SCOPUS 정보 검색 플랫폼 - 논문 보기

메뉴 건너뛰기

Journal of Computational Chemistry

Volumn 36, Issue 9, 2015, Pages 649-659

Quantifying electro/nucleophilicity by partitioning the dual descriptor

(3) Tognetti, Vincent a Morell, Christophe b Joubert, Laurent a

a NORMANDIE UNIVERSITÉ (France)

b UNIVERSITÉ DE LYON (France)

Author keywords

Atomic condensation; Carbocations; Conceptual DFT; Dual descriptor; Electrophilicity; Grid algorithm; Halogen bonds; Nucleophilicity; holes

Indexed keywords

CONDENSATION;

CARBOCATIONS; CONCEPTUAL DFT; DESCRIPTORS; ELECTROPHILICITY; HALOGEN BONDS; NUCLEOPHILICITIES;

QUANTUM CHEMISTRY;

EID: 84923224025 PISSN: 01928651 EISSN: 1096987X Source Type: Journal
DOI: 10.1002/jcc.23840 Document Type: Article

Times cited : (41)

References (82)

1
- 0038661201
- P. Geerlings, F. de Proft, W. Langenaecker, Chem. Rev. 2003, 103, 1793.
- (2003) Chem. Rev. , vol.103 , pp. 1793
- Geerlings, P.¹ De Proft, F.² Langenaecker, W.³

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

3
- 0007627552
- H. Chermette, J. Comput. Chem. 1999, 20, 129.
- (1999) J. Comput. Chem. , vol.20 , pp. 129
- Chermette, H.¹

4
- 0042534101
- R. G. Parr, W. T. Yang, J. Am. Chem. Soc. 1984, 106, 4049.
- (1984) J. Am. Chem. Soc. , vol.106 , pp. 4049
- Parr, R.G.¹ Yang, W.T.²

5
- 84923226613
- P. K. Chattaraj, Ed.; CRC Press: Boca Raton
- P. W. Ayers, W. Yang, L. J. Bartolotti, Fukui Function in Chemical Reactivity Theory: A DFT View; P. K. Chattaraj, Ed.; CRC Press: Boca Raton, 2010.
- (2010) Fukui Function in Chemical Reactivity Theory: A DFT View
- Ayers, P.W.¹ Yang, W.² Bartolotti, L.J.³

6
- 12344336588
- C. Morell, A. Grand, A. Toro-Labbé, J. Phys. Chem. A 2005, 109, 205.
- (2005) J. Phys. Chem. A , vol.109 , pp. 205
- Morell, C.¹ Grand, A.² Toro-Labbé, A.³

7
- 57349153023
- C. Morell, P. W. Ayers, A. Grand, S. Gutiérrez-Oliva, A. Toro-Labbé, Phys. Chem. Chem. Phys. 2008, 10, 7239.
- (2008) Phys. Chem. Chem. Phys. , vol.10 , pp. 7239
- Morell, C.¹ Ayers, P.W.² Grand, A.³ Gutiérrez-Oliva, S.⁴ Toro-Labbé, A.⁵

8
- 35348940164
- P. W. Ayers, C. Morell, F. de Proft, P. Geerlings, Chem.-Eur. J. 2007, 13, 8240.
- (2007) Chem.-Eur. J. , vol.13 , pp. 8240
- Ayers, P.W.¹ Morell, C.² De Proft, F.³ Geerlings, P.⁴

9
- 84861142090
- P. Geerlings, P. W. Ayers, A. Toro-Labbé, P. K. Chattaraj, F. De Proft, Acc. Chem. Res. 2012, 45, 683.
- (2012) Acc. Chem. Res. , vol.45 , pp. 683
- Geerlings, P.¹ Ayers, P.W.² Toro-Labbé, A.³ Chattaraj, P.K.⁴ De Proft, F.⁵

10
- 84879780530
- J. I. Martínez-Araya, J. Mol. Model. 2013, 19, 2715.
- (2013) J. Mol. Model. , vol.19 , pp. 2715
- Martínez-Araya, J.I.¹

11
- 79951769957
- J. I. Martinez, J. L. Montcada, J. M. Laurenas, J. Mol. Model. 2010, 12, 1825.
- (2010) J. Mol. Model. , vol.12 , pp. 1825
- Martinez, J.I.¹ Montcada, J.L.² Laurenas, J.M.³

