References
- Steinfeld , JI , Francisco , JS and Hase , WL . 1998 . Chemical Kinetics and Dynamics , 2nd , Upper Saddle River, NJ : Princeton Hall .
- Truhlar , DG and Garret , BC . 1992 . Acc. Chem. Res. , 13 : 440
- Carpenter , BK . 1992 . Acc. Chem. Res. , 25 : 520
- Hase , WL . 1998 . Acc. Chem. Res. , 31 : 659
- Mann , DJ and Hase , WL . 2002 . J. Am. Chem. Soc. , 124 : 3208
- Hase , WL and Bhalla , KC . 1981 . J. Chem. Phys. , 75 : 2807
- Hase , WL , Buckowski , DG and Swamy , KN . 1983 . J. Phys. Chem. , 87 : 2754
- Peslherbe , GH and Hase , WL . 1996 . J. Chem. Phys. , 104 : 7882
- Vayner , G , Addepalli , SV Song , K . 2006 . J. Chem. Phys. , 125 : 014317
- Baer , T and Hase , WL . 1996 . Unimolecular Reaction Dynamics. Theory and Experiments , New York : Oxford University Press .
- Fukui , K . 1970 . J. Phys. Chem. , 74 : 4161
- Chandrasekhar , J , Smith , SF and Jorgensen , WL . 1984 . J. Am. Chem. Soc. , 106 : 3049
- Gao , J and Truhlar , DG . 2002 . Annu. Rev. Phys. Chem. , 53 : 467
- Hase , WL . 1986 . J. Phys. Chem. , 90 : 365
- Uzer , T . 1991 . Phys. Rep. , 199 : 73
- Chesnavich , WJ and Bowers , MT . 1979 . Gas Phase Ion Chemistry , Edited by: Bowers , MT . Vol. 1 , 119 New York : Academic .
- Quack , M and Troe , J . 1975 . Ber. Bunsenges. Phys. Chem. , 79 : 470
- Klippenstein , SJ and Marcus , RA . 1989 . J. Chem. Phys. , 91 : 2280
- Bolton , K , Hase , WL and Peslherbe , GH . 1998 . Modern Methods for Mutidimentional Dynamics Computations in Chemistry , Edited by: Tompson , DL . 143 Singapore : World Scientific .
- Hase , WL , Mrowka , G Brudzynski , RJ . 1978 . J. Chem. Phys. , 69 : 3548
- Vande Linde , SR and Hase , WL . 1990 . J. Phys. Chem. , 94 : 2778
- Burkert , U and Allinger , NL . 1982 . Molecular Mechanics , Washington D. C. : American Chemical Society .
- Levine , RD and Bernstein , RB . 1987 . Molecular Reaction Dynamics and Chemical Reactivity , New York : Oxford University Press .
- Sun , L and Hase , WL . 2003 . Review in Computational Chemistry , Edited by: Lipkowitz , K , Larter , R and Cundari , TR . Vol. 19 , 79 New York : Willey .
