SCOPUS 정보 검색 플랫폼

Volumn 104, Issue 11, 2000, Pages 2287-2293

Ab initio characterization of the HCOx (x = -1, 0, +1) species: Structures, vibrational frequencies, CH bond dissociation energies, and HCO ionization potential and electron affinity

(3) Van Mourik, Tanja a,c Dunning Jr , Thom H a Peterson, Kirk A b

a PACIFIC NORTHWEST NATIONAL LABORATORY (United States)

b WASHINGTON STATE UNIVERSITY (United States)

c UNIVERSITY COLLEGE LONDON (United Kingdom)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 0034704937 PISSN: 10895639 EISSN: None Source Type: Journal
DOI: 10.1021/jp9925583 Document Type: Article

Times cited : (36)

References (105)

1
- 0000302189
- Klemperer, W. Nature 1970, 227, 1230.
- (1970) Nature , vol.227 , pp. 1230
- Klemperer, W.¹

2
- 0000796254
- Buhl, D.; Snyder. L. E. Nature 1970, 228, 267.
- (1970) Nature , vol.228 , pp. 267
- Buhl, D.¹ Snyder, L.E.²

3
- 0000773667
- Woods, R. C; Dixon. T. A.; Saykally. R. J.; Szanto, P. G. Phys Rev. Lett. 1975, 35, 1269.
- (1975) Phys Rev. Lett. , vol.35 , pp. 1269
- Woods, R.C.¹ Dixon, T.A.² Saykally, R.J.³ Szanto, P.G.⁴

4
- 0002510304
- Gardiner. W. C, Jr., Ed.; Springer-Verlag: Berlin
- Warnatz, J. In Combustion Chemistry: Gardiner. W. C, Jr., Ed.; Springer-Verlag: Berlin. 1984; p 197.
- (1984) Combustion Chemistry , pp. 197
- Warnatz, J.¹

5
- 0003719278
- Wiley: New York
- Finlayson-Pitts, B. J.; Pitts, J. N., Jr. Atmospheric Chemistry: Fundamentals and Experimental Techniques. Wiley: New York. 1986.
- (1986) Atmospheric Chemistry: Fundamentals and Experimental Techniques
- Finlayson-Pitts, B.J.¹ Pitts J.N., Jr.²

6
- 0000286150
- MacGregor, M.; Berry. R. S. J. Phys. B. 1973, 6, 181. Jonathan, N.; Morris, A.; Okuda. M.; Smith, D. J. J.'Chem. Phys. 1971, 55, 3046. Fontijn, A. Pure Appl. Chem. 1974, 39, 287.
- (1973) J. Phys. B. , vol.6 , pp. 181
- Macgregor, M.¹ Berry, R.S.²

7
- 0004455111
- MacGregor, M.; Berry. R. S. J. Phys. B. 1973, 6, 181. Jonathan, N.; Morris, A.; Okuda. M.; Smith, D. J. J.'Chem. Phys. 1971, 55, 3046. Fontijn, A. Pure Appl. Chem. 1974, 39, 287.
- (1971) J.'Chem. Phys. , vol.55 , pp. 3046
- Jonathan, N.¹ Morris, A.² Okuda, M.³ Smith, D.J.⁴

8
- 0001578066
- MacGregor, M.; Berry. R. S. J. Phys. B. 1973, 6, 181. Jonathan, N.; Morris, A.; Okuda. M.; Smith, D. J. J.'Chem. Phys. 1971, 55, 3046. Fontijn, A. Pure Appl. Chem. 1974, 39, 287.
- (1974) Pure Appl. Chem. , vol.39 , pp. 287
- Fontijn, A.¹

9
- 0002091441
- Karpas, Z.; Klein. F. S. Int. J. Mass Spectrom. Ion Phys. 1975, 18, 65. Kleingeld, J. C.; Nibbering, N. M. M. J. Am. Chem. Soc. 1983, 105, 2474. Kleingeld, J. C.; Nibbering, N. M. M. Int. J. Mass Spectrom. Ion Phys. 1983, 49, 311.
- (1975) Int. J. Mass Spectrom. Ion Phys. , vol.18 , pp. 65
- Karpas, Z.¹ Klein, F.S.²

10
- 33845551008
- Karpas, Z.; Klein. F. S. Int. J. Mass Spectrom. Ion Phys. 1975, 18, 65. Kleingeld, J. C.; Nibbering, N. M. M. J. Am. Chem. Soc. 1983, 105, 2474. Kleingeld, J. C.; Nibbering, N. M. M. Int. J. Mass Spectrom. Ion Phys. 1983, 49, 311.
- (1983) J. Am. Chem. Soc. , vol.105 , pp. 2474
- Kleingeld, J.C.¹ Nibbering, N.M.M.²