12
- 84861234183
- R. Inostroza, B. Herrera, A. Toro-Labbé, Comput. Theor. Chem. 2012, 990, 222.
- (2012) Comput. Theor. Chem. , vol.990 , pp. 222
- Inostroza, R.¹ Herrera, B.² Toro-Labbé, A.³

13
- 77952483983
- H. Jiang, F. Hao, Q. Chen, J. Xiao, S. Lui, Y. Gu, J. Org. Chem. 2010, 75, 3511.
- (2010) J. Org. Chem. , vol.75 , pp. 3511
- Jiang, H.¹ Hao, F.² Chen, Q.³ Xiao, J.⁴ Lui, S.⁵ Gu, Y.⁶

14
- 79955805264
- S. Liu, D. Ess, C. Schauer, J. Phys. Chem. A 2011, 115, 4738.
- (2011) J. Phys. Chem. A , vol.115 , pp. 4738
- Liu, S.¹ Ess, D.² Schauer, C.³

15
- 80052966331
- A. Mattei, T. Liu, Int. J. Pharm. 2011, 418, 179.
- (2011) Int. J. Pharm. , vol.418 , pp. 179
- Mattei, A.¹ Liu, T.²

16
- 84904276332
- V. Tognetti, A. Boulangé, P. A. Peixoto, X. Franck, L. Joubert, J. Mol. Model. 2014, 20, 2342.
- (2014) J. Mol. Model. , vol.20 , pp. 2342
- Tognetti, V.¹ Boulangé, A.² Peixoto, P.A.³ Franck, X.⁴ Joubert, L.⁵

17
- 0037157329
- P. W. Ayers, R. C. Morrison, R. K. Roy, J. Chem. Phys. 2002, 116, 8731.
- (2002) J. Chem. Phys. , vol.116 , pp. 8731
- Ayers, P.W.¹ Morrison, R.C.² Roy, R.K.³

18
- 0034246593
- P. Fuentealba, P. Pérez, R. Contreras, J. Chem. Phys. 2000, 113, 2544.
- (2000) J. Chem. Phys. , vol.113 , pp. 2544
- Fuentealba, P.¹ Pérez, P.² Contreras, R.³

19
- 84857232794
- F. Zielinski, V. Tognetti, L. Joubert, Chem. Phys. Lett. 2012, 527, 67.
- (2012) Chem. Phys. Lett. , vol.527 , pp. 67
- Zielinski, F.¹ Tognetti, V.² Joubert, L.³

20
- 84882895428
- F. Zielinski, V. Tognetti, L. Joubert, J. Mol. Model. 2013, 19, 4049.
- (2013) J. Mol. Model. , vol.19 , pp. 4049
- Zielinski, F.¹ Tognetti, V.² Joubert, L.³

21
- 27844547082
- P. Kolandaivel, G. Praveena, P. Selvarengan, J. Chem. Sci. 2005, 117, 591.
- (2005) J. Chem. Sci. , vol.117 , pp. 591
- Kolandaivel, P.¹ Praveena, G.² Selvarengan, P.³

22
- 84878569687
- T. C. Allison, Y. J. Tong, Electrochim. Acta 2013, 101, 334.
- (2013) Electrochim. Acta , vol.101 , pp. 334
- Allison, T.C.¹ Tong, Y.J.²

23
- 39849106171
- D. R. Roy, P. K. Chattaraj, J. Phys. Chem. A 2008, 112, 1612.
- (2008) J. Phys. Chem. A , vol.112 , pp. 1612
- Roy, D.R.¹ Chattaraj, P.K.²

24
- 33845375966
- W. Yang, W. J. Mortier, J. Am. Chem. Soc. 1986, 108, 5708.
- (1986) J. Am. Chem. Soc. , vol.108 , pp. 5708
- Yang, W.¹ Mortier, W.J.²

25
- 0001154851
- R. R. Contreras, P. Fuentealba, M. Galván, P. Pérez, Chem. Phys. Lett. 1999, 304, 405.
- (1999) Chem. Phys. Lett. , vol.304 , pp. 405
- Contreras, R.R.¹ Fuentealba, P.² Galván, M.³ Pérez, P.⁴

26
- 25444476718
- E. Chamorro, P. Pérez, J. Chem. Phys. 2005, 123, 114107.
- (2005) J. Chem. Phys. , vol.123 , pp. 114107
- Chamorro, E.¹ Pérez, P.²

27
- 77953573486
- R. K. Roy, S. Saha, Annu. Rep. Prog. Chem. C 2010, 106, 118.
- (2010) Annu. Rep. Prog. Chem. C , vol.106 , pp. 118
- Roy, R.K.¹ Saha, S.²

