Ultrafast two-step process in the non-adiabatic relaxation of the CH₂ molecule

References

• Wald , G . 1968 . Science , 162 : 230
   PubMed Web of Science ®Google Scholar
• Warshel , A . 1976 . Nature , 260 : 679
   PubMed Web of Science ®Google Scholar
• Gai , F , Hasson , KC , McDonald , JC and Anfinrud , PA . 1998 . Science , 279 : 1886
   PubMed Web of Science ®Google Scholar
• González-Luque , R , Garavelli , M , Bernardi , F , Merchán , M , Robb , MA and Olivucci , M . 2000 . PNAS , 97 : 9379
   PubMed Web of Science ®Google Scholar
• Hayashi , S and Ohmine , I . 2000 . J. Phys. Chem. B , 104 : 10678
   Web of Science ®Google Scholar
• Molnar , F , Ben-Nun , M , Martínez , TJ and Schulten , K . 2000 . J. Molec. Struc. THEOCHEM , 506 : 169
   Web of Science ®Google Scholar
• Sampedro Ruiz , D , Cembran , A , Garavelli , M , Olivucci , M and Fuß , W . 2002 . Photochem. Photobiol. , 76 : 622
   PubMed Web of Science ®Google Scholar
• Migani , A and Olivucci , M . 2004 . Conical Intersections, Advanced Series in Physical Chemistry 15 , Edited by: Domcke , W , Yarkony , DR and Köppel , H . 271 Singapore : World Scientific .
   Google Scholar
• Cembram , A , Bernardi , F , Olivucci , M and Garavelli , M . 2004 . J. Am. Chem. Soc. , 126 : 16018
   Web of Science ®Google Scholar
• Burghardt , I , Cederbaum , LS and Hynes , JT . 2004 . Faraday Discuss. , 127 : 395
   Web of Science ®Google Scholar
• Weingart , O , Migani , A , Olivucci , M , Robb , MA , Buss , V and Hunt , P . 2004 . J. Phys. Chem. A , 108 : 4685
   Web of Science ®Google Scholar
• Buss , V , Sugihara , M , Entel , P and Hafner , J . 2003 . Angew. Chem. Int. Ed. , 42 : 3245
   Web of Science ®Google Scholar
• Bonačić-Koutecký , V , Schöffel , K and Michl , J . 1987 . Theor. Chim. Acta , 72 : 459
   Google Scholar
• Du , P , Racine , SC and Davidson , ER . 1990 . J. Phys. Chem. , 64 : 3944
   Web of Science ®Google Scholar
• El-Taher , S , Hilal , RH and Albright , TA . 2001 . Int. J. Quantum Chem. , 82 : 242
   Web of Science ®Google Scholar
• Dobado , JA and Nonella , M . 1996 . J. Phys. Chem. , 100 : 18282
   Web of Science ®Google Scholar
• Garavelli , M , Vreven , T , Celani , P , Bernardi , F , Robb , MA and Olivucci , M . 1998 . J. Am. Chem. Soc. , 120 : 1285
   Web of Science ®Google Scholar
• Williams , DH and Hvistendahl , G . 1974 . J. Am. Chem. Soc. , 96 : 6753
   Web of Science ®Google Scholar
• Donchi , KF , Rumpf , BA , Willett , GD , Christie , JR and Derrick , PJ . 1998 . J. Am. Chem. Soc. , 110 : 347
   Web of Science ®Google Scholar
• Øiestad , ÅML and Uggerud , E . 1997 . Int. J. Mass Spectrom. Ion Processes , 167/168 : 117
   Web of Science ®Google Scholar
• Suárez , D and Sordo , TL . 1997 . J. Phys. Chem. A , 101 : 1561
   Web of Science ®Google Scholar
• Uggerud , E . 1999 . Mass Spectrom. Rev. , 18 : 285
   Web of Science ®Google Scholar
• Choi , TH , Park , ST and Kim , MS . 2001 . J. Chem. Phys. , 114 : 6051
   Google Scholar