- Hase , WL , Song , K and Gordon , MS . 2003 . Comput. Sci. Eng. , 5 : 36
- Wang , ISY and Karplus , M . 1973 . J. Am. Chem. Soc. , 95 : 8160
- LeForestier , C . 1978 . J. Chem. Phys. , 68 : 4406
- Wang , H , Peslherbe , GH and Hase , WL . 1994 . J. Am Chem. Soc. , 116 : 9644
- Sun , L and Hase , WL . 2004 . J. Chem. Phys. , 121 : 8831
- Dong , E , Sester , DW Hase , WL . 2006 . J. Phys. Chem. A. , 110 : 1484
- Sun , L , Park , K Song , K . 2006 . J. Chem. Phys. , 124 : 064313
- Doubleday , C Jr , Bolton , K and Hase , WL . 1997 . J. Am. Chem. Soc. , 119 : 5251
- Hrovat , DA , Fang , S Borden , WT . 1997 . J. Am. Chem. Soc. , 119 : 5253
- Bolton , K , Hase , WL and Doubleday , C Jr . 1997 . Ber. Bunsenges. Phys. Chem. , 101 : 414
- Doubleday , C Jr , Bolton , K and Hase , WL . 1998 . J. Phys. Chem. A , 102 : 3648
- Vande Linde , SR and Hase , WL . 1989 . J. Am. Chem. Soc. , 111 : 2349
- Vande Linde , SR and Hase , WL . 1990 . J. Chem. Phys. , 93 : 7962
- Vande Linde , SR and Hase , WL . 1990 . J. Phys. Chem. , 94 : 6148
- Cho , YJ , Vande Linde , SR Zhu , L . 1992 . J. Chem. Phys. , 96 : 8275
- Hase , WL and Cho , YJ . 1993 . J. Chem. Phys. , 98 : 8626
- Hase , WL . 1994 . Science , 266 : 998
- Peslherbe , GH , Wang , H and Hase , WL . 1995 . J. Chem. Phys. , 102 : 5626
- Mann , DJ and Hase , WL . 1998 . J. Phys. Chem. A , 102 : 6208
- Li , G and Hase , WL . 1999 . J. Am. Chem. Soc. , 121 : 7124
- Sun , L , Hase , WL and Song , K . 2001 . J. Am. Chem. Soc. , 123 : 5753
- Cheon , S , Song , K and Hase , WL . 2006 . THEOCHEM: J. Molec. Struc. , 771 : 27
- Sun , L , Song , K and Hase , WL . 2002 . Science , 296 : 875
- Lopez , JG , Vayner , G Lourderaj , U . 2007 . J. Am. Chem. Soc. , 129 : 9976
- Hase , WL . 1998 . Encyclopedia of Computational Chemistry , Edited by: Allinger , NL . Vol. 1 , 399 – 402 . New York : Wiley .
- Peslherbe , GH , Wang , H and Hase , WL . 1999 . Adv. Chem. Phys. , 105 : 171
- Car , R and Parrinello , M . 1985 . Phys. Rev. Lett. , 55 : 2471
- Herbert , JM and Head-Gordon , M . 2004 . J. Chem. Phys. , 121 : 11542
- Bunker , DL . 1971 . Meth. Comput. Phys. , 10 : 287
- Pulay , P and Fogarasi , G . 2004 . Chem. Phys. Lett. , 386 : 272
- Niklasson , AMN , Tymczak , CJ and Challacombe. , M . 2006 . Phys. Rev. Lett. , 97 : 123001
- Herbert , JM and Head-Gordon , M . 2005 . Phys. Chem. Chem. Phys. , 7 : 3269
- Gray , SK , Noid , DW and Sumpter , BG . 1994 . J. Chem. Phys. , 101 : 4062
- Skeel , RD , Zhang , G and Schlick , T . 1997 . SIAM. J. Sci. Compt. , 18 : 203
- Lourderaj , U , Song , K Windus , TL . 2007 . J. Chem. Phys. , 126 : 044105
- Arnold , VI . 1978 . Mathematical Methods of Chemical Mechanics , New York : Springer-Verlag .
- Verlet , L . 1967 . Phys. Rev. , 159 : 98
- Schlick , T . 2000 . Molecular Modeling and Simulation , New York : Springer .
- Schlier , Ch and Seiter , A . 1998 . J. Phys. Chem. A , 102 : 9399
- Schlier , Ch and Seiter , A . 2000 . Comp. Phys. Commun. , 130 : 176
- Helgaker , T , Uggerud , E and Jensen , HJ . 1990 . Chem. Phys. Lett. , 173 : 145
- Millam , JM , Bakken , V Chen , W . 1999 . J. Chem. Phys. , 111 : 3800
- Bofill , JM . 1994 . J. Comput. Chem. , 15 : 1
- Bakken , V , Millam , JM and Schlegel , HB . 1999 . J. Chem. Phys , 111 : 8773
- Miller , WH , Handy , NC and Adams , JE . 1980 . J. Chem. Phys. , 72 : 99
- Chapman , S and Bunker , DL . 1975 . J. Chem. Phys. , 62 : 2890
- Yan , T and Hase , WL . 2001 . J. Phys. Chem. A , 105 : 2617
- Bolton , K , Schlegel , HB Hase , WL . 1999 . Phys. Chem. Chem. Phys. , 1 : 999
- Thompson , KC , Jordon , MJT and Collins , MA . 1998 . J. Chem. Phys , 108 : 564
- Hase , WL , Duchovic , RJ Hu , S . 1997 . Quantum Chemistry Program Exchange (QCPE) Bulletin , 16 : 671
- Aprà , E . 2005 . NWCHEM, a Computational Chemistry Package for Parallel Computers, version 4.7 , Richland, WA : Pacific Northwest Laboratory . 99352
- Kendall , RA , Aprà , E Bernholdt , DE . 2000 . Comput. Phys. Commun. , 128 : 260
- Hase , WL , ed. 1998 . “ Advances in Classical Trajectory Methods ” . In Comparisons of Classical and Quantum Dynamics , Vol. 3 , London : JAI Press .