11
- 0000041127
- Karpas, Z.; Klein. F. S. Int. J. Mass Spectrom. Ion Phys. 1975, 18, 65. Kleingeld, J. C.; Nibbering, N. M. M. J. Am. Chem. Soc. 1983, 105, 2474. Kleingeld, J. C.; Nibbering, N. M. M. Int. J. Mass Spectrom. Ion Phys. 1983, 49, 311.
- (1983) Int. J. Mass Spectrom. Ion Phys. , vol.49 , pp. 311
- Kleingeld, J.C.¹ Nibbering, N.M.M.²

12
- 36549100395
- Murray. K. K.; Miller, T. M.; Leopold. D. G.; Lineberger, W. C. J. Chem. Phys. 1986, 84, 2520.
- (1986) J. Chem. Phys. , vol.84 , pp. 2520
- Murray, K.K.¹ Miller, T.M.² Leopold, D.G.³ Lineberger, W.C.⁴

13
- 0001094762
- Gudeman, C. S.; Begemann, M. H.; Pfaff, J.; Saykally, R. J. Phys. Rev. Lett. 1983, 50, 727.
- (1983) Phys. Rev. Lett. , vol.50 , pp. 727
- Gudeman, C.S.¹ Begemann, M.H.² Pfaff, J.³ Saykally, R.J.⁴

14
- 36749112544
- Amano, T.; J. Chem. Phys. 1983, 79, 3595.
- (1983) J. Chem. Phys. , vol.79 , pp. 3595
- Amano, T.¹

15
- 36549098376
- Davies, P. B.; Rothwell, W. J. J. Chem. Phys. 1984, 81, 5239.
- (1984) J. Chem. Phys. , vol.81 , pp. 5239
- Davies, P.B.¹ Rothwell, W.J.²

16
- 36549094829
- Kawaguchi, K.; Yamada, C.; Saito S.; Hirota, E. J. Chem. Phys. 1985, 82, 1750.
- (1985) J. Chem. Phys. , vol.82 , pp. 1750
- Kawaguchi, K.¹ Yamada, C.² Saito, S.³ Hirota, E.⁴

17
- 36549094732
- Davies, P. B.; Hamilton. P. A.; Rothwell, W. J. J. Chem. Phys. 1984, 81, 1598.
- (1984) J. Chem. Phys. , vol.81 , pp. 1598
- Davies, P.B.¹ Hamilton, P.A.² Rothwell, W.J.³

18
- 36549101473
- Foster. S. C.; McKellar, A. R. W.; Sears, T. J. J. Chem. Phys. 1984. 81, 578.
- (1984) J. Chem. Phys. , vol.81 , pp. 578
- Foster, S.C.¹ McKellar, A.R.W.² Sears, T.J.³

19
- 0002475605
- Woods, R. C.; Philos. Trans. R. Soc. A 1988, 324, 141. Woods, R. C. In Ion and Cluster Ion Spectroscope and Structure: Maier, J. P., Ed.; Elsevier: Amsterdam, 1989.
- (1988) Philos. Trans. R. Soc. A , vol.324 , pp. 141
- Woods, R.C.¹

20
- 0003775524
- Maier, J. P., Ed.; Elsevier: Amsterdam
- Woods, R. C.; Philos. Trans. R. Soc. A 1988, 324, 141. Woods, R. C. In Ion and Cluster Ion Spectroscope and Structure: Maier, J. P., Ed.; Elsevier: Amsterdam, 1989.
- (1989) Ion and Cluster Ion Spectroscope and Structure
- Woods, R.C.¹

21
- 0000699216
- Ma, N. L.; Smith, B. J.; Radom, L. Chem. Phys. Lett. 1992, 197, 573.
- (1992) Chem. Phys. Lett. , vol.197 , pp. 573
- Ma, N.L.¹ Smith, B.J.² Radom, L.³

22
- 0013153041
- Wahlgren, U.; Pearson, P. K.; Schaefer. H. F., III Nature Phys. Sci. 1973, 246, 4.
- (1973) Nature Phys. Sci. , vol.246 , pp. 4
- Wahlgren, U.¹ Pearson, P.K.² Schaefer H.F. III³

23
- 0041340065
- Bruna, P. J.; Peyerimhoff, S. D.; Buenker, R. J. Chem. Phys. 1975, 10, 323.
- (1975) Chem. Phys. , vol.10 , pp. 323
- Bruna, P.J.¹ Peyerimhoff, S.D.² Buenker, R.J.³

24
- 7544226593
- Jansen, H. B.; Ros, P. Chem. Phys. Lett. 1969, 3, 140.
- (1969) Chem. Phys. Lett. , vol.3 , pp. 140
- Jansen, H.B.¹ Ros, P.²

25
- 36849109940
- Hopkins, A. C.; Holbrook, N. K.; Yates, K.; Csizmadia, I. G. J. Chem. Phys. 1968, 49, 3596.
- (1968) J. Chem. Phys. , vol.49 , pp. 3596
- Hopkins, A.C.¹ Holbrook, N.K.² Yates, K.³ Csizmadia, I.G.⁴

26
- 0040137591
- Forsen, S.; Roos, B. Chem. Phys. Lett. 1970, 6, 128.
- (1970) Chem. Phys. Lett. , vol.6 , pp. 128
- Forsen, S.¹ Roos, B.²

