SCOPUS 정보 검색 플랫폼

Physical Chemistry Chemical Physics

Volumn 10, Issue 10, 2008, Pages 1394-1399

Species with negative electron affinity and standard DFT methods. Finding the valence anions

(3) Puiatti, Marcelo a Vera, D Mariano A a Pierini, Adriana B a

a UNIVERSIDAD NACIONAL DE CÓRDOBA (Argentina)

Author keywords

[No Author keywords available]

Indexed keywords

ANION;

ARTICLE; CHEMICAL MODEL; CHEMICAL STRUCTURE; CHEMISTRY; COMPUTER SIMULATION; ELECTRON; QUANTUM THEORY;

ANIONS; COMPUTER SIMULATION; ELECTRONS; MODELS, CHEMICAL; MODELS, MOLECULAR; QUANTUM THEORY;

EID: 40149084044 PISSN: 14639076 EISSN: None Source Type: Journal
DOI: 10.1039/b716625g Document Type: Article

Times cited : (26)

References (85)

1
- 3042784374
- D. M. A. Vera A. B. Pierini Phys. Chem. Chem. Phys. 2004 6 2899
- (2004) Phys. Chem. Chem. Phys. , vol.6 , pp. 2899
- Vera, D.M.A.¹ Pierini, A.B.²

2
- 0037239899
- R. A. Rossi A. B. Peñéñory A. B. Pierini Chem. Rev. 2003 103 71
- (2003) Chem. Rev. , vol.103 , pp. 71
- Rossi, R.A.¹ Peñéñory, A.B.² Pierini, A.B.³

3
- 0003569570
- Oxford University Press, Oxford
- R. G. Parr and W. Yang, Density Functional Theory of Atoms and Molecules, Oxford University Press, Oxford, 1989
- (1989) Density Functional Theory of Atoms and Molecules
- Parr, R.G.¹ Yang, W.²

4
- 0040942563
- R. G. Parr L. V. Szentpály S. Liu J. Am. Chem. Soc. 1999 121 1922 1924
- (1999) J. Am. Chem. Soc. , vol.121 , pp. 1922-1924
- Parr, R.G.¹ Szentpály, L.V.² Liu, S.³

5
- 0035134648
- J. C. Rienstra-Kiracofe C. J. Barden S. T. Brown H. F. Schaefer, III J. Phys. Chem. A 2001 105 524
- (2001) J. Phys. Chem. a , vol.105 , pp. 524
- Rienstra-Kiracofe, J.C.¹ Barden, C.J.² Brown, S.T.³ Schaefer III, H.F.⁴

6
- 0037159941
- F. Jensen J. Chem. Phys. 2002 117 9234
- (2002) J. Chem. Phys. , vol.117 , pp. 9234
- Jensen, F.¹

7
- 0036025403
- J. C. Rienstra-Kiracofe G. S. Tschumper H. F. Schaefer, III S. Nandi G. B. Ellison Chem. Rev. 2002 102 231
- (2002) Chem. Rev. , vol.102 , pp. 231
- Rienstra-Kiracofe, J.C.¹ Tschumper, G.S.² Schaefer III, H.F.³ Nandi, S.⁴ Ellison, G.B.⁵

8
- 0041366939
- K. D. Jordan P. D. Burrow Chem. Rev. 1987 87 557
- (1987) Chem. Rev. , vol.87 , pp. 557
- Jordan, K.D.¹ Burrow, P.D.²

9
- 0141689649
- Earlier advice about the anion states at higher energies than the neutrals and standard Hartree-Fock theory can be found:
- J. Simons K. D. Jordan Chem. Rev. 1987 87 535
- (1987) Chem. Rev. , vol.87 , pp. 535
- Simons, J.¹ Jordan, K.D.²

10
- 0343418087
- for stabilization techniques based on sphere scaling and orbital exponent scaling and examples of application, see
- R. Ahlrichs Chem. Phys. Lett. 1975 34 570
- (1975) Chem. Phys. Lett. , vol.34 , pp. 570
- Ahlrichs, R.¹

11
- 0345027900
- T. N. Rescigno A. E. Orel J. Phys. Chem. 1980 73 6347
- (1980) J. Phys. Chem. , vol.73 , pp. 6347
- Rescigno, T.N.¹ Orel, A.E.²

