SCOPUS 정보 검색 플랫폼

Volumn 112, Issue 24, 2014, Pages 3165-3172

Prediction of the linear and nonlinear optical properties of tetrahydronaphthalone derivatives via long-range corrected hybrid functionals

(6) Garza, Alejandro J a Osman, Osman Ibrahim b Wazzan, Nuha Ahmed b Khan, Sher Bahadar b Asiri, Abdullah Mohamed b Scuseria, Gustavo E a,b

a RICE UNIVERSITY (United States)

b KING ABDULAZIZ UNIVERSITY (Saudi Arabia)

Author keywords

DFT; nonlinear optics; organic materials; range separated hybrids; solvatochromic method

Indexed keywords

CHARGE TRANSFER; DENSITY FUNCTIONAL THEORY; OPTICAL PROPERTIES;

CHARGE-TRANSFER EXCITATIONS; HYPERPOLARISABILITY; LINEAR AND NONLINEAR OPTICAL PROPERTIES; NONLINEAR OPTICAL PROPERTIES; ORGANIC MATERIALS; RANGE-SEPARATED HYBRIDS; SOLVATOCHROMIC METHODS; ULTRAVIOLET-VISIBLE SPECTRA;

NONLINEAR OPTICS;

EID: 84916940308 PISSN: 00268976 EISSN: 13623028 Source Type: Journal
DOI: 10.1080/00268976.2014.934312 Document Type: Article

Times cited : (21)

References (79)

1
- 0009297517
- T.H. Maiman, Nature 187, 439 (1960
- (1960) Nature , vol.187 , pp. 439
- Maiman, T.H.¹

2
- 11744320375
- P.A. Franken, A.E. Hill, C.W. Peters, and G. Weinreich, Phys. Rev. Lett. 7, 118 (1961
- (1961) Phys. Rev. Lett , vol.7 , pp. 118
- Franken, P.A.¹ Hill, A.E.² Peters, C.W.³ Weinreich, G.⁴

3
- 84916913766
- edited by S.R. Marder, J.E. Sohn, andG.D. Stucky American Chemical Society,Washington, DC
- S.R. Marder, J.E. Sohn, and G.D. Stucky, in Proceedings of the ACS Symposium, edited by S.R. Marder, J.E. Sohn, andG.D. Stucky (American Chemical Society,Washington, DC, 1991
- (1991) Proceedings of the ACS Symposium
- Marder, S.R.¹ Sohn, J.E.² Stucky, G.D.³

4
- 0003980627
- Academic Press New York
- R.W. Boyd, Nonlinear Optics (Academic Press, New York, 1992
- (1992) Nonlinear Optics
- Boyd, R.W.¹

5
- 33645461710
- S.R. Marder, Chem. Commun. 2, 131 (2006
- (2006) Chem. Commun , vol.2 , pp. 131
- Marder, S.R.¹

6
- 0348080703
- M. Irie, Chem. Rev. 100, 1685 (2000
- (2000) Chem. Rev , vol.100 , pp. 1685
- Irie, M.¹

7
- 0347318597
- S. Kawata and Y. Kawata, Chem. Rev 100, 1777 (2000
- (2000) Chem. Rev , vol.100 , pp. 1777
- Kawata, S.¹ Kawata, Y.²

8
- 1642393147
- H. Tian and S. Yang, Chem. Soc. Rev. 33, 85 (2004
- (2004) Chem. Soc. Rev , vol.33 , pp. 85
- Tian, H.¹ Yang, S.²

9
- 72449196225
- A.S. Dvornikov, E.P. Walker, and P.M. Rentzepis, J. Phys. Chem. A 113, 13633 (2009
- (2009) J. Phys. Chem , vol.A113 , pp. 13633
- Dvornikov, A.S.¹ Walker, E.P.² Rentzepis, P.M.³

10
- 0346785620
- H.Kurtz andD. Dudis, Rev. Comput. Chem. 12, 241 (1998
- (1998) Rev. Comput. Chem , vol.12 , pp. 241
- Kurtz, H.¹ Dudis, D.²

11
- 36449009375
- H. Sekino and R.J. Bartlett, J. Chem. Phys. 98, 3022 (1993
- (1993) J. Chem. Phys , vol.98 , pp. 3022
- Sekino, H.¹ Bartlett, R.J.²