27
- 0041340065
- Bruna, P. J.; Peyerimhoff, S. D.; Buenker, R. J. Chem. Phys. 1975, 10, 323.
- (1975) Chem. Phys. , vol.10 , pp. 323
- Bruna, P.J.¹ Peyerimhoff, S.D.² Buenker, R.J.³

28
- 0021763362
- DeFrees, D. J.; Binkley, J. S.; McLean, A. D. J. Chem. Phys. 1984, 80, 3720.
- (1984) J. Chem. Phys. , vol.80 , pp. 3720
- Defrees, D.J.¹ Binkley, J.S.² McLean, A.D.³

29
- 0003775524
- Maier, J. P., Ed.; Elsevier: Amsterdam
- Botschwina, P. In Ion and Cluster Ion Spectroscopy and Structure: Maier, J. P., Ed.; Elsevier: Amsterdam, 1989. See also: Sebald, P.; Dissertation, Kaiserslautern, Germany, 1990. Botschwina, P.; Horn, M.; Seeger, S.; Flügge, J. Chem. Phys. Lett. 1992, 195, 427. Botschwina, P.; Seeger, S. J. Mol Struct. 1994, 320, 243.
- (1989) Ion and Cluster Ion Spectroscopy and Structure
- Botschwina, P.¹

30
- 0041840683
- Dissertation, Kaiserslautern, Germany
- Botschwina, P. In Ion and Cluster Ion Spectroscopy and Structure: Maier, J. P., Ed.; Elsevier: Amsterdam, 1989. See also: Sebald, P.; Dissertation, Kaiserslautern, Germany, 1990. Botschwina, P.; Horn, M.; Seeger, S.; Flügge, J. Chem. Phys. Lett. 1992, 195, 427. Botschwina, P.; Seeger, S. J. Mol Struct. 1994, 320, 243.
- (1990)
- Sebald, P.¹

31
- 0001382970
- Botschwina, P. In Ion and Cluster Ion Spectroscopy and Structure: Maier, J. P., Ed.; Elsevier: Amsterdam, 1989. See also: Sebald, P.; Dissertation, Kaiserslautern, Germany, 1990. Botschwina, P.; Horn, M.; Seeger, S.; Flügge, J. Chem. Phys. Lett. 1992, 195, 427. Botschwina, P.; Seeger, S. J. Mol Struct. 1994, 320, 243.
- (1992) J. Chem. Phys. Lett. , vol.195 , pp. 427
- Botschwina, P.¹ Horn, M.² Seeger, S.³ Flügge, J.⁴

32
- 0001487205
- Botschwina, P. In Ion and Cluster Ion Spectroscopy and Structure: Maier, J. P., Ed.; Elsevier: Amsterdam, 1989. See also: Sebald, P.; Dissertation, Kaiserslautern, Germany, 1990. Botschwina, P.; Horn, M.; Seeger, S.; Flügge, J. Chem. Phys. Lett. 1992, 195, 427. Botschwina, P.; Seeger, S. J. Mol Struct. 1994, 320, 243.
- (1994) Mol Struct. , vol.320 , pp. 243
- Botschwina, P.¹ Seeger, S.J.²

33
- 36449005120
- Martin, J. M. L.; Taylor, P. R.; Lee, T. J. J. Chem. Phys. 1993, 99, 286. Erratum: Martin, J. M. L.; Taylor, P. R. J. Chem. Phys. 1993, 99, 9326.
- (1993) J. Chem. Phys. , vol.99 , pp. 286
- Martin, J.M.L.¹ Taylor, P.R.² Lee, T.J.³

34
- 36449005120
- Erratum
- Martin, J. M. L.; Taylor, P. R.; Lee, T. J. J. Chem. Phys. 1993, 99, 286. Erratum: Martin, J. M. L.; Taylor, P. R. J. Chem. Phys. 1993, 99, 9326.
- (1993) J. Chem. Phys. , vol.99 , pp. 9326
- Martin, J.M.L.¹ Taylor, P.R.²

35
- 36449001016
- Yamaguchi, Y.; Richards, C. A.; Jr., Schaefer, H. F., III. J. Chem. Phys. 1994, 101, 8945.
- (1994) J. Chem. Phys. , vol.101 , pp. 8945
- Yamaguchi, Y.¹ Richards C.A., Jr.² Schaefer H.F. III³

36
- 0000448589
- Puzzarini, C.; Tarroni, R.; Palmieri, P.; Carter, S.; Dore, L. Mol. Phys. 1996, 87, 879.
- (1996) Mol. Phys. , vol.87 , pp. 879
- Puzzarini, C.¹ Tarroni, R.² Palmieri, P.³ Carter, S.⁴ Dore, L.⁵

37
- 0001480746
- Mladenovic, M.; Schmatz, S. J. Chem. Phys. 1998, 709, 4456.
- (1998) Chem. Phys. , vol.709 , pp. 4456
- Mladenovic, M.¹ Schmatz, S.J.²