12
- 33744673806
- J. Simons J. Chem. Phys. 1981 75 2465
- (1981) J. Chem. Phys. , vol.75 , pp. 2465
- Simons, J.¹

13
- 0000017108
- M. F. Falcetta K. D. Jordan J. Phys. Chem. 1990 94 5666
- (1990) J. Phys. Chem. , vol.94 , pp. 5666
- Falcetta, M.F.¹ Jordan, K.D.²

14
- 0007031087
- J. S.-Y. Chao Chem. Phys. Lett. 1991 179 169
- (1991) Chem. Phys. Lett. , vol.179 , pp. 169
- Chao, J.S.-Y.¹

15
- 0027719622
- U. V. Riss H.-D. Meyer J. Phys. B 1993 26 4503
- (1993) J. Phys. B , vol.26 , pp. 4503
- Riss, U.V.¹ Meyer, H.-D.²

16
- 0007030814
- J. S.-Y. Chao J. Phys. Chem. 1993 97 4016
- (1993) J. Phys. Chem. , vol.97 , pp. 4016
- Chao, J.S.-Y.¹

17
- 0008890056
- for complex absorbing potential methods, see
- C.-S. Chen T.-H. Feng J. S.-Y. Chao J. Phys. Chem. 1995 99 8629
- (1995) J. Phys. Chem. , vol.99 , pp. 8629
- Chen, C.-S.¹ Feng, T.-H.² Chao, J.S.-Y.³

18
- 0001117394
- T. Sommerfeld U. V. Riss H.-D. Meyer L. S. Cederbaum B. Engels H. U. Suter J. Phys. B 1998 31 4107
- (1998) J. Phys. B , vol.31 , pp. 4107
- Sommerfeld, T.¹ Riss, U.V.² Meyer, H.-D.³ Cederbaum, L.S.⁴ Engels, B.⁵ Suter, H.U.⁶

19
- 0001078108
- See also ref. 9. Recent improvements over stabilization in
- J. M. M. Roco A. C. Hernandez S. Velasco A. Medina J. Chem. Phys. 1999 110 5218
- (1999) J. Chem. Phys. , vol.110 , pp. 5218
- Roco, J.M.M.¹ Hernandez, A.C.² Velasco Medina, A.S.³

20
- 0034293938
- and literature cited herein
- M. F. Falcetta Y. Choi K. D. Jordan J. Phys. Chem. A 2000 104 9605
- (2000) J. Phys. Chem. a , vol.104 , pp. 9605
- Falcetta, M.F.¹ Choi, Y.² Jordan, K.D.³

21
- 0035915264
- T. Sommerfeld ChemPhysChem 2001 11 677
- (2001) ChemPhysChem , vol.11 , pp. 677
- Sommerfeld, T.¹

22
- 0037434269
- D. Laage I. Burghart T. Sommerfeld J. T. Hynes ChemPhysChem 2003 4 61
- (2003) ChemPhysChem , vol.4 , pp. 61
- Laage, D.¹ Burghart, I.² Sommerfeld, T.³ Hynes, J.T.⁴

23
- 84961979240
- A. B. Pierini D. M. A. Vera J. Org. Chem. 2003 68 9191
- (2003) J. Org. Chem. , vol.68 , pp. 9191
- Pierini, A.B.¹ Vera, D.M.A.²

24
- 84962377196
- S. D. Wetmore R. J. Boyd L. A. Eriksson Chem. Phys. Lett. 2001 343 151
- (2001) Chem. Phys. Lett. , vol.343 , pp. 151
- Wetmore, S.D.¹ Boyd, R.J.² Eriksson, L.A.³

25
- 1842607362
- N. A. Richardson J. Gu S. Wang Y. Xie H. F. Schaefer, III J. Am. Chem. Soc. 2004 126 4404
- (2004) J. Am. Chem. Soc. , vol.126 , pp. 4404
- Richardson, N.A.¹ Gu, J.² Wang, S.³ Xie, Y.⁴ Schaefer III, H.F.⁵

26
- 0001645088
- I. V. Beregovaya L. N. Shchegoleva Chem. Phys. Lett. 2001 348 501
- (2001) Chem. Phys. Lett. , vol.348 , pp. 501
- Beregovaya, I.V.¹ Shchegoleva, L.N.²