28
- 0035958488
- A. Ponti, G. Molteni, J. Org. Chem. 2001, 66, 5252.
- (2001) J. Org. Chem. , vol.66 , pp. 5252
- Ponti, A.¹ Molteni, G.²

29
- 0030837872
- S. Damoun, G. Van de Woude, F. Méndez, P. Geerlings, J. Phys. Chem. A 1997, 101, 886.
- (1997) J. Phys. Chem. A , vol.101 , pp. 886
- Damoun, S.¹ Van De Woude, G.² Méndez, F.³ Geerlings, P.⁴

30
- 84857551694
- P. K. Chattaraj, S. Duley, L. R. Domingo, Org. Biomol. Chem. 2012, 10, 2855.
- (2012) Org. Biomol. Chem. , vol.10 , pp. 2855
- Chattaraj, P.K.¹ Duley, S.² Domingo, L.R.³

31
- 84555177516
- N. Acharjee, A. Banerji, Comput. Theor. Chem. 2011, 967, 50.
- (2011) Comput. Theor. Chem. , vol.967 , pp. 50
- Acharjee, N.¹ Banerji, A.²

32
- 84903776383
- F. Guégan, P. Mignon, V. Tognetti, L. Joubert, C. Morell, Phys. Chem. Chem. Phys. 2014, 16, 15558.
- (2014) Phys. Chem. Chem. Phys. , vol.16 , pp. 15558
- Guégan, F.¹ Mignon, P.² Tognetti, V.³ Joubert, L.⁴ Morell, C.⁵

33
- 33745753520
- G. Henkelman, A. Arnaldsson, H. Jónsson, Comput. Mater. Sci. 2006, 36, 354.
- (2006) Comput. Mater. Sci. , vol.36 , pp. 354
- Henkelman, G.¹ Arnaldsson, A.² Jónsson, H.³

34
- 0001360957
- M. Phillips, S. Levy, T. Munzner, Notices of the Amer. Math. Soc. 1993, 40, 985, available at http://www.geomview.org.
- (1993) Notices of the Amer. Math. Soc. , vol.40 , pp. 985
- Phillips, M.¹ Levy, S.² Munzner, T.³

35
- 84881449988
- V. Tognetti, C. Morell, P. W. Ayers, L. Joubert, H. Chermette, Phys. Chem. Chem. Phys. 2013, 15, 14465.
- (2013) Phys. Chem. Chem. Phys. , vol.15 , pp. 14465
- Tognetti, V.¹ Morell, C.² Ayers, P.W.³ Joubert, L.⁴ Chermette, H.⁵

36
- 84893822941
- L.-A. Jouanno, V. Di Mascio, V. Tognetti, L. Joubert, C. Sabot, P.-Y. Renard, J. Org. Chem. 2014, 79, 1303.
- (2014) J. Org. Chem. , vol.79 , pp. 1303
- Jouanno, L.-A.¹ Di Mascio, V.² Tognetti, V.³ Joubert, L.⁴ Sabot, C.⁵ Renard, P.-Y.⁶

37
- 84893510771
- O. A. Syzgantseva, V. Tognetti, A. Boulangé, P. A. Peixoto, S. Leleu, X. Franck, L. Joubert, J. Phys. Chem. A 2014, 118, 757.
- (2014) J. Phys. Chem. A , vol.118 , pp. 757
- Syzgantseva, O.A.¹ Tognetti, V.² Boulangé, A.³ Peixoto, P.A.⁴ Leleu, S.⁵ Franck, X.⁶ Joubert, L.⁷

38
- 84879782321
- C. Morell, A. Grand, A. Toro-Labbé, H. Chermette, J. Mol. Model. 2013, 19, 2893.
- (2013) J. Mol. Model. , vol.19 , pp. 2893
- Morell, C.¹ Grand, A.² Toro-Labbé, A.³ Chermette, H.⁴

39
- 34948819765
- J. Padmanabhan, R. Parthasarathi, M. Elango, V. Subramanian, B. S. Krishnamoorthy, S. Gutierrez-Oliva, A. Toro-Labbé, D. R. Roy, P. K. Chattaraj, J. Phys. Chem. A 2007, 111, 9130.
- (2007) J. Phys. Chem. A , vol.111 , pp. 9130
- Padmanabhan, J.¹ Parthasarathi, R.² Elango, M.³ Subramanian, V.⁴ Krishnamoorthy, B.S.⁵ Gutierrez-Oliva, S.⁶ Toro-Labbé, A.⁷ Roy, D.R.⁸ Chattaraj, P.K.⁹

