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Molecular Physics
An International Journal at the Interface Between Chemistry and Physics
Volume 104, 2006 - Issue 5-7: A Special Issue in Honour of Professor Michael Albert Robb
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Original Articles

Excited state intramolecular proton transfer in 1-(trifluoroacetylamino)naphthaquinone: a CASPT2//CASSCF computational study

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Pages 943-955 | Received 24 Apr 2005, Accepted 09 Aug 2005, Published online: 21 Feb 2007

References

  • Weller , A . 1955 . Naturwissenschaften , 42 : 175
  • Sengupta , PK and Kasha , M . 1979 . Chem. Phys. Lett. , 68 : 382
  • Smith , TP , Zaklika , KA , Thakur , K , Walker , GC , Tominaga , K and Barbara , PF . 1991 . J. Phys. Chem. , 95 : 10465
  • Elsaesser , T , Kaiser , W and Lüttke , W . 1986 . J. Phys. Chem. , 90 : 2901
  • Legourrierec , D , Ormson , SM and Brown , RG . 1994 . Prog. Reaction Kinetics , 19 : 211
  • Ormson , SM and Brown , RG . 1994 . Prog. Reaction Kinetics , 19 : 45
  • Mitchell , P . 1961 . Nature (London) , 191 : 144
  • Arnaut , LG and Formosinho , SJ . 1993 . J. Photochem. Photobiol. A , 75 : 1
  • Neuwahl , FVR , Foggi , P and Brown , RG . 2000 . Chem. Phys. Lett. , 319 : 157
  • Mitra , S , Das , R , Bhattacharyya , SP and Mukherjee , S . 1997 . J. Phys. Chem. A , 101 : 293
  • Moller , S , Andersen , KB , Spanget-Larsen , J and Waluk , J . 1998 . Chem. Phys. Lett. , 291 : 51
  • Prieto , FR , Rodriguez , MCR , Gonzalez , MM and Fernandez , MAR . 1994 . J. Phys. Chem. , 98 : 8666
  • Maheshwari , S , Chowdhury , A , Sathyamurthy , N , Mishra , H , Tripathi , HB , Panda , M and Chandrasekhar , J . 1999 . J. Phys. Chem. A , 103 : 6257
  • Chou , PT , McMorrow , D , Aartsma , TJ and Kasha , M . 1984 . J. Phys. Chem. , 88 : 4596
  • Ernsting , NP and Nikolaus , B . 1986 . Appl. Phys. B-Lasers Opt. , 39 : 155
  • Ferrer , ML , Acuna , AU , Amatguerri , F , Costela , A , Figuera , JM , Florido , F and Sastre , R . 1994 . Appl Opt. , 33 : 2266
  • Jones , G and Rahman , MA . 1994 . J. Phys. Chem. , 98 : 13028
  • Liphardt , M , Goonesekera , A , Jones , BE , Ducharme , S , Takacs , JM and Zhang , L . 1994 . Science , 263 : 367
  • Douhal , A and Sastre , R . 1994 . Chem. Phys. Lett. , 219 : 91
  • Kuldova , K , Corval , A , Trommsdorff , HP and Lehn , JM . 1997 . J. Phys. Chem. A , 101 : 6850
  • Martinez , ML , Cooper , WC and Chou , PT . 1992 . Chem. Phys. Lett. , 193 : 151
  • Heller , HJ and Blattmann , HR . 1973 . Pure Appl. Chem. , 36 : 141
  • Werner , T . 1979 . J. Phys. Chem. , 83 : 320
  • Tarkka , RM , Chen , XL and Jenekhe , SA . 1997 . Photonic And Optoelectronic Polymers , Edited by: Jenekhe , SA and Wynne , KJ . 475 Washington, D.C. : American Chemical Society .
  • Neuwahl , FVR , Bussotti , L , Righini , R and Buntinx , G . 2001 . Phys. Chem. Chem. Phys. , 3 : 1277
  • Srivatsavoy , VJP and Venkataraman , B . 1990 . Chem. Phys. Lett. , 174 : 406
  • Schmidtke , SJ , Underwood , DF and Blank , DA . 2004 . J. Am. Chem. Soc. , 126 : 8620