38
- 33746614482
- Dunning, T. H., Jr. J. Chem. Phys. 1989, 90, 1007.
- (1989) J. Chem. Phys. , vol.90 , pp. 1007
- Dunning T.H., Jr.¹

39
- 0346650674
- Austin, J. A.; Levy, D. H.; Gottlieb, C. A.; Radford, H. E. J. Chem. Phys. 1974, 60, 207.
- (1974) J. Chem. Phys. , vol.60 , pp. 207
- Austin, J.A.¹ Levy, D.H.² Gottlieb, C.A.³ Radford, H.E.⁴

40
- 0037654157
- Ewing, G. E.; Thompson, W.; Pimentel, G. C. J. Chem. Phys. 1960, 32, 927.
- (1960) J. Chem. Phys. , vol.32 , pp. 927
- Ewing, G.E.¹ Thompson, W.² Pimentel, G.C.³

41
- 0000330113
- Milligan, D. E.; Jacox, M. E. J. Chem. Phys. 1964, 41, 3032.
- (1964) J. Chem. Phys. , vol.41 , pp. 3032
- Milligan, D.E.¹ Jacox, M.E.²

42
- 8344229157
- Ogilvie, J. F. J. Mol. Struct. 1976, 31, 407.
- (1976) J. Mol. Struct. , vol.31 , pp. 407
- Ogilvie, J.F.¹

43
- 11344292902
- Sappey, A. D.; Crosley, D. R. J. Chem. Phys. 1990, 93, 7601.
- (1990) J. Chem. Phys. , vol.93 , pp. 7601
- Sappey, A.D.¹ Crosley, D.R.²

44
- 0001075102
- Lee, S. H.; Chen, I. C. J. Chem. Phys. 1995, 103, 104.
- (1995) J. Chem. Phys. , vol.103 , pp. 104
- Lee, S.H.¹ Chen, I.C.²

45
- 0345655400
- Adamson, G. W.; Zhao, X.; Field, R. W. J. Mol. Spectrosc. 1993, 760, 11.
- (1993) J. Mol. Spectrosc. , vol.760 , pp. 11
- Adamson, G.W.¹ Zhao, X.² Field, R.W.³

46
- 0001633046
- Shiu, Y. J.; Chen, I. C. J. Mol. Spectrosc. 1994, 165, 457.
- (1994) J. Mol. Spectrosc. , vol.165 , pp. 457
- Shiu, Y.J.¹ Chen, I.C.²

47
- 36449001756
- Tobiason, J. D.; Dunlop, J. R.; Rohlfing, E. A. J. Chem. Phys. 1995, 103, 1448.
- (1995) J. Chem. Phys. , vol.103 , pp. 1448
- Tobiason, J.D.¹ Dunlop, J.R.² Rohlfing, E.A.³

48
- 0001543395
- Cool, T. A.; Song. X. M. J. Chem. Phys. 1992, 96, 8675.
- (1992) J. Chem. Phys. , vol.96 , pp. 8675
- Cool, T.A.¹ Song, X.M.²

49
- 84946651522
- Dyke, J. M.; Jonathan, N. B. H.; Morris. A.; Winter, M. J. Mol. Phys. 1980, 39, 629.
- (1980) Mol. Phys. , vol.39 , pp. 629
- Dyke, J.M.¹ Jonathan, N.B.H.² Morris, A.³ Winter, M.J.⁴

50
- 0001050201
- Traeger, J. C. Int. J. Mass Spectrom. Ion Processes 1985, 66, 271.
- (1985) Int. J. Mass Spectrom. Ion Processes , vol.66 , pp. 271
- Traeger, J.C.¹

51
- 0002658931
- Dyke, J. M. J. Chem. Soc., Faraday Trans. 1987, 83, 69.
- (1987) J. Chem. Soc., Faraday Trans. , vol.83 , pp. 69
- Dyke, J.M.¹

52
- 0000641884
- Mayer, E.; Grant, E. R. J. Chem. Phys. 1995, 103, 10513.
- (1995) J. Chem. Phys. , vol.103 , pp. 10513
- Mayer, E.¹ Grant, E.R.²

53
- 0041340064
- Claxton, T. A.; Trans. Faraday Soc. 1971, 67, 29. Botschwina, P.; Chem. Phys. Lett. 1974, 29, 98. Baird, N. C.; Kathpal, H. B. Can. J. Chem. 1977, 55, 863.
- (1971) Trans. Faraday Soc. , vol.67 , pp. 29
- Claxton, T.A.¹

54
- 0001775763
- Claxton, T. A.; Trans. Faraday Soc. 1971, 67, 29. Botschwina, P.; Chem. Phys. Lett. 1974, 29, 98. Baird, N. C.; Kathpal, H. B. Can. J. Chem. 1977, 55, 863.
- (1974) Chem. Phys. Lett. , vol.29 , pp. 98
- Botschwina, P.¹

55
- 0000090003
- Claxton, T. A.; Trans. Faraday Soc. 1971, 67, 29. Botschwina, P.; Chem. Phys. Lett. 1974, 29, 98. Baird, N. C.; Kathpal, H. B. Can. J. Chem. 1977, 55, 863.
- (1977) Can. J. Chem. , vol.55 , pp. 863
- Baird, N.C.¹ Kathpal, H.B.²