40
- 84911485405
- C. Morell, J. Gazquez, A. Vela, F. Guégan, H. Chermette, Phys. Chem. Chem. Phys. 2014, 16, 26832.
- (2014) Phys. Chem. Chem. Phys. , vol.16 , pp. 26832
- Morell, C.¹ Gazquez, J.² Vela, A.³ Guégan, F.⁴ Chermette, H.⁵

41
- 0040942563
- R. G. Parr, L. von Szentpály, S. Liu, J. Am. Chem. Soc. 1999, 121, 1922.
- (1999) J. Am. Chem. Soc. , vol.121 , pp. 1922
- Parr, R.G.¹ Von Szentpály, L.² Liu, S.³

42
- 79951660496
- P. K. Chattaraj, S. Giri, S. Duley, Chem. Rev. 2011, 111, 43.
- (2011) Chem. Rev. , vol.111 , pp. 43
- Chattaraj, P.K.¹ Giri, S.² Duley, S.³

43
- 4644291968
- R. Parthasarathi, V. Subramanian, D. R. Roy, P. K. Chattaraj, Bioorg. Med. Chem. 2004, 12, 5533.
- (2004) Bioorg. Med. Chem. , vol.12 , pp. 5533
- Parthasarathi, R.¹ Subramanian, V.² Roy, D.R.³ Chattaraj, P.K.⁴

44

45
- 84875979464
- S. Kozuch, J. M. L. Martin, J. Chem. Theory Comput. 2013, 9, 1918.
- (2013) J. Chem. Theory Comput. , vol.9 , pp. 1918
- Kozuch, S.¹ Martin, J.M.L.²

46
- 55849117399
- J.-D. Chai, M. Head-Gordon, Phys. Chem. Chem. Phys. 2008, 10, 6615.
- (2008) Phys. Chem. Chem. Phys. , vol.10 , pp. 6615
- Chai, J.-D.¹ Head-Gordon, M.²

47
- 84901274697
- S. Liu, C. Rong, T. Lu, J. Phys. Chem. A 2014, 118, 3698.
- (2014) J. Phys. Chem. A , vol.118 , pp. 3698
- Liu, S.¹ Rong, C.² Lu, T.³

48
- 0001553329
- F. L. Hirshfeld, Theor. Chim. Acta 1977, 44, 129.
- (1977) Theor. Chim. Acta , vol.44 , pp. 129
- Hirshfeld, F.L.¹

49
- 46049099321
- Structure and Bonding, Springer: Berlin
- P. Metrangolo, G. Resnati, Eds. Halogen Bonding: Fundamentals and Applications, Vol. 126; Structure and Bonding, Springer: Berlin, 2008.
- (2008) Halogen Bonding: Fundamentals and Applications , vol.126
- Metrangolo, P.¹ Resnati, G.²

50
- 84870800314
- P. Metrangolo, G. Resnati, Cryst. Growth Des. 2012, 12, 5835.
- (2012) Cryst. Growth Des. , vol.12 , pp. 5835
- Metrangolo, P.¹ Resnati, G.²

51
- 77954598483
- A. C. Legon, Phys. Chem. Chem. Phys. 2010, 12, 7736.
- (2010) Phys. Chem. Chem. Phys. , vol.12 , pp. 7736
- Legon, A.C.¹

52
- 69249215338
- M. Fourmigué, Curr. Opin. Solid State Mater. Sci. 2009, 13, 36.
- (2009) Curr. Opin. Solid State Mater. Sci. , vol.13 , pp. 36
- Fourmigué, M.¹

53
- 77951793408
- Y. Lu, Y. Wang, W. Zhu, Phys. Chem. Chem. Phys. 2010, 12, 4543.
- (2010) Phys. Chem. Chem. Phys. , vol.12 , pp. 4543
- Lu, Y.¹ Wang, Y.² Zhu, W.³

54
- 84888619396
- A. Priimagi, G. Cavallo, P. Metrangolo, G. Resnati, Acc. Chem. Res. 2013, 46, 2686.
- (2013) Acc. Chem. Res. , vol.46 , pp. 2686
- Priimagi, A.¹ Cavallo, G.² Metrangolo, P.³ Resnati, G.⁴

55
- 84884315985
- O. A. Syzgantseva, V. Tognetti, L. Joubert, J. Phys. Chem. A 2013, 117, 8969.
- (2013) J. Phys. Chem. A , vol.117 , pp. 8969
- Syzgantseva, O.A.¹ Tognetti, V.² Joubert, L.³

