phys. Chem. A; citation_volume=104; citation_pages=3225;citation_publication_date=2000; citation_author=L. Rodriguez-Santiago; citation_author=M. Sierka; citation_author=V. Branchadell; citation_author=M. Sodupe; citation_author=J. Sauer; citation_journal_title=J. Am. Chem. Soc.; citation_volume=120; citation_pages=1545;citation_publication_date=1998; citation_author=P. Pietrzyk; citation_author=F. Zasada; citation_author=W. Piskorz; citation_author=A. Kotarba; citation_author=Z. Sojka; citation_journal_title=Air Pollution Abatement Catalysis (APAC) Symposium; citation_volume=119; citation_pages=219;citation_publication_date=2007; citation_author=W. F. Schneider; citation_author=K. C. Hass; citation_author=R. Ramprasad; citation_author=J. B. Adams; citation_journal_title=J. Phys. Chem. B; citation_volume=101; citation_pages=4353;citation_publication_date=1997; citation_author=M. Davidova; citation_author=D. Nachtigallova; citation_author=P. Nachtigall; citation_author=J. Sauer; citation_journal_title=J. Phys. Chem. B; citation_volume=108; citation_pages=13674;citation_publication_date=2004; citation_author=X. Solans-Monfort; citation_author=V. Branchadell; citation_author=M. Sodupe; citation_author=C. M. Zicovich-Wilson; citation_author=E. Gribov; citation_author=G. Spoto; citation_author=C. Busco; citation_author=P. Ugliengo; citation_journal_title=J. Phys. Chem. B; citation_volume=108; citation_pages=8278;citation_publication_date=2008; citation_author=E. Uzunova; citation_author=H. Mikosch; citation_author=J. Hafner; citation_journal_title=J. Phys. Chem. C; citation_volume=112; citation_pages=2632;citation_publication_date=2008; citation_author=J. P. Perdew; citation_author=K. Burke; citation_author=M. Ernzerhof; citation_journal_title=Phys. Rev. Lett.; citation_volume=77; citation_pages=3865;citation_publication_date=1996; citation_author=J. P. Perdew; citation_author=K. Burke; citation_author=M. Ernzerhof; citation_journal_title=Phys. Rev. Lett.; citation_volume=78; citation_pages=1396;citation_publication_date=1997; citation_author=A. D. Becke; citation_journal_title=J. Chem. Phys.; citation_volume=98; citation_pages=5648;citation_publication_date=1993; citation_author=C. Lee; citation_author=W. Yang; citation_author=R. G. Parr; citation_journal_title=Phys. Rev. B: Condens. Matter Mater. Phys.; citation_volume=37; citation_pages=785;citation_publication_date=1998; citation_author=A. Schaefer; citation_author=H. Horn; citation_author=R. Ahlrichs; citation_journal_title=J. Chem. Phys.; citation_volume=97; citation_pages=2571;citation_publication_date=1992; citation_author=J. Cizek; citation_journal_title=AdV. Chem. Phys.; citation_volume=14; citation_pages=35;citation_publication_date=1969; citation_author=G. D. Purvis; citation_author=R. J. Bartlett; citation_journal_title=J. Chem. Phys.; citation_volume=76; citation_pages=1910;citation_publication_date=1982; citation_author=M. W. Dolg; citation_author=U. Stoll; citation_author=H. Preuss; citation_journal_title=J. Chem. Phys.; citation_volume=86; citation_pages=866;citation_publication_date=1987; citation_author=I. Antes; citation_author=S. Dapprich; citation_author=G. Frenking; citation_author=P. Schwerdtfeger; citation_journal_title=Inorg. Chem.; citation_volume=35; citation_pages=2089;citation_publication_date=1996; citation_author=M. J. Frisch; citation_author=J. A. Pople; citation_author=J. S. Binkley; citation_journal_title=J. Chem. Phys.; citation_volume=80; citation_pages=3265;citation_publication_date=1984; citation_author=R. A. Kendall; citation_author=T. H. D., Jr; citation_author=R. J. Harrison; citation_journal_title=J. Chem. Phys.; citation_volume=96; citation_pages=6796;citation_publication_date=1992; citation_author=O. Bludsky; citation_author=M. Silhan; citation_author=P. Nachtigall; citation_author=T. Bucko; citation_author=L. Benco; citation_author=J. Hafner; citation_journal_title=J. Phys. Chem. B; citation_volume=109; citation_pages=9631;citation_publication_date=2005; citation_author=A. Vaughan; citation_journal_title=Acta Crystallogr.; citation_volume=21; citation_pages=983;citation_publication_date=1966; citation_author=D. NachtigallovÃ; citation_author=P. Nachtigall; citation_author=M. Sierka; citation_author=J. Sauer; citation_journal_title=Phys. Chem. Chem. Phys.; citation_volume=1; citation_pages=2019;citation_publication_date=1999; citation_author=P. Nachtigall; citation_author=M. Davidova; citation_author=D. Nachtigallova; citation_journal_title=J. Phys. Chem. B; citation_volume=105; citation_pages=3510;citation_publication_date=2001; citation_author=P. E. Blochl; citation_journal_title=Phys. Rev. B; citation_volume=50; citation_pages=17953;citation_publication_date=1994; citation_author=G. Kresse; citation_author=D. Joubert; citation_journal_title=Phys. Rev. B; citation_volume=59; citation_pages=1758;citation_publication_date=1999; citation_author=G. Kresse; citation_author=J. Furthmuller; citation_journal_title=Phys. Rev. B; citation_volume=54; citation_pages=11169;citation_publication_date=1996; citation_author=R. Bulanek; citation_author=H. Drobna; citation_author=P. Nachtigall; citation_author=M. Rubes; citation_author=O. Bludsky; citation_journal_title=Phys. Chem. Chem. Phys.; citation_volume=8; citation_pages=5535;citation_publication_date=2006; citation_author=P. J. Hay; citation_author=W. R. Wadt; citation_journal_title=J. Chem. Phys.; citation_volume=82; citation_pages=270;citation_publication_date=1985; citation_author=H. Yahiro; citation_author=M. Iwamoto; citation_journal_title=Appl. Catal., A; citation_volume=222; citation_pages=163;citation_publication_date=2001; citation_author=K. I. Hadjiivanov; citation_journal_title=Catal. Rev. Sci. Eng.; citation_volume=42; citation_pages=71;citation_publication_date=2000; citation_author=R. Sayos; citation_author=R. Valero; citation_author=J. M. Anglada; citation_author=M. Gonzalez; citation_journal_title=J. Chem. Phys.; citation_volume=112; citation_pages=6608;citation_publication_date=2000; citation_author=A. R. W. McKellar; citation_author=J. K. G. Watson; citation_author=B. J. Howard; citation_journal_title=Mol. Phys.; citation_volume=86; citation_pages=273;citation_publication_date=1995; citation_author=P. Nachtigall; citation_author=K. Frolich; citation_author=H. Drobna; citation_author=O. Bludsky; citation_author=D. Nachtigallova; citation_author=R. Bulanek; citation_journal_title=J. Phys. Chem. C; citation_volume=111; citation_pages=11353;citation_publication_date=2007;