• de Oliveira , G , Martin , JML , Silwal , IKC and Liebman , JF . 2001 . J. Comp. Chem. , 22 : 1297
   Web of Science ®Google Scholar
• Lischka , H , Dallos , M and Shepard , R . 2002 . Molec. Phys. , 100 : 1647
   Web of Science ®Google Scholar
• Lischka , H , Dallos , M , Szalay , PG , Yarkony , DR and Shepard , R . 2004 . J. Chem. Phys. , 120 : 7322
   PubMed Web of Science ®Google Scholar
• Dallos , M , Lischka , H , Shepard , R , Yarkony , DR and Szalay , PG . 2004 . J. Chem. Phys. , 120 : 7330
   PubMed Web of Science ®Google Scholar
• Lischka , H , Shepard , R , Brown , FB and Shavitt , I . 1981 . Int. J. Quantum Chem. , 15 : 91
   Google Scholar
• Shepard , R , Shavitt , I , Pitzer , RM , Comeau , DC , Pepper , M , Lischka , H , Szalay , PG , Ahlrichs , R , Brown , FB and Zhao , J . 1988 . Int. J. Quantum Chem. Quantum Chem. Symp. , 22 : 149
   Google Scholar
• Lischka , H , Shepard , R , Pitzer , RM , Shavitt , I , Dallos , M , Müller , Th , Szalay , PG , Seth , M , Kedziora , GS , Yabushita , S and Zhang , Z . 2001 . Phys. Chem. Chem. Phys. , 3 : 664
   Web of Science ®Google Scholar
• Lischka , H , Shepard , R , Shavitt , I , Pitzer , RM , Dallos , M , Müller , Th , Szalay , PG , Brown , FB , Ahlrichs , R , Böhm , HJ , Chang , A , Comeau , DC , Gdanitz , R , Dachsel , H , Ehrhardt , C , Ernzerhof , M , Höchtl , P , Irle , S , Kedziora , G , Kovar , T , Parasuk , V , Pepper , MJM , Scharf , P , Schiffer , H , Schindler , M , Schüler , M , Seth , M , Stahlberg , EA , Zhao , J-G , Yabushita , S and Zhang , Z . 2004 . “ COLUMBUS, release 5.9 ” . an ab initio electronic structure program. http://www.univie.ac.at/columbus
   Google Scholar
• Bunge , A . 1970 . J. Chem. Phys. , 53 : 20
   Web of Science ®Google Scholar
• Dunning , TH Jr . 1989 . J. Chem. Phys. , 90 : 1007
   Web of Science ®Google Scholar
• Kendall , RA , Dunning , TH Jr and Harrison , RJ . 1992 . J. Chem. Phys. , 96 : 6769
   Web of Science ®Google Scholar
• Shepard , R . 1995 . Modern Electronic Structure Theory Part I , Edited by: Yarkony , DR . 345 Singapore : World Scientific .
   Google Scholar
• Langhoff , SR and Davidson , ER . 1974 . Int. J. Quantum Chem. , 8 : 61
   Web of Science ®Google Scholar
• Bruna , PJ , Peyerimhoff , SD and Buenker , RJ . 1981 . Chem. Phys. Lett. , 72 : 278
   Web of Science ®Google Scholar
• Woon , DE and Dunning , TH Jr . 1994 . J. Chem. Phys. , 100 : 2975
   Web of Science ®Google Scholar
• van Mourik , T , Wilson , AK and Dunning , TH Jr . 1999 . Molec. Phys. , 96 : 529
   Web of Science ®Google Scholar
• Shepard , R . 1987 . Int. J. Quantum Chem. , 31 : 33
   Web of Science ®Google Scholar
• Shepard , R , Lischka , H , Szalay , PG , Kovar , T and Ernzerhof , M . 1992 . J. Chem. Phys. , 96 : 2085
   Web of Science ®Google Scholar
• Csázár , P and Pulay , P . 1984 . J. Molec. Struct. , 114 : 31
   Web of Science ®Google Scholar
• Fogarasi , G , Zhou , X , Taylor , PW and Pulay , P . 1992 . J. Am. Chem. Soc. , 114 : 8191
   Web of Science ®Google Scholar
• Tully , JC . 1990 . J. Chem. Phys. , 93 : 1061