56
- 84881059458
- R. Desiraju Gautam, P. S. Ho, L. Kloo, A. Legon, R. Marquardt, P. Metrangolo, P. Politzer, G. Resnati, K. Rissanen, Pure Appl. Chem. 2013, 85, 1711.
- (2013) Pure Appl. Chem. , vol.85 , pp. 1711
- Desiraju Gautam, R.¹ Ho, P.S.² Kloo, L.³ Legon, A.⁴ Marquardt, R.⁵ Metrangolo, P.⁶ Politzer, P.⁷ Resnati, G.⁸ Rissanen, K.⁹

57
- 84990712119
- T. Brinck, J. S. Murray, P. Politzer, Int. J. Quantum Chem. 1992, 44, 57.
- (1992) Int. J. Quantum Chem. , vol.44 , pp. 57
- Brinck, T.¹ Murray, J.S.² Politzer, P.³

58
- 33846676142
- T. Clark, M. Hennemann, J. Murray, P. Politzer, J. Mol. Model. 2007, 13, 291.
- (2007) J. Mol. Model. , vol.13 , pp. 291
- Clark, T.¹ Hennemann, M.² Murray, J.³ Politzer, P.⁴

59
- 67349235534
- J. Murray, P. Lane, P. Politzer, J. Mol. Model. 2009, 15, 723.
- (2009) J. Mol. Model. , vol.15 , pp. 723
- Murray, J.¹ Lane, P.² Politzer, P.³

60
- 84871444956
- T. Clark, WIRES Comput. Mol. Sci. 2013, 3, 13.
- (2013) WIRES Comput. Mol. Sci. , vol.3 , pp. 13
- Clark, T.¹

61
- 84871968991
- B. Pinter, N. Nagels, W. A. Herrebout, F. De Proft, Chem.-Eur. J. 2013, 19, 519.
- (2013) Chem.-Eur. J. , vol.19 , pp. 519
- Pinter, B.¹ Nagels, N.² Herrebout, W.A.³ De Proft, F.⁴

62
- 34347385022
- P. Politzer, J. S. Murray, M. C. Concha, J. Mol. Model. 2007, 13, 643.
- (2007) J. Mol. Model. , vol.13 , pp. 643
- Politzer, P.¹ Murray, J.S.² Concha, M.C.³

63
- 77954593406
- P. Politzer, J. S. Murray, T. Clark, Phys. Chem. Chem. Phys. 2010, 12, 7748.
- (2010) Phys. Chem. Chem. Phys. , vol.12 , pp. 7748
- Politzer, P.¹ Murray, J.S.² Clark, T.³

64
- 80054984935
- P. Metrangolo, J. S. Murray, T. Pilati, P. Politzer, G. Resnati, G. Terraneo, CrystEngComm 2011, 13, 6593.
- (2011) CrystEngComm , vol.13 , pp. 6593
- Metrangolo, P.¹ Murray, J.S.² Pilati, T.³ Politzer, P.⁴ Resnati, G.⁵ Terraneo, G.⁶

65
- 84867436995
- A. Forni, S. Rendine, S. Pieraccini, M. Sironi, J. Mol. Graphics 2012, 38, 31.
- (2012) J. Mol. Graphics , vol.38 , pp. 31
- Forni, A.¹ Rendine, S.² Pieraccini, S.³ Sironi, M.⁴

66
- 84859580690
- Y. Lu, H. Li, X. Zhu, H. Liu, W. Zhu, Int. J. Quantum Chem. 2012, 112, 1421.
- (2012) Int. J. Quantum Chem. , vol.112 , pp. 1421
- Lu, Y.¹ Li, H.² Zhu, X.³ Liu, H.⁴ Zhu, W.⁵

67
- 84962436415
- F. Groenewald, C. Esterhuysen, J. Dillen, Theor. Chem. Acc. 2012, 131, 1281.
- (2012) Theor. Chem. Acc. , vol.131 , pp. 1281
- Groenewald, F.¹ Esterhuysen, C.² Dillen, J.³

68
- 84876698632
- A.-C. C. Carlsson, M. Uhrbom, A. Karim, U. Brath, J. Gräfenstein, M. Erdéyi, CrystEngComm 2013, 15, 3087.
- (2013) CrystEngComm , vol.15 , pp. 3087
- Carlsson, A.-C.C.¹ Uhrbom, M.² Karim, A.³ Brath, U.⁴ Gräfenstein, J.⁵ Erdéyi, M.⁶