56
- 0001009350
- Bruna, P. J.; Buenker, R. J.; Peyerinhoff, S. D. J. Mol. Struct. 1976, 32, 217.
- (1976) J. Mol. Struct. , vol.32 , pp. 217
- Bruna, P.J.¹ Buenker, R.J.² Peyerinhoff, S.D.³

57
- 0001143149
- Tanaka, K.; Davidson, E. R. J. Chem. Phys. 1979, 70, 2904.
- (1979) J. Chem. Phys. , vol.70 , pp. 2904
- Tanaka, K.¹ Davidson, E.R.²

58
- 36749117887
- Adams, G. F.; Bent, G. D.; Purvis. G. D.; Bartlett, R. J. J. Chem. Phys. 1979, 71, 3697. Adams, G. F.; Bent, G. D.; Bartlett, R. J.; Purvis, G. D. In Potential Energy Surfaces and Dynamics Calculations; Truhlar, D. G., Ed.; Plenum: New York, 1981; Chapter 5.
- (1979) J. Chem. Phys. , vol.71 , pp. 3697
- Adams, G.F.¹ Bent, G.D.² Purvis, G.D.³ Bartlett, R.J.⁴

59
- 36749117887
- Truhlar, D. G., Ed.; Plenum: New York, Chapter 5
- Adams, G. F.; Bent, G. D.; Purvis. G. D.; Bartlett, R. J. J. Chem. Phys. 1979, 71, 3697. Adams, G. F.; Bent, G. D.; Bartlett, R. J.; Purvis, G. D. In Potential Energy Surfaces and Dynamics Calculations; Truhlar, D. G., Ed.; Plenum: New York, 1981; Chapter 5.
- (1981) Potential Energy Surfaces and Dynamics Calculations
- Adams, G.F.¹ Bent, G.D.² Bartlett, R.J.³ Purvis, G.D.⁴

60
- 0010027663
- Dunning, T. H., Jr. J. Chem. Phys. 1980, 73, 2304.
- (1980) J. Chem. Phys. , vol.73 , pp. 2304
- Dunning T.H., Jr.¹

61
- 33947325439
- Bowman, J. M.; Bittman, J. S.; Harding, L. B. J. Chem. Phys. 1986, 85, 911.
- (1986) J. Chem. Phys. , vol.85 , pp. 911
- Bowman, J.M.¹ Bittman, J.S.² Harding, L.B.³

62
- 36549102201
- Francisco. J. S.; Goldstein, A. N.; Williams, I. H. J. Chem. Phys. 1993, 89, 3044.
- (1993) J. Chem. Phys. , vol.89 , pp. 3044
- Francisco, J.S.¹ Goldstein, A.N.² Williams, I.H.³

63
- 0001096559
- Lorenzen-Schmidt, H.; Peric, M.; Peyerimhoff, S. D. J. Chem. Phys. 1993, 98, 525.
- (1993) J. Chem. Phys. , vol.98 , pp. 525
- Lorenzen-Schmidt, H.¹ Peric, M.² Peyerimhoff, S.D.³

64
- 84987142048
- Bittererova, M.; Lischka, H.; Biskupic. S. Int. J. Quantum Chem. 1995, 55, 261.
- (1995) Int. J. Quantum Chem. , vol.55 , pp. 261
- Bittererova, M.¹ Lischka, H.² Biskupic, S.³

65
- 36449005457
- Werner, H.-J.; Bauer, C.; Rosmus, P.; Keller, H. M.; Stumpf, M.; Schinke, R. J. Chem. Phys. 1995, 102, 3593.
- (1995) J. Chem. Phys. , vol.102 , pp. 3593
- Werner, H.-J.¹ Bauer, C.² Rosmus, P.³ Keller, H.M.⁴ Stumpf, M.⁵ Schinke, R.⁶

66
- 0030575955
- Woon, D. E.; J. Chem. Phys. 1996, 705, 9921.
- (1996) J. Chem. Phys. , vol.705 , pp. 9921
- Woon, D.E.¹

67
- 0030247903
- Keller, H.-M: Floethmann, H.; Dobbyn, A. J.; H.-Werner. J.; Bauer, C.; Rosmus, P. J. Chem. Phys. 1996, 105, 4983.
- (1996) J. Chem. Phys. , vol.105 , pp. 4983
- Keller, H.-M.¹ Floethmann, H.² Dobbyn, A.J.³ H-Werner, J.⁴ Bauer, C.⁵ Rosmus, P.⁶

68
- 11744320192
- Yamaguchi. Y.; Wesolowski, S. S.: Van Huis, T. J. J. Chem. Phys. 1998, 108, 5281.
- (1998) J. Chem. Phys. , vol.108 , pp. 5281
- Yamaguchi, Y.¹ Wesolowski, S.S.² Van Huis, T.J.³