   Web of Science ®Google Scholar
• Jasper , AW and Truhlar , DG . 2005 . J. Chem. Phys. , 122 : 044101
   Web of Science ®Google Scholar
• Barbatti , M , Granucci , G , Persico , M and Lischka , H . 2005 . Chem. Phys. Lett. , 401 : 276
   Web of Science ®Google Scholar
• Barbatti , M , Ruckenbauer , M and Lischka , H . 2005 . J. Chem. Phys. , 122 : 17430
   Web of Science ®Google Scholar
• Helgaker , T , Jensen , HJAa , Jørgensen , P , Olsen , J , Ruud , K , Ågren , H , Andersen , T , Bak , KL , Bakken , V , Christiansen , O , Dahle , P , Dalskov , EK , Enevoldsen , T , Heiberg , H , Hettema , H , Jonsson , D , Kirpekar , S , Kobayashi , R , Koch , H , Mikkelsen , KV , Norman , P , Packer , MJ , Saue , T , Taylor , PR and Vahtras , O . 1997 . “ DALTON, release 1.0 ” . an ab initio electronic structure program. http://www.kjemi.uio.no/software/dalton
   Google Scholar
• Hartmann , M , Pittner , J and Bonačić-Koutecký , V . 2001 . J. Chem. Phys. , 114 : 2106
   Web of Science ®Google Scholar
• Hartmann , M , Pittner , J and Bonačić-Koutecký , V . 2001 . J. Chem. Phys. , 114 : 2123
   Web of Science ®Google Scholar
• Petrongolo , C , Buenker , RJ and Peyerimhoff , SD . 1982 . J. Chem. Phys. , 76 : 3655
   Web of Science ®Google Scholar
• Barbatti , M , Paier , J and Lischka , H . 2004 . J. Chem. Phys. , 121 : 11614
   PubMed Web of Science ®Google Scholar
• Pitonak , M and Lischka , H . 2005 . Molec. Phys. , 103 : 855
   Web of Science ®Google Scholar
• Barbatti , M , Aquino , AJA and Lischka , H . 2005 . J. Phys. Chem. A , 109 : 5168
   Web of Science ®Google Scholar
• Antol , I , Eckert-Maksić , M , Müller , T , Dallos , M and Lischka , H . 2003 . Chem. Phys. Lett. , 374 : 587
   Web of Science ®Google Scholar
• Dallos , M , Müller , T and Lischka , H . 2001 . J. Chem. Phys. , 746 : 2601
   Google Scholar
• Yarkony , DR . 2001 . J. Chem. Phys. , 114 : 2601
   Web of Science ®Google Scholar
• Bonačić-Koutecký , V. , Koutecký , J and Michl , J . 1987 . Angew. Chem. Int. Ed. , 26 : 170
   Web of Science ®Google Scholar
• Michl , J and Bonačić-Koutecký , V . 1990 . Electronic Aspects of Organic Photochemistry , New York : Wiley .
   Google Scholar
• Lischka , H , Aquino , AJA , Barbatti , M and Solimannejad , M . 2005 . Lecture Notes in Computer Science , Edited by: Gervasi , O , Gavrilova , ML , Kumar , V , Laganà , A , Lee , HP , Mun , Y , Taniar , D and Tan , CJK . Vol. 3480 , 1004 Berlin : Springer-Verlag .
   Google Scholar
• Ben-Nun , M and Martínez , TJ . 1998 . Chem. Phys. Lett. , 298 : 57
   Web of Science ®Google Scholar
• Ohmine , I . 1985 . J. Chem. Phys. , 83 : 2348
   Web of Science ®Google Scholar
• Ben-Nun , M , Quenneville , J and Martínez , TJ . 2000 . J. Phys. Chem. A , 104 : 5161
   Web of Science ®Google Scholar
• Viel , A , Krawczyk , RP , Manthe , U and Domcke , W . 2004 . J. Chem. Phys. , 120 : 11000
   Web of Science ®Google Scholar
• Zilberg , S and Haas , Y . 2003 . Photochem. Photobiol. Sci. , 2 : 1256
   Web of Science ®Google Scholar