12
- 84864861263
- edited by P.G. Ciarlet and C. Le Bris Elsevier, Amsterdam
- E. Cancès, M. Defranceschi, W. Kutzelnigg, C. Le Bris, and Y. Maday, in Handbook of Numerical Analysis: Special Volume: Computational Chemistry, edited by P.G. Ciarlet and C. Le Bris (Elsevier, Amsterdam, 2003), Vol X, pp. 215-220
- (2003) Handbook of Numerical Analysis: Special Volume: Computational Chemistry , vol.10 , pp. 215-220
- Cancès, E.¹ Defranceschi, M.² Kutzelnigg, W.³ Le Bris, C.⁴ Maday, Y.⁵

13
- 0001393783
- A.Willets, J.E.Rice,D.M. Burland, andD. Shelton, J. Chem. Phys. 97, 7590 (1992
- (1992) J. Chem. Phys , vol.97 , pp. 7590
- Willets, A.¹ Rice, J.E.² Burland, D.M.³ Shelton, D.⁴

14
- 32644450536
- edited by M.G. Papadopoulos, A.J. Sadlej, and J. Leszczynski; Springer Dordrecht
- P. Norman and K. Ruud, in Nonlinear Optical Properties of Matter: From Molecules to Condensed Phases, edited by M.G. Papadopoulos, A.J. Sadlej, and J. Leszczynski; (Springer, Dordrecht, 2006
- (2006) Nonlinear Optical Properties of Matter: From Molecules to Condensed Phases
- Norman, P.¹ Ruud, K.²

15
- 0003395607
- 2nd ed. Wiley London
- C.J. Cramer, Essentials of Computational Chemistry, 2nd ed. (Wiley, London, 2004
- (2004) Essentials of Computational Chemistry
- Cramer, C.J.¹

16
- 0001244910
- D.M. Bishop and B. Kirtman, J. Chem. Phys. 95, 2646 (1991
- (1991) J. Chem. Phys , vol.95 , pp. 2646
- Bishop, D.M.¹ Kirtman, B.²

17
- 0039965882
- J.L. Brédas, C. Adant, P. Tackx, A. Persoons, and B.M. Pierce, Chem. Rev. 94, 243 (1994
- (1994) Chem. Rev , vol.94 , pp. 243
- Brédas, J.L.¹ Adant, C.² Tackx, P.³ Persoons, A.⁴ Pierce, B.M.⁵

18
- 36749111930
- J.L. Oudar and D.S. Chemla, J. Chem. Phys. 66, 2664 (1977
- (1977) J. Chem. Phys , vol.66 , pp. 2664
- Oudar, J.L.¹ Chemla, D.S.²

19
- 0003423449
- edited by R.A. Hann and D. Bloor (The Royal Society of Chemistry London
- M. Hurst and R.W. Munn, in Organic Materials for Nonlinear Optics, edited by R.A. Hann and D. Bloor (The Royal Society of Chemistry, London, 1989
- (1989) Organic Materials for Nonlinear Optics
- Hurst, M.¹ Munn, R.W.²

20
- 0142175456
- D.R. Kanis, M.A. Ratner, and T.J. Marks, Chem. Rev. 94, 195 (1994
- (1994) Chem. Rev , vol.94 , pp. 195
- Kanis, D.R.¹ Ratner, M.A.² Marks, T.J.³

21
- 33847366639
- G. Ramakrishna and T. Goodson III, J. Phys. Chem. A 111, 993 (2007
- (2007) J. Phys. Chem , vol.A111 , pp. 993
- Ramakrishna, G.¹ Goodson, T.²

22
- 64549095280
- S. Chakrabarti and K. Ruud, Phys. Chem. Chem. Phys. 11, 2592 (2009
- (2009) Phys. Chem. Chem. Phys , vol.11 , pp. 2592
- Chakrabarti, S.¹ Ruud, K.²

23
- 84981601595
- A. Savin and H. Flad, Int. J.Quantum Chem. 56, 327 (1995
- (1995) Int. J.Quantum Chem , vol.56 , pp. 327
- Savin, A.¹ Flad, H.²

24
- 0035934184
- H. Iikura, T. Tsuneda, T. Yanai, and K. Hirao, J. Chem. Phys. 115, 3540 (2001
- (2001) J. Chem. Phys , vol.115 , pp. 3540
- Iikura, H.¹ Tsuneda, T.² Yanai, T.³ Hirao, K.⁴