27
- 0000376764
- V. V. Konovalov S. S. Laev I. V. Beregovaya L. N. Shchegoleva V. D. Shteingarts Y. D. Tsvetkov I. Bilkis J. Phys. Chem. A 2000 104 352
- (2000) J. Phys. Chem. a , vol.104 , pp. 352
- Konovalov, V.V.¹ Laev, S.S.² Beregovaya, I.V.³ Shchegoleva, L.N.⁴ Shteingarts, V.D.⁵ Tsvetkov, Y.D.⁶ Bilkis, I.⁷

28
- 0030876127
- D. B. Denney D. Z. Denney S. P. Fenelli Tetrahedron 1997 53 9835
- (1997) Tetrahedron , vol.53 , pp. 9835
- Denney, D.B.¹ Denney, D.Z.² Fenelli, S.P.³

29
- 0030198151
- G. N. Sastry S. Shaik J. Phys. Chem. 1996 100 12241
- (1996) J. Phys. Chem. , vol.100 , pp. 12241
- Sastry, G.N.¹ Shaik, S.²

30
- 0000847947
- J. Bertran I. Gallardo M. Moreno J.-M. Savéant J. Am. Chem. Soc. 1992 114 9576
- (1992) J. Am. Chem. Soc. , vol.114 , pp. 9576
- Bertran, J.¹ Gallardo, I.² Moreno, M.³ Savéant, J.-M.⁴

31
- 0002243275
- R. Benassi F. Bernardi A. Botonni M. A. Robb F. Taddei Chem. Phys. Lett. 1989 161 79
- (1989) Chem. Phys. Lett. , vol.161 , pp. 79
- Benassi, R.¹ Bernardi, F.² Botonni, A.³ Robb, M.A.⁴ Taddei, F.⁵

32
- 0032001460
- C. Desfrançois V. Periquet Y. Bouteiller J. P. Schermann J. Phys. Chem. A 1998 102 1274
- (1998) J. Phys. Chem. a , vol.102 , pp. 1274
- Desfrançois, C.¹ Periquet, V.² Bouteiller, Y.³ Schermann, J.P.⁴

33
- 0034677756
- G. L. Borosky S.-I. Nishimoto A. B. Pierini THEOCHEM 2000 499 151
- (2000) THEOCHEM , vol.499 , pp. 151
- Borosky, G.L.¹ Nishimoto, S.-I.² Pierini, A.B.³

34
- 0037471650
- J. M. Gonzales C. J. Barden S. T. Brown P. von Rague Schleyer H. F. Schaefer, III Q.-S. Li J. Am. Chem. Soc. 2003 125 1064
- (2003) J. Am. Chem. Soc. , vol.125 , pp. 1064
- Gonzales, J.M.¹ Barden, C.J.² Brown, S.T.³ Von Rague Schleyer, P.⁴ Schaefer III, H.F.⁵ Li, Q.-S.⁶

35
- 0034793909
- S. S. Wesolowski M. L. Leininger P. N. Pentchev H. F. Schaefer, III J. Am. Chem. Soc. 2001 123 4023
- (2001) J. Am. Chem. Soc. , vol.123 , pp. 4023
- Wesolowski, S.S.¹ Leininger, M.L.² Pentchev, P.N.³ Schaefer III, H.F.⁴

36
- 0037189907
- N. A. Richardson S. S. Wesolowski H. F. Schaefer, III J. Am. Chem. Soc. 2002 124 10163
- (2002) J. Am. Chem. Soc. , vol.124 , pp. 10163
- Richardson, N.A.¹ Wesolowski, S.S.² Schaefer III, H.F.³

37
- 0037461625
- N. A. Richardson S. S. Wesolowski H. F. Schaefer, III J. Phys. Chem. B 2003 107 848
- (2003) J. Phys. Chem. B , vol.107 , pp. 848
- Richardson, N.A.¹ Wesolowski, S.S.² Schaefer III, H.F.³

38
- 33751385072
- N. A. Oyler L. Adamowicz J. Phys. Chem. 1993 97 11122
- (1993) J. Phys. Chem. , vol.97 , pp. 11122
- Oyler, N.A.¹ Adamowicz, L.²

39
- 0000896264
- K. Aflatooni G. A. Gallup P. D. Burrow J. Phys. Chem. A 1998 102 6205
- (1998) J. Phys. Chem. a , vol.102 , pp. 6205
- Aflatooni, K.¹ Gallup, G.A.² Burrow, P.D.³