69
- 0000537693
- Serrano-Andres, L.; Forsberg, N.; Malmqvist, P. -Å. J. Chem. Phys. 1998, 108, 7202.
- (1998) J. Chem. Phys. , vol.108 , pp. 7202
- Serrano-Andres, L.¹ Forsberg, N.² Malmqvist, P.-A.³

70
- 0001091953
- Dixon, D. A.; Feller, D. J. Phys. Chem. A 1998, 102, 8209.
- (1998) J. Phys. Chem. A , vol.102 , pp. 8209
- Dixon, D.A.¹ Feller, D.²

71
- 0041689437
- Berkowitz, J.; Ellison, G. B.; Gutman, D. J. Phys. Chem. 1994, 98, 2744.
- (1994) J. Phys. Chem. , vol.98 , pp. 2744
- Berkowitz, J.¹ Ellison, G.B.² Gutman, D.³

72
- 0041840679
- private communication
- Berkowitz, J., private communication.
- Berkowitz, J.¹

73
- 4143095330
- Kendall, R. A.; Dunning, T. H., Jr.; Harrison, R. J. J. Chem. Phys. 1992, 96, 6796. Woon, D. E.; Dunning. T. H., Jr. J. Chem. Phys. 1993, 98, 1358. Woon, D. E.; Dunning, T. H. Jr. J. Chem. Phys. 1994, 100, 2975. Woon, D. E.; Dunning, T. H., Jr. J. Chem. Phys. 1995, 103, 4572. Wilson, A. K.; van Mourik, T.; Dunning. T. H., Jr. J. Mol. Struct. (THEOCHEM) 1996, 388, 339.
- (1992) J. Chem. Phys. , vol.96 , pp. 6796
- Kendall, R.A.¹ Dunning T.H., Jr.² Harrison, R.J.³

74
- 3843146349
- Kendall, R. A.; Dunning, T. H., Jr.; Harrison, R. J. J. Chem. Phys. 1992, 96, 6796. Woon, D. E.; Dunning. T. H., Jr. J. Chem. Phys. 1993, 98, 1358. Woon, D. E.; Dunning, T. H. Jr. J. Chem. Phys. 1994, 100, 2975. Woon, D. E.; Dunning, T. H., Jr. J. Chem. Phys. 1995, 103, 4572. Wilson, A. K.; van Mourik, T.; Dunning. T. H., Jr. J. Mol. Struct. (THEOCHEM) 1996, 388, 339.
- (1993) J. Chem. Phys. , vol.98 , pp. 1358
- Woon, D.E.¹ Dunning T.H., Jr.²

75
- 26444474547
- Kendall, R. A.; Dunning, T. H., Jr.; Harrison, R. J. J. Chem. Phys. 1992, 96, 6796. Woon, D. E.; Dunning. T. H., Jr. J. Chem. Phys. 1993, 98, 1358. Woon, D. E.; Dunning, T. H. Jr. J. Chem. Phys. 1994, 100, 2975. Woon, D. E.; Dunning, T. H., Jr. J. Chem. Phys. 1995, 103, 4572. Wilson, A. K.; van Mourik, T.; Dunning. T. H., Jr. J. Mol. Struct. (THEOCHEM) 1996, 388, 339.
- (1994) J. Chem. Phys. , vol.100 , pp. 2975
- Woon, D.E.¹ Dunning T.H., Jr.²

76
- 36449006587
- Kendall, R. A.; Dunning, T. H., Jr.; Harrison, R. J. J. Chem. Phys. 1992, 96, 6796. Woon, D. E.; Dunning. T. H., Jr. J. Chem. Phys. 1993, 98, 1358. Woon, D. E.; Dunning, T. H. Jr. J. Chem. Phys. 1994, 100, 2975. Woon, D. E.; Dunning, T. H., Jr. J. Chem. Phys. 1995, 103, 4572. Wilson, A. K.; van Mourik, T.; Dunning. T. H., Jr. J. Mol. Struct. (THEOCHEM) 1996, 388, 339.
- (1995) J. Chem. Phys. , vol.103 , pp. 4572
- Woon, D.E.¹ Dunning T.H., Jr.²

77
- 0041536947
- Kendall, R. A.; Dunning, T. H., Jr.; Harrison, R. J. J. Chem. Phys. 1992, 96, 6796. Woon, D. E.; Dunning. T. H., Jr. J. Chem. Phys. 1993, 98, 1358. Woon, D. E.; Dunning, T. H. Jr. J. Chem. Phys. 1994, 100, 2975. Woon, D. E.; Dunning, T. H., Jr. J. Chem. Phys. 1995, 103, 4572. Wilson, A. K.; van Mourik, T.; Dunning. T. H., Jr. J. Mol. Struct. (THEOCHEM) 1996, 388, 339.
- (1996) J. Mol. Struct. (THEOCHEM) , vol.388 , pp. 339
- Wilson, A.K.¹ Van Mourik, T.² Dunning T.H., Jr.³