25
- 3142771297
- T. Yanai, D.P. Tew, and N.C. Handy, Chem. Phys. Lett. 393, 51 (2004
- (2004) Chem. Phys. Lett , vol.393 , pp. 51
- Yanai, T.¹ Tew, D.P.² Handy, N.C.³

26
- 33747615729
- O.A. Vydrov, J. Heyd, A.V. Krukau, and G.E. Scuseria, J. Chem. Phys. 125, 074106 (2006
- (2006) J. Chem. Phys , vol.125 , pp. 074106
- Vydrov, O.A.¹ Heyd, J.² Krukau, A.V.³ Scuseria, G.E.⁴

27
- 33845753887
- O.A. Vydrov andG.E. Scuseria, J. Chem. Phys. 125, 234109 (2006
- (2006) J. Chem. Phys , vol.125 , pp. 234109
- Vydrov, O.A.¹ Scuseria, G.E.²

28
- 34548510836
- D. Jacquemin, E.A. Perpète, O.A. Vydrov, G.E. Scuseria, and C. Adamo, J. Chem. Phys. 127, 094102 (2007
- (2007) J. Chem. Phys , vol.127 , pp. 094102
- Jacquemin, D.¹ Perpète, E.A.² Vydrov, O.A.³ Scuseria, G.E.⁴ Adamo, C.⁵

29
- 0038527530
- B. Champagne, E.A. Perpete, S.J.A. Van Gisbergen, E.J. Baerends, J.G. Snijders, C. Soubra-Ghaoui, K.A. Robins, and B. Kirtman, J. Chem. Phys. 109, 10489 (1998
- (1998) J. Chem. Phys , vol.109 , pp. 10489
- Champagne, B.¹ Perpete, E.A.² Van Gisbergen, S.J.A.³ Baerends, E.J.⁴ Snijders, J.G.⁵ Soubra-Ghaoui, C.⁶ Robins, K.A.⁷ Kirtman, B.⁸

30
- 0343169730
- B. Champagne, E.A. Perpete, D. Jacquemin, S.J.A. Van Gisbergen, E.J. Baerends, C. Soubra-Ghaoui, K.A. Robins, and B. Kirtman, J. Chem. Phys. 104, 4755 (2000
- (2000) J. Chem. Phys , vol.104 , pp. 4755
- Champagne, B.¹ Perpete, E.A.² Jacquemin, D.³ Van Gisbergen, S.J.A.⁴ Baerends, E.J.⁵ Soubra-Ghaoui, C.⁶ Robins, K.A.⁷ Kirtman, B.⁸

31
- 61649114049
- O. Loboda, R. Zalésny, A. Avramopoulos, J.M. Luis, B. Kirtman B, N. Tagmatarchis, H. Reis, and M.G. Papadopoulos, J. Phys. Chem. A 113, 1159 (2009
- (2009) J. Phys. Chem , vol.A113 , pp. 1159
- Loboda, O.¹ Zalésny, R.² Avramopoulos, A.³ Luis, J.M.⁴ Kirtman, B.B.⁵ Tagmatarchis, N.⁶ Reis, H.⁷ Papadopoulos, M.G.⁸

32
- 0037439814
- M. Van Faassen, R. De Boeij, P.L. Van Leeuwen, J.A. Berger, and J.G. Snijders, J. Chem. Phys. 118, 1044 (2003
- (2003) J. Chem. Phys , vol.118 , pp. 1044
- Van Faassen, M.¹ De Boeij, R.² Van Leeuwen, P.L.³ Berger, J.A.⁴ Snijders, J.G.⁵

33
- 80155148062
- B. Kirtman, V. Lacivita, R. Dovesi, and H. Reis, J. Chem. Phys. 135, 154101 (2011
- (2011) J. Chem. Phys , vol.135 , pp. 154101
- Kirtman, B.¹ Lacivita, V.² Dovesi, R.³ Reis, H.⁴

34
- 2542450086
- Y. Tawada, T. Tsuneda, S. Yanagisawa, T. Yanai, and K. Hirao, J. Chem. Phys. 120, 8425 (2004
- (2004) J. Chem. Phys , vol.120 , pp. 8425
- Tawada, Y.¹ Tsuneda, T.² Yanagisawa, S.³ Yanai, T.⁴ Hirao, K.⁵