40
- 33751155346
- M. D. Sevilla B. Besler A. O. Colson J. Phys. Chem. 1995 99 1060
- (1995) J. Phys. Chem. , vol.99 , pp. 1060
- Sevilla, M.D.¹ Besler, B.² Colson, A.O.³

41
- 84962355587
- D. M. A. Vera A. B. Pierini J. Phys. Org. Chem. 2002 15 894
- (2002) J. Phys. Org. Chem. , vol.15 , pp. 894
- Vera, D.M.A.¹ Pierini, A.B.²

42
- 84962477161
- A. B. Pierini A. N. Santiago S. G. Allende D. M. A. Vera ARKIVOC 2003 X 477
- (2003) ARKIVOC , vol.10 , pp. 477
- Pierini, A.B.¹ Santiago, A.N.² Allende, S.G.³ Vera, D.M.A.⁴

43
- 33747404888
- J. G. Uranga D. M. A. Vera A. N. Santiago A. B. Pierini J. Org. Chem. 2006 71 6596 6599
- (2006) J. Org. Chem. , vol.71 , pp. 6596-6599
- Uranga, J.G.¹ Vera, D.M.A.² Santiago, A.N.³ Pierini, A.B.⁴

44
- 84962373591
- V. Grosso C. Previtali C. A. Chesta D. M. A. Vera A. B. Pierini Phys. Chem. Chem. Phys. 2007 9 5988 5996
- (2007) Phys. Chem. Chem. Phys. , vol.9 , pp. 5988-5996
- Grosso, V.¹ Previtali, C.² Chesta, C.A.³ Vera, D.M.A.⁴ Pierini, A.B.⁵

45
- 84962339854
- M. Haranczyk M. Gutowski J. Am. Chem. Soc. 2005 127 699 706
- (2005) J. Am. Chem. Soc. , vol.127 , pp. 699-706
- Haranczyk, M.¹ Gutowski, M.²

46
- 0042872845
- A. Modelli Phys. Chem. Chem. Phys. 2003 5 2923 2930
- (2003) Phys. Chem. Chem. Phys. , vol.5 , pp. 2923-2930
- Modelli, A.¹

47
- 0037125496
- A. Modelli M. Venuti L. Szepes J. Am. Chem. Soc. 2002 124 8498 8504
- (2002) J. Am. Chem. Soc. , vol.124 , pp. 8498-8504
- Modelli, A.¹ Venuti, M.² Szepes, L.³

48
- 0032280766
- J. Schiedt R. Weinkauf D. M. Neumark E. W. Schlag Chem. Phys. 1998 239 511
- (1998) Chem. Phys. , vol.239 , pp. 511
- Schiedt, J.¹ Weinkauf, R.² Neumark, D.M.³ Schlag, E.W.⁴

49
- 0001764564
- V. Periquet A. Moreau S. Carles J. P. Schermann C. Desfrançois J. Electron Spectrosc. Relat. Phenom. 2000 106 141
- (2000) J. Electron Spectrosc. Relat. Phenom. , vol.106 , pp. 141
- Periquet, V.¹ Moreau, A.² Carles, S.³ Schermann, J.P.⁴ Desfrançois, C.⁵

50
- 36749114988
- I. Nenner G. J. Schutlz J. Chem. Phys. 1975 62 1747
- (1975) J. Chem. Phys. , vol.62 , pp. 1747
- Nenner, I.¹ Schutlz, G.J.²

51
- 0001026243
- P. D. Burrow K. D. Jordan Chem. Phys. Lett. 1975 36 594
- (1975) Chem. Phys. Lett. , vol.36 , pp. 594
- Burrow, P.D.¹ Jordan, K.D.²

52
- 0001013904
- C. H. DePuy S. Gronert S. E. Barlow V. M. Bierbaum R. Damrauer J. Am. Chem. Soc. 1989 111 1968
- (1989) J. Am. Chem. Soc. , vol.111 , pp. 1968
- Depuy, C.H.¹ Gronert, S.² Barlow, S.E.³ Bierbaum, V.M.⁴ Damrauer, R.⁵

53
- 49349126953
- G. I MacKay D. K. Bohme Int. J. Mass Spectrom. Ion Phys. 1978 26 327
- (1978) Int. J. Mass Spectrom. Ion Phys. , vol.26 , pp. 327
- MacKay, G.I.¹ Bohme, D.K.²