- Yu Grebenshchikov , S , Schinke , R and Hase , WL . 2003 . Comprehensive Chemical Kinetics , Edited by: Green , NJB . Vol. 39 , Amsterdam : Elsevier .
- Swamy , KN and Hase , WL . 1983 . J. Phys. Chem. , 87 : 4715
- Lu , D-h and Hase , WL . 1988 . J. Chem. Phys. , 89 : 6723
- Doubleday , C Jr , Bolton , K Peslherbe , GH . 1996 . J. Am. Chem. Soc. , 118 : 9922
- Beyer , T and Swinehart , DR . 1973 . Commun. ACM , 16 : 379
- Zhu , L and Hase , WL . 1990 . Chem. Phys. Lett. , 175 : 117
- Aubanel , EE , Wardlaw , DM Zhu , L . 1991 . Int. Rev. Phys. Chem. , 10 : 249
- Zhu , L , Chen , W Hase , WL . 1993 . J. Phys. Chem. , 97 : 311
- Bunker , DL and Hase , WL . 1973 . J. Chem. Phys. , 59 : 4621
- Miller , WH , Hase , WL and Darling , CL . 1989 . J. Chem. Phys. , 91 : 2863
- Tully , JC and Preston , RK . 1971 . J. Chem. Phys. , 55 : 562
- Schinke , R . 1993 . Photodissociation Dynamics , Cambridge : Cambridge, Iniversity Press .
- Untch , A , Schinke , R Cotting , R . 1993 . J. Chem. Phys. , 99 : 9553
- Polik , WF , Guyer , DR Miller , WH . 1990 . J. Chem. Phys. , 92 : 3471
- Hase , WL , Cho , S-W Lu , D-h . 1989 . Chem. Phys. , 139 : 1
- Waite , BA and Miller , WH . 1980 . J. Chem. Phys. , 73 : 3713
- Dobbyn , AJ , Stumpf , M Keller , H-M . 1996 . J. Chem. Phys. , 104 : 8357
- Li , C , Ross , P Szulejko , JE . 1996 . J. Am. Chem. Soc. , 118 : 9360
- Tonner , DS and McMahon. , TB . 2000 . J. Am. Chem. Soc. , 122 : 8783
- Hase , WL and Buckowski , DG . 1982 . J. Comput. Chem. , 3 : 335
- Chen , W , Hase , WL and Schlegel , HB . 1994 . Chem. Phys. Lett. , 228 : 436
- Viggiano , AA , Morris , RA Paschkewitz , JS . 1992 . J. Am. Chem. Soc. , 114 : 10477
- Wang , H and Hase , WL . 1995 . J. Am. Chem. Soc. , 117 : 9347
- Craig , SL and Brauman , JI . 1997 . J. Phys. Chem. A , 101 : 4745
- Graul , SL and Bowers , MT . 1991 . J. Am. Chem. Soc. , 113 : 9696
- Graul , S and Bowers , MT . 1994 . J. Am. Chem. Soc. , 116 : 3875
- Wang , Y , Hase , WL and Wang , H . 2003 . J. Chem. Phys. , 118 : 2688
- Angel , LA and Ervin , KM . 2003 . J. Am. Chem. Soc. , 125 : 1014
- Chang , HW , Setser , DW and Perona , MJ . 1971 . J. Phys. Chem. , 75 : 2070
- Chang , HW , Craig , NL and Setser , DW . 1972 . J. Phys. Chem. , 76 : 954
- Arunan , E , Wategaonkar , SJ and Setser , DW . 1991 . J. Phys. Chem. , 95 : 1539
- Quick , CR Jr and Wittig , C . 1980 . J. Chem. Phys. , 72 : 1694
- Zamir , E and Levine , RD . 1980 . Chem. Phys. , 52 : 253
- Holmes , BE and Setser , DW . 1978 . J. Phys. Chem. , 82 : 2450