35
- 23344450290
- M. Kamiya, H. Sekino, T. Tsuneda T, andK.Hirao, J.Chem. Phys. 122, 234111 (2005
- (2005) J.Chem. Phys , vol.122 , pp. 234111
- Kamiya, M.¹ Sekino, H.² Tsuneda, T.³ Hirao, T.K.⁴

36
- 38749112146
- D. Jacquemin, E.A. Perpète, G.E. Scuseria, I. Ciofini, and C. Adamo, J. Chem. Theory Comput. 4, 123 (2008
- (2008) J. Chem. Theory Comput , vol.4 , pp. 123
- Jacquemin, D.¹ Perpète, E.A.² Scuseria, G.E.³ Ciofini, I.⁴ Adamo, C.⁵

37
- 41749115465
- E.A. Perpète, D. Jacquemin, C. Adamo, and G.E. Scuseria, Chem. Phys. Lett. 456, 101 (2008
- (2008) Chem. Phys. Lett , vol.456 , pp. 101
- Perpète, E.A.¹ Jacquemin, D.² Adamo, C.³ Scuseria, G.E.⁴

38
- 55549085511
- D. Jacquemin, E.A. Perpète, G.E. Scuseria, I. Ciofini, and C. Adamo, Chem. Phys. Lett. 465, 226 (2008
- (2008) Chem. Phys. Lett , vol.465 , pp. 226
- Jacquemin, D.¹ Perpète, E.A.² Scuseria, G.E.³ Ciofini, I.⁴ Adamo, C.⁵

39
- 47249146423
- J. Song, M.A. Watson, H. Sekino, and K. Hirao, J. Chem. Phys. 129, 024117 (2008
- (2008) J. Chem. Phys , vol.129 , pp. 024117
- Song, J.¹ Watson, M.A.² Sekino, H.³ Hirao, K.⁴

40
- 78650860735
- R. Zalésny, I.W. Bulik, W. Bartkowiak, J.M. Luis, A. Avramopoulos, M.G. Papadopoulos, and P. Krawczyk, J. Chem. Phys. 133, 244308 (2010
- (2010) J. Chem. Phys , vol.133 , pp. 244308
- Zalésny, R.¹ Bulik, I.W.² Bartkowiak, W.³ Luis, J.M.⁴ Avramopoulos, A.⁵ Papadopoulos, M.G.⁶ Krawczyk, P.⁷

41
- 79951910760
- M. De Wergifosse and B. Champagne, J. Chem. Phys. 134, 074113 (2011
- (2011) J. Chem. Phys , vol.134 , pp. 074113
- De Wergifosse, M.¹ Champagne, B.²

42
- 34249059034
- D. Jacquemin, E.A. Perpète, M. Medved, G. Scalmani,M.J. Frisch, R. Kobayashi, and C. Adamo,; J. Chem. Phys. 126, 191108 (2007
- (2007) J. Chem. Phys , vol.126 , pp. 191108
- Jacquemin, D.¹ Perpète, E.A.² Medved, M.³ Scalmani, G.⁴ Frisch, M.J.⁵ Kobayashi, R.⁶ Adamo, C.⁷

43
- 33846053607
- K.A. Nguyen, J.E. Rogers, J.E. Slagle, P.N. Day, R. Kannan, L. Tan, P.A. Fleitz, and R. Pachter, J. Phys. Chem. A 110, 13172 (2006
- (2006) J. Phys. Chem , vol.A110 , pp. 13172
- Nguyen, K.A.¹ Rogers, J.E.² Slagle, J.E.³ Day, P.N.⁴ Kannan, R.⁵ Tan, L.⁶ Fleitz, P.A.⁷ Pachter, R.⁸

44
- 84878892913
- A.J. Garza, G.E. Scuseria, S.B. Khan, and A.M. Asiri, Chem. Phys. Lett. 575, 122 (2013
- (2013) Chem. Phys. Lett , vol.575 , pp. 122
- Garza, A.J.¹ Scuseria, G.E.² Khan, S.B.³ Asiri, A.M.⁴

45
- 84863594470
- A.M. Asiri, H.M. Faidallah, M.E.M. Zayed, S.W. Ng, and E.R.T. Tiekink, Acta Crystallogr. E68, o2190 (2012
- (2012) Acta Crystallogr , vol.E68 , pp. o2190
- Asiri, A.M.¹ Faidallah, H.M.² Zayed, M.E.M.³ Ng, S.W.⁴ Tiekink, E.R.T.⁵