54
- 0000563621
- H. Van Veen Chem. Phys. Lett. 1976 41 535
- (1976) Chem. Phys. Lett. , vol.41 , pp. 535
- Van Veen, H.¹

55
- 0001304918
- K. D. Jordan J. A. Michejda P. D. Burrow J. Am. Chem. Soc. 1976 98 7189
- (1976) J. Am. Chem. Soc. , vol.98 , pp. 7189
- Jordan, K.D.¹ Michejda, J.A.² Burrow, P.D.³

56
- 21944457052
- P. D. Burrow J. A. Michejda K. D. Jordan J. Am. Chem. Soc. 1976 98 6392
- (1976) J. Am. Chem. Soc. , vol.98 , pp. 6392
- Burrow, P.D.¹ Michejda, J.A.² Jordan, K.D.³

57
- 33847797717
- K. D. Jordan J. A. Michejda P. D. Burrow J. Am. Chem. Soc. 1976 98 1295
- (1976) J. Am. Chem. Soc. , vol.98 , pp. 1295
- Jordan, K.D.¹ Michejda, J.A.² Burrow, P.D.³

58
- 0001251663
- M. F. Falcetta K. Toulan A. Rahman Phys. Rev. B 1985 31 2643
- (1985) Phys. Rev. B , vol.31 , pp. 2643
- Falcetta, M.F.¹ Toulan, K.² Rahman, A.³

59
- 33748608173
- A. Knapp O. Echt D. Kreisle T. D. Mark E. Recknagel Chem. Phys. Lett. 1986 126 225
- (1986) Chem. Phys. Lett. , vol.126 , pp. 225
- Knapp, A.¹ Echt, O.² Kreisle, D.³ Mark, T.D.⁴ Recknagel, E.⁵

60
- 30844467293
- R. N. Compton P. W. Reinhardt C. D. Cooper J. Chem. Phys. 1975 63 3821
- (1975) J. Chem. Phys. , vol.63 , pp. 3821
- Compton, R.N.¹ Reinhardt, P.W.² Cooper, C.D.³

61
- 0001432312
- K. D. Jordan J. A. Michejda P. D. Burrow Chem. Phys. Lett. 1976 42 227
- (1976) Chem. Phys. Lett. , vol.42 , pp. 227
- Jordan, K.D.¹ Michejda, J.A.² Burrow, P.D.³

62
- 33947092071
- K. D. Jordan P. D. Burrow Acc. Chem. Res. 1978 11 341
- (1978) Acc. Chem. Res. , vol.11 , pp. 341
- Jordan, K.D.¹ Burrow, P.D.²

63
- 0039262554
- E. H. van Veen W. L. Van Dijk H. H. Brogersma Chem. Phys. 1976 16 337
- (1976) Chem. Phys. , vol.16 , pp. 337
- Van Veen, E.H.¹ Van Dijk, W.L.² Brogersma, H.H.³

64
- 0000171346
- See also ref. 13a, 15 and 20
- P. D. Burrow A. Modelli N. S. Chiu K. D. Jordan Chem. Phys. Lett. 1981 82 270
- (1981) Chem. Phys. Lett. , vol.82 , pp. 270
- Burrow, P.D.¹ Modelli, A.² Chiu, N.S.³ Jordan, K.D.⁴

65
- 26844571037
- D. J. Tozer F. De Proft J. Phys. Chem. A 2005 109 8923
- (2005) J. Phys. Chem. a , vol.109 , pp. 8923
- Tozer, D.J.¹ De Proft, F.²

66
- 84962426717
- F. De Proft N. Sablon D. J. Tozer P. Geerlings Faraday Discuss. 2007 135 151
- (2007) Faraday Discuss. , vol.135 , pp. 151
- De Proft, F.¹ Sablon, N.² Tozer, D.J.³ Geerlings, P.⁴

67
- 34547211772
- D. J. Tozer F. De Proft J. Chem. Phys. 2007 127 34108
- (2007) J. Chem. Phys. , vol.127 , pp. 34108
- Tozer, D.J.¹ De Proft, F.²

68
- 50249212855
- T. A. Koopmans Physica 1933 1 104
- (1933) Physica , vol.1 , pp. 104
- Koopmans, T.A.¹