78
- 0011767161
- Woon, D. E.; Dunning, T. H. Jr. J. Chem. Phys. 1993, 99, 3730.
- (1993) J. Chem. Phys. , vol.99 , pp. 3730
- Woon, D.E.¹ Dunning T.H., Jr.²

79
- 36449009589
- Feller, D.; J. Chem. Phys. 1993, 98, 7059.
- (1993) J. Chem. Phys. , vol.98 , pp. 7059
- Feller, D.¹

80
- 0000391201
- Peterson, K. A.; Xantheas, S. S.; Dixon, D. A.; Dunning, T. H., Jr. J. Phys. Chem. 1998, 102, 2449.
- (1998) J. Phys. Chem. , vol.102 , pp. 2449
- Peterson, K.A.¹ Xantheas, S.S.² Dixon, D.A.³ Dunning T.H., Jr.⁴

81
- 0000533004
- See, e.g., Bartlett, R. J. J. Phys. Chem. 1989, 93, 1697.
- (1989) J. Phys. Chem. , vol.93 , pp. 1697
- Bartlett, R.J.¹

82
- 0006244148
- Raghavachari, K.; Trucks, G. W.; Pople, J. A.; Head-Gordon, M. Chem. Phys. Lett. 1989, 157, 479.
- (1989) Chem. Phys. Lett. , vol.157 , pp. 479
- Raghavachari, K.¹ Trucks, G.W.² Pople, J.A.³ Head-Gordon, M.⁴

83
- 36449001370
- Knowles, P. J.; Hampel, C.; Werner, H.-J. J. Chem. Phys. 1994, 99, 5219.
- (1994) J. Chem. Phys. , vol.99 , pp. 5219
- Knowles, P.J.¹ Hampel, C.² Werner, H.-J.³

84
- 36449001370
- Knowles, P. J.; Hampel, C.; Werner, H-J.; J. Chem. Phys. 1994, 99, 5219. Scuseria, G. E. Chem. Phys. Lett. 1991, 176, 27. Rittby, M.; Bartlett, R. J. J. Chem. Phys. 1988, 92, 3033.
- (1994) J. Chem. Phys. , vol.99 , pp. 5219
- Knowles, P.J.¹ Hampel, C.² Werner, H.-J.³

85
- 0001957443
- Knowles, P. J.; Hampel, C.; Werner, H-J.; J. Chem. Phys. 1994, 99, 5219. Scuseria, G. E. Chem. Phys. Lett. 1991, 176, 27. Rittby, M.; Bartlett, R. J. J. Chem. Phys. 1988, 92, 3033.
- (1991) Chem. Phys. Lett. , vol.176 , pp. 27
- Scuseria, G.E.¹

86
- 33845280230
- Knowles, P. J.; Hampel, C.; Werner, H-J.; J. Chem. Phys. 1994, 99, 5219. Scuseria, G. E. Chem. Phys. Lett. 1991, 176, 27. Rittby, M.; Bartlett, R. J. J. Chem. Phys. 1988, 92, 3033.
- (1988) J. Chem. Phys. , vol.92 , pp. 3033
- Rittby, M.¹ Bartlett, R.J.²

87
- 0042842759
- to be published
- Peterson, K. A.; Dunning, T. H., Jr., to be published.
- Peterson, K.A.¹ Dunning T.H., Jr.²

88
- 0000802626
- Martin. J. R. L.; Taylor, P. R. Chem. Phys. Lett. 1994, 225, 473. Martin, J. M. L.; Lee, T. J. Chem. Phys. Lett. 1996, 258, 136.
- (1994) Chem. Phys. Lett. , vol.225 , pp. 473
- Martin, J.R.L.¹ Taylor, P.R.²

89
- 0030576374
- Martin. J. R. L.; Taylor, P. R. Chem. Phys. Lett. 1994, 225, 473. Martin, J. M. L.; Lee, T. J. Chem. Phys. Lett. 1996, 258, 136.
- (1996) Chem. Phys. Lett. , vol.258 , pp. 136
- Martin, J.M.L.¹ Lee, T.J.²

90
- 0001492276
- Wilson, A. K.; Dunning, T. H., Jr. J. Chem. Phys. 1997, 106, 8718.
- (1997) J. Chem. Phys. , vol.106 , pp. 8718
- Wilson, A.K.¹ Dunning T.H., Jr.²

91
- 77954219446
- MOLPRO94 is a suite of ab initio programs written by Werner, H.-J.; Knowles, P. J. with contributions by Almlöf, J.; Amos, R. D.; Deegan, M.; Elbert, S. T.; Hampel, C.; Meyer, W.; Peterson, K. A.; Pitzer, R. M.; Reinsch. E.-A.: Stone, A. J.; Taylor, P. R.
- MOLPRO94 is a Suite of ab Initio Programs
- Werner, H.-J.¹ Knowles, P.J.² Almlöf, J.³ Amos, R.D.⁴ Deegan, M.⁵ Elbert, S.T.⁶ Hampel, C.⁷ Meyer, W.⁸ Peterson, K.A.⁹ Pitzer, R.M.¹⁰ Reinsch, E.-A.¹¹ Stone, A.J.¹² Taylor, P.R.¹³