46
- 84916913765
- A.M. Asiri, H.M. Faidallah, K.A. Alamry, S.W. Ng, and E.R.T. Tiekink, Acta Crystallogr. E68, o2198 (2012
- (2012) Acta Crystallogr , vol.E68 , pp. o2198
- Asiri, A.M.¹ Faidallah, H.M.² Alamry, K.A.³ Ng, S.W.⁴ Tiekink, E.R.T.⁵

47
- 0000051458
- M. Stäehlin, C.R. Moylan, D.M. Burland, A. Willets, J.E. Rice, D.P. Shelton, and E.A. Donley, J. Chem. Phys. 98, 5595 (1993
- (1993) J. Chem. Phys , vol.98 , pp. 5595
- Stäehlin, M.¹ Moylan, C.R.² Burland, D.M.³ Willets, A.⁴ Rice, J.E.⁵ Shelton, D.P.⁶ Donley, E.A.⁷

48
- 33745797873
- H. Reis, J. Chem. Phys. 125, 014506 (2006
- (2006) J. Chem. Phys , vol.125 , pp. 014506
- Reis, H.¹

49
- 84962439394
- T. Le Bahers, C. Adamo, and I. Ciofini, J. Chem. Theory Comput. 7, 2498 (2011
- (2011) J. Chem. Theory Comput , vol.7 , pp. 2498
- Le Bahers, T.¹ Adamo, C.² Ciofini, I.³

50
- 67749120522
- T. Stein, L. Kronik, and R. Baer, J. Am. Chem. Soc. 131, 2818 (2009
- (2009) J. Am. Chem. Soc , vol.131 , pp. 2818
- Stein, T.¹ Kronik, L.² Baer, R.³

51
- 73649101299
- T. Stein, L. Kronik, andR.Baer, J.Chem. Phys. 131, 244119 (2009
- (2009) J.Chem. Phys , vol.131 , pp. 244119
- Stein, T.¹ Kronik, L.² Baer, R.³

52
- 79955374885
- A. Karolewski, T. Stein, and S. Kümmel, J. Chem. Phys. 134, 151101 (2011
- (2011) J. Chem. Phys , vol.134 , pp. 151101
- Karolewski, A.¹ Stein, T.² Kümmel, S.³

53
- 84867436982
- L. Pandey, C. Doiron, J.S. Sears, and J. Brédas, Phys. Chem. Chem. Phys. 14, 14243 (2012
- (2012) Phys. Chem. Chem. Phys , vol.14 , pp. 14243
- Pandey, L.¹ Doiron, C.² Sears, J.S.³ Brédas, J.⁴

54
- 84897605303
- A.J. Garza, O.I. Osman, G.E. Scuseria, N.A. Wazzan, S.B. Khan, and A.M. Asiri, Theor. Chem. Acc. 133, 1458 (2014
- (2014) Theor. Chem. Acc , vol.133 , pp. 1458
- Garza, A.J.¹ Osman, O.I.² Scuseria, G.E.³ Wazzan, N.A.⁴ Khan, S.B.⁵ Asiri, A.M.⁶

56
- 49149121051
- K.Y. Suponitsky, S. Tafur, and A.E. Masunov, J. Chem. Phys. 129, 044109 (2008
- (2008) J. Chem. Phys , vol.129 , pp. 044109
- Suponitsky, K.Y.¹ Tafur, S.² Masunov, A.E.³

57
- 80052271148
- Semichem Inc., Shawnee Mission, KS
- R. Dennington, T.Keith, and J. Millam, GaussView,Version 5 (Semichem Inc., Shawnee Mission, KS, 2009
- (2009) GaussView, Version 5
- Dennington, R.¹ Keith, T.² Millam, J.³

58
- 84961980477
- J. Tomasi, B. Mennucci, and R. Cammi, Chem. Rev. 105, 2999 (2005
- (2005) Chem. Rev , vol.105 , pp. 2999
- Tomasi, J.¹ Mennucci, B.² Cammi, R.³

59
- 0029274592
- J.L. Brédas, Adv. Mater. 7, 263 (1995
- (1995) Adv. Mater , vol.7