69
- 40149090664
- Nevertheless, KT values can be used as an estimation to the valence EAs, as shown in ref. 1; instead of using the KT definition of vertical EA = -ε(LUMO), a linear relationship of the type [aε(LUMO) + b], finding the appropriate values for the slope a and intercept b by curve fitting. A suitable analytical value of the intercept can be derived from the ionization potentials, as shown in ref. 22 and 23, where a different correction strategy to the KT values is proposed
- R. Stowasser R. Hoffman J. Am. Chem. Soc. 1999 121 3413
- (1999) J. Am. Chem. Soc. , vol.121 , pp. 3413
- Stowasser, R.¹ Hoffman, R.²

70
- 11744256643
- J. Tomasi M. Persico Chem. Rev. 1994 94 2027 2094
- (1994) Chem. Rev. , vol.94 , pp. 2027-2094
- Tomasi, J.¹ Persico, M.²

71
- 0006165024
- A. Dejaegere M. Karplus J. Phys. Chem. 1995 100 11148 11164
- (1995) J. Phys. Chem. , vol.100 , pp. 11148-11164
- Dejaegere, A.¹ Karplus, M.²

72
- 40149093094
- M.-L. Stien M. Claessens A. Lopez J. Resisse J. Am. Chem. Soc. 1984 102 5902 5905
- (1984) J. Am. Chem. Soc. , vol.102 , pp. 5902-5905
- Stien, M.-L.¹ Claessens, M.² Lopez, A.³ Resisse, J.⁴

74
- 0345491105
- C. Lee W. Yang R. G. Parr Phys. Rev. B 1988 37 785
- (1988) Phys. Rev. B , vol.37 , pp. 785
- Lee, C.¹ Yang, W.² Parr, R.G.³

75
- 4243553426
- A. D. Becke Phys. Rev. A 1988 38 3098
- (1988) Phys. Rev. a , vol.38 , pp. 3098
- Becke, A.D.¹

76
- 0038596731
- B. Miehlich A. Savin H. Stoll H. Preuss Chem. Phys. Lett. 1989 157 200
- (1989) Chem. Phys. Lett. , vol.157 , pp. 200
- Miehlich, B.¹ Savin, A.² Stoll, H.³ Preuss, H.⁴

77
- 0033963034
- G. Schaftenaar J. H. Noordik J. Comput. Aided Mol. Des. 2000 14 123 134
- (2000) J. Comput. Aided Mol. Des. , vol.14 , pp. 123-134
- Schaftenaar, G.¹ Noordik, J.H.²

78
- 40149090322
- http://www.ks.uiuc.edu/Research/vmd/

79
- 0029878720
- W. Humphrey A. Dalke K. Schultten J. Mol. Graphics 1996 14 33
- (1996) J. Mol. Graphics , vol.14 , pp. 33
- Humphrey, W.¹ Dalke, A.² Schultten, K.³

80
- 0031209054
- M. T. Cancès B. Mennucci J. Tomasi J. Chem. Phys. 1997 107 3032
- (1997) J. Chem. Phys. , vol.107 , pp. 3032
- Cancès, M.T.¹ Mennucci, B.² Tomasi, J.³

81
- 84961979198
- B. Mennucci J. Tomasi J. Chem. Phys. 1997 106 5151
- (1997) J. Chem. Phys. , vol.106 , pp. 5151
- Mennucci, B.¹ Tomasi, J.²

82
- 0031553301
- B. Mennucci E. Cancès J. Tomasi J. Phys. Chem. B 1997 101 10506
- (1997) J. Phys. Chem. B , vol.101 , pp. 10506
- Mennucci, B.¹ Cancès, E.² Tomasi, J.³

83
- 84962428823
- J. Tomasi B. Mennucci E. Cancès THEOCHEM 1997 464 211
- (1997) THEOCHEM , vol.464 , pp. 211
- Tomasi, J.¹ Mennucci, B.² Cancès, E.³

84
- 0000262725
- D. M. Chipman J. Chem. Phys. 2000 112 5558
- (2000) J. Chem. Phys. , vol.112 , pp. 5558
- Chipman, D.M.¹

85
- 0035826004
- E. Cancès B. Mennucci J. Chem. Phys. 2001 114 4744
- (2001) J. Chem. Phys. , vol.114 , pp. 4744
- Cancès, E.¹ Mennucci, B.²

* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.