  • Andersson , K , Malmqvist , P.-Å and Roos , BO . 1992 . J. Chem. Phys. , 96 : 1218
  • Roos , BO . 1987 . Ab Initio Methods in Quantum Chemistry II , 399 Chichester : John Wiley & Sons .
  • Frisch , MJ , Trucks , GW , Schlegel , HB , Scuseria , GE , Robb , MA , Cheeseman , JR , Zakrzewski , VG , Montgomery , JA , Stratmann , RE , Burant , JC , Dapprich , S , Millam , JM , Daniels , AD , Kudin , KN , Strain , MC , Farkas , O , Tomasi , J , Barone , V , Cossi , M , Cammi , R , Mennucci , B , Pomelli , C , Adamo , C , Clifford , S , Ochterski , J , Petersson , GA , Ayala , PY , Cui , Q , Morokuma , K , Malick , DK , Rabuck , AD , Raghavachari , K , Foresman , JB , Cioslowski , J , Ortiz , JV , Stefanov , BB , Liu , G , Liashenko , A , Piskorz , P , Komaromi , I , Gomperts , R , Martin , RL , Fox , DJ , Keith , T , Al-Laham , MA , Peng , CY , Nanayakkara , A , Gonzalez , C , Challacombe , M , Gill , PMW , Johnson , BG , Chen , W , Wong , MW , Andres , JL , Head-Gordon , M , Replogle , ES and Pople , JA . 1998 . Gaussian 98, A1 , Pittsburgh, PA : Gaussian Inc. .
  • Andersson , K , Barysz , M , Bernhardsson , A , Blomberg , MRA , Carissan , Y , Cooper , DL , Cossi , M , Fleig , T , Fülscher , MP , Gagliardi , L , deGraaf , C , Hess , BA , Karlström , G , Lindh , R , Malmqvist , P.-Å , Neogrády , P , Olsen , J , Roos , BO , Schimmelpfennig , B , Schütz , M , Seijo , L , Serrano-Andres , L , Siegbahn , PEM , Stålring , J , Thorsteinsson , T , Veryazov , V , Wierzbowska , M and Widmark , P-O . 2001 . MOLCAS, 5.2 , Chemistry Center, , University of Lund, Lund, Sweden : Department of Theoretical Chemistry .
  • Malmqvist , P-Å. 1986 . Int. J. Quantum Chem. , 30 : 479
  • Malmqvist , P-Å. and Roos , BO . 1989 . Chem. Phys. Lett. , 155 : 189
  • Jorgensen , WL , Briggs , JM and Contreras , ML . 1990 . J. Phys. Chem. , 94 : 1683
  • Jorgensen , WL and Briggs , JM . 1988 . Mol. Phys. , 63 : 547
  • Jorgensen , WL , Chandrasekhar , J , Madura , JD , Impey , RW and Klein , M . 1983 . J. Chem. Phys. , 79 : 926
  • Dewar , MJS , Zoebisch , ZEG , Healy , EF and Stewart , JJP . 1985 . J. Am. Chem. Soc. , 107 : 3902
  • Stewart , JJP . 1990 . J. Comput.-aided Mol. Design , 4 : 1
  • Gao , J . 1994 . Modeling the Hydrogen Bond , Edited by: Smith , DA . 8 Washington, D.C. : American Chemical Society .
  • Owicki , JC and Scheraga , HA . 1977 . Chem. Phys. Lett. , 47 : 600
  • Owicki , JC . 1978 . Computer Modeling of Matter , Edited by: Lykos , P . 159 Washington, D.C. : American Chemical Society .
  • Gao , J . 2001 . MCQUM , Minneapolis : University of Minnesota .
  • Stewart , JJP . 1990 . J. Compt.-aided Desg. , 4 : 1
  • Carrabba , MM , Kenny , JE , Moomaw , WR , Cordes , J and Denton , M . 1985 . J. Phys. Chem. , 89 : 674
  • Innes , KK , McSwiney , HDJ , Simmons , JD and Tilford , SG . 1969 . J. Mol. Spectrosc. , 31 : 76
  • Pisanias , MN , Christophorou , LG , Carter , CJG and McCorkle , MDL . 1972 . J. Chem. Phys. , 58 : 2110
  • Shatz , GC and Ratner , MA . 2002 . Quantum Mechanics in Chemistry , 259 Mineola, NY : Dover Publications Inc. .

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