92
- 0041840678
- Ph.D. Thesis, Universität Frankfurt, Frankfurt, Germany
- Senekowitsch, J., Ph.D. Thesis, Universität Frankfurt, Frankfurt, Germany, 1988.
- Senekowitsch, J.¹

93
- 4243308896
- Dunham, J. L. Phys. Rev. 1932, 41, 713; implemented in program VIBROT by Dunning, T. H.; Jr., modified by Eades, R. A.: Feller, D. F.
- (1932) Phys. Rev. , vol.41 , pp. 713
- Dunham, J.L.¹

94
- 4243308896
- Dunham, J. L. Phys. Rev. 1932, 41, 713; implemented in program VIBROT by Dunning, T. H.; Jr., modified by Eades, R. A.: Feller, D. F.
- VIBROT
- Dunning T.H., Jr.¹ Eades, R.A.² Feller, D.F.³

95
- 0003588966
- Van Nostrand: Princeton
- Huber, K. P.; Herzberg, G. Molecular Spectra and Molecular Structure. IV. Constants of Diatomic Molecules; Van Nostrand: Princeton, 1979.
- (1979) Molecular Spectra and Molecular Structure. IV. Constants of Diatomic Molecules
- Huber, K.P.¹ Herzberg, G.²

96
- 36749112544
- Amano, T. J. Chem. Phys. 1983, 79, 3595. Kawaguchi, K.; Yamada, C.; Saito, S.; Hirota, E. J. Chem. Phys. 1985, 82, 1750. Foster, S. C.; McKellar, A. R. W.; Sears, T. J. J. Chem. Phys. 1984, 81, 578.
- (1983) Chem. Phys. , vol.79 , pp. 3595
- Amano, T.J.¹

97
- 36549094829
- Amano, T. J. Chem. Phys. 1983, 79, 3595. Kawaguchi, K.; Yamada, C.; Saito, S.; Hirota, E. J. Chem. Phys. 1985, 82, 1750. Foster, S. C.; McKellar, A. R. W.; Sears, T. J. J. Chem. Phys. 1984, 81, 578.
- (1985) J. Chem. Phys. , vol.82 , pp. 1750
- Kawaguchi, K.¹ Yamada, C.² Saito, S.³ Hirota, E.⁴

98
- 36549101473
- Amano, T. J. Chem. Phys. 1983, 79, 3595. Kawaguchi, K.; Yamada, C.; Saito, S.; Hirota, E. J. Chem. Phys. 1985, 82, 1750. Foster, S. C.; McKellar, A. R. W.; Sears, T. J. J. Chem. Phys. 1984, 81, 578.
- (1984) J. Chem. Phys. , vol.81 , pp. 578
- Foster, S.C.¹ McKellar, A.R.W.² Sears, T.J.³

99
- 36549096310
- Adams, N. G.; Smith, D.; Tichy, M.; Javhery, G.; Twiddy, N. D.; Ferguson, E. E. J. Chem. Phys. 1989, 91, 4037.
- (1989) J. Chem. Phys. , vol.91 , pp. 4037
- Adams, N.G.¹ Smith, D.² Tichy, M.³ Javhery, G.⁴ Twiddy, N.D.⁵ Ferguson, E.E.⁶

100
- 0000805085
- Komornicki, A.; Dixon, D. A. J. Chem. Phys. 1992, 97, 1087.
- (1992) J. Chem. Phys. , vol.97 , pp. 1087
- Komornicki, A.¹ Dixon, D.A.²

101
- 33746808448
- Botschwina, P.; Horn, M.; Flügge, J.; Seeger, S. J. Chem. Soc., Faraday Trans. 1993, 89, 2219.
- (1993) J. Chem. Soc., Faraday Trans. , vol.89 , pp. 2219
- Botschwina, P.¹ Horn, M.² Flügge, J.³ Seeger, S.⁴

102
- 0346650674
- Austin, J. A.; Levy. D. H.; Gottlieb. C. A.; Radford, H. E. J. Chem. Phys. 1974, 60, 207.
- (1974) J. Chem. Phys. , vol.60 , pp. 207
- Austin, J.A.¹ Levy, D.H.² Gottlieb, C.A.³ Radford, H.E.⁴

103
- 8344229157
- Ogilvie, J. F. J. Mol. Struct. 1976, 31, 407.
- (1976) J. Mol. Struct. , vol.31 , pp. 407
- Ogilvie, J.F.¹

104
- 11344292902
- Sappey, A. D.; Crosley, D. R. J. Chem. Phys. 1990, 93, 7601.
- (1990) J. Chem. Phys. , vol.93 , pp. 7601
- Sappey, A.D.¹ Crosley, D.R.²

105
- 0042842755
- Chuang, M.-C: Foltz, M. F.; Moore. C. B. J. Chem. Phys. 1987, 87.
- (1987) J. Chem. Phys. , pp. 87
- Chuang, M.-C.¹ Foltz, M.F.² Moore, C.B.³

* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.