Parametric representation of the low-energy portion of the water–carbon dioxide G3(MP2)//B3LYP electronic energy surface. Variations on the theme developed by Professor B. Widom in his PhD dissertation

References

• Terlouw , JK , Lebrilla , CB and Schwarz , H . 1987 . Angew. Chem. Int. Ed. Eng. , 26 : 354
   Web of Science ®Google Scholar
• Hage W Liedl KR Hallbrucker A Mayer E Science 279 1332 1998 W. Hage, A. Hallbrucker, E. Mayer. J. Am. chem. Soc., 115 8427 (1993)
   PubMedGoogle Scholar
• Peterson , KI and Kiemperer , W . 1984 . J. chem. Phys. , 80 : 2439
   Web of Science ®Google Scholar
• Peterson , KI , Suenram , RD and Lovas , FJ . 1991 . J. chem. Phys. , 94 : 106
   Google Scholar
• Loerting , T , Tautermann , C , Kroemer , RT , Kohl , I , Hallbrucker , A , Mayer , E and Liedl , KR . 2000 . Angew. Chem. Int. Ed. , 39 : 891
   PubMedGoogle Scholar
• Jacox ME Bauer SH J. phys. Chem. 61 833 1957 For more recent measurements of CO2/H2O relaxation times see D.F. Helter, C.B. Moore. J. chem. Phys., 52, 1005 (1970) and V. Joly, A. Robin. Aerosp. Sci. Technol. 4 229 (1999)
   Google Scholar
• Zener C Phys. Rev. 37 556 1931 38, 277 (1931)
   Google Scholar
• Barker JR (ed.) Advances in Chemical Kinetics and Dynamics JR. Barker 8 Chapters written by 29 Contributors JAI Press, Inc. Greenwood CN 1995
   Google Scholar
• Widom B Bauer SH J. chem. Phys. 21 1670 1953 For an alternate model see E.A. Andreev Chem. Phys. Lett., 40 106 (1970)
   Google Scholar
• Frisch MJ Trucks GW Schlegel HB Scuseria GE Robb MA Cheeseman JR Montgomery JA Jr. Vreven T Kudin KN Burant JC Millam JM Iyengar SS Tomasi J Barone V Mennucci B Cossi M Scalmani G Rega N Petersson GA Nakatsuji H Hada M Ehara M Toyota K Fukuda R Hasegawa J Ishida M Nakajima T Honda Y Kitao O Nakai H Klene M Li X Knox JE Hratchian HP Cross JB Adamo C Jaramillo J Gomperts R Stratmann RE Yazyev O Austin AJ Cammi R Pomelli C Ochterski JW Ayala PY Morokuma K Voth GA Salvador P Dannenberg JJ Zakrzewski VG Dapprich S Daniels AD Strain MC Farkas O Malick DK Rabuck AD Raghavachari K Foresman JB Ortiz JV Cui Q Baboul AG Clifford S Cioslowski J Stefanov BB Liu G Liashenko A Piskorz P Komaromi I Martin RL Fox DJ Keith T Al-Laham MA Peng CY Nanayakkara A Challacombe M Gill PMW Johnson B Chen W Wong MW Gonzalez C Pople JA Gaussian 03, Revision B.04, Gaussian, Inc
   Google Scholar
• Baboul , AG , Curtiss , LA , Redfern , PC and Raghavachari , K . 1999 . J. chem. Phys. , 110 : 7650
   Web of Science ®Google Scholar
• Borland Software Corporation 100 Enterprise Way, Scotts Valley CA 95066-3249
   Google Scholar
• NIST provides a number of linear least squares regression problems with computational difficulty ranging from ‘easy’ to ‘higher level of difficulty’ along with certified answers for each. The problems and results can be downloaded at http://www.itl.nist.gov/div898/strd/
   Google Scholar
• Block , PA , Marshall , MD , Pederson , LG and Miller , RE . 1992 . J. chem. Phys. , 96 : 7321
   Web of Science ®Google Scholar
• Kieniger , M and Ventura , ON . 1997 . J. mol. Struct. (Theochem) , 390 : 157
   Google Scholar
• Sadlej , J , Makarewicz , J and Chatasiriski , GJ . 1998 . Chem. Phys. , 109 : 3919
   Google Scholar
• Simon , S , Duran , M and Dannenberg , JJ . 1996 . J. chem. Phys. , 105 : 11024
   Web of Science ®Google Scholar
• Boys , SF and Bernardi , F . 1970 . Mol. Phys. , 19 : 553
   Web of Science ®Google Scholar
• Makarewicz , J , Ha , TK and Bauder , A . 1993 . J. chem. Phys. , 99 : 3694
   Web of Science ®Google Scholar
• Hermida-Ramón , JM and Rios , MA . 1998 . J. phys. Chem. A , 102 : 2594
   Google Scholar
• Herzberg G Molecular Spectra and Molecular Structure II Infrared and Raman Spectra of Polyatomic Molecules pp. 186–187 D. van Nostrand, ew York 1945
   Google Scholar