69
- 0031553301
- E. Cancès, B. Mennucci, J. Tomasi, J. Chem. Phys. 1997, 101, 10506.
- (1997) J. Chem. Phys. , vol.101 , pp. 10506
- Cancès, E.¹ Mennucci, B.² Tomasi, J.³

70
- 84962381218
- G. Scalmani, M. J. Frisch, J. Chem. Phys. 2010, 132, 114110.
- (2010) J. Chem. Phys. , vol.132 , pp. 114110
- Scalmani, G.¹ Frisch, M.J.²

71
- 33749141140
- H. Mayr, M. Patz, Angew. Chem. Int. Ed. 1994, 33, 938.
- (1994) Angew. Chem. Int. Ed. , vol.33 , pp. 938
- Mayr, H.¹ Patz, M.²

72
- 0035802329
- H. Mayr, T. Bug, M. F. Gotta, N. Hering, B. Irrgang, B. Janker, B. Kempf, R. Loos, A. R. Ofial, G. Remennikov, H. Schimmel, J. Am. Chem. Soc. 2001, 123, 9500.
- (2001) J. Am. Chem. Soc. , vol.123 , pp. 9500
- Mayr, H.¹ Bug, T.² Gotta, M.F.³ Hering, N.⁴ Irrgang, B.⁵ Janker, B.⁶ Kempf, B.⁷ Loos, R.⁸ Ofial, A.R.⁹ Remennikov, G.¹⁰ Schimmel, H.¹¹

73
- 0037016457
- R. Lucius, R. Loos, H. Mayr, Angew. Chem. Int. Ed. 2002, 41, 91.
- (2002) Angew. Chem. Int. Ed. , vol.41 , pp. 91
- Lucius, R.¹ Loos, R.² Mayr, H.³

74
- 0037241494
- H. Mayr, B. Kempf, A. R. Ofial, Acc. Chem. Res. 2003, 36, 66.
- (2003) Acc. Chem. Res. , vol.36 , pp. 66
- Mayr, H.¹ Kempf, B.² Ofial, A.R.³

75
- 0034254984
- R. F. Nalewajski, R. G. Parr, Proc. Natl. Acad. Sci. U.S.A. 2000, 97, 8879.
- (2000) Proc. Natl. Acad. Sci. U.S.A. , vol.97 , pp. 8879
- Nalewajski, R.F.¹ Parr, R.G.²

76
- 84856215640
- T. Lu, F. Chen, J. Comput. Chem. 2012, 33, 580.
- (2012) J. Comput. Chem. , vol.33 , pp. 580
- Lu, T.¹ Chen, F.²

77
- 79953765808
- D. Ghillemijn, P. Bultinck, D. Van Neck, P. W. Ayers, J. Comput. Chem. 2011, 32, 1561.
- (2011) J. Comput. Chem. , vol.32 , pp. 1561
- Ghillemijn, D.¹ Bultinck, P.² Van Neck, D.³ Ayers, P.W.⁴

78
- 36148995600
- A. E. Reed, R. B. Weinstock, F. Weinhold, J. Chem. Phys. 1985, 83, 735.
- (1985) J. Chem. Phys. , vol.83 , pp. 735
- Reed, A.E.¹ Weinstock, R.B.² Weinhold, F.³

79
- 84986513567
- C. M. Breneman, K. B. Wiberg, J. Comput. Chem. 1990, 11, 361.
- (1990) J. Comput. Chem. , vol.11 , pp. 361
- Breneman, C.M.¹ Wiberg, K.B.²

80
- 84255160663
- Y. Huang, L. Liu, S. Liu, J. Phys. Chem. A 2011, 115, 14697.
- (2011) J. Phys. Chem. A , vol.115 , pp. 14697
- Huang, Y.¹ Liu, L.² Liu, S.³

81
- 84882895428
- F. Zielinski, V. Tognetti, L. Joubert, J. Mol. Model. 2013, 19, 4049.
- (2013) J. Mol. Model. , vol.19 , pp. 4049
- Zielinski, F.¹ Tognetti, V.² Joubert, L.³

82
- 77957863625
- F. A. Bulat, A. Toro-Labbé, T. Brinck, J. S. Murray, P. Politzer, J. Mol. Model. 2010, 16, 1679.
- (2010) J. Mol. Model. , vol.16 , pp. 1679
- Bulat, F.A.¹ Toro-Labbé, A.² Brinck, T.³ Murray, J.S.⁴ Politzer, P.⁵

* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.