- Sudbo , AS , Schultz , PA Shen , YR . 1978 . J. Chem. Phys. , 69 : 2312
- Giese , CF and Gentry , WR . 1974 . Phys. Rev. A , 10 : 2156
- Reference 89, p. 124
- Kaledin , AL and Miller , WH . 2003 . J. Chem. Phys. , 118 : 7174
- Berry , MJ . 1974 . J. Chem. Phys. , 61 : 3114
- Zvijac , DJ and Light , JC . 1977 . Chem. Phys. , 21 : 411
- Schatz , GC and Ross , J . 1977 . J. Chem. Phys. , 66 : 1021
- Berson , JA , Pederson , LD and Carpenter , BK . 1976 . J. Am. Chem. Soc. , 98 : 122
- Baldwin , JE , Cianciosi , SJ Glenar , DA . 1992 . J. Am. Chem. Soc. , 114 : 9408
- Benson , SW . 1961 . J. Chem. Phys. , 34 : 521
- Smith , FT . 1958 . J. Chem. Phys. , 29 : 235
- Hoffmann , R . 1968 . J. Am. Chem. Soc. , 90 : 1475
- Doubleday , C Jr , Bolton , K Peslherbe , GH . 1996 . J. Am. Chem. Soc. , 118 : 9922
- Gonzalez-Lafont , A , Truong , TN and Truhlar , DG . 1991 . J. Phys. Chem. , 95 : 4618
- Doubleday , C , Li , G and Hase , WL . 2002 . Phys. Chem. Chem. Phys. , 4 : 304
- Hrovat , DA , Fang , S Borden , WT . 1997 . J. Am. Chem. Soc. , 119 : 5253
- Hase , WL , Mondro , SL Duchovic , RJ . 1987 . J. Am. Chem. Soc. , 109 : 2916
- Miller , WH , Handy , NC and Adams , JE . 1980 . J. Chem. Phys. , 72 : 99
- Marcus , RA . 1966 . J. Chem. Phys. , 45 : 4493
- Quack , M and Troe , J . 1974 . Ber. Bunsenges. Phys. Chem. , 78 : 240
- Polanyi , JC . 1972 . Acc. Chem. Res. , 5 : 161
- Debbert , SL , Carpenter , BK Hrovat , DA . 2002 . J. Am. Chem. Soc. , 124 : 7896
- Ammal , SC , Yamataka , H Aida , M . 2003 . Science , 299 : 1555
- Townsend , D , Lajankar , SA Lee , SK . 2004 . Science , 306 : 1158
- Lahankar , SA , Chambreau , SD Townsend , D . 2006 . J. Chem. Phys. , 125 : 044303
- Houston , PL and Kable , SH . 2006 . Proc. Natl. Acad. Sci. U. S. A. , 103 : 16079
- Horst , MAter , Schatz , GC and Harding , LB . 1996 . J. Chem. Phys. , 105 : 558
- Troya , D , González , M Wu , G . 2001 . J. Phys. Chem. A , 105 : 2285
- Pomerantz , AE , Camden , JP Chiou , AS . 2005 . J. Am. Chem. Soc. , 127 : 16368
- Marcy , TP , Díaz , RR Heard , D . 2001 . J. Phys. Chem. A , 105 : 8361
- Meroueh , SO , Wang , Y and Hase , WL . 2002 . J. Phys. Chem. A , 106 : 9983
- Yan , T , Doubleday , C and Hase , WL . 2004 . J. Phys. Chem. A , 108 : 9863
- Blanksby , SJ , Ellison , GB Bierbaum , VM . 2002 . J. Am. Chem. Soc. , 124 : 3196
- Hu , X and Hase , WL . 1992 . J. Phys. Chem. , 96 : 7535
- Fersht , A . 1985 . Enzyme Structures and Mechanism , 2nd , New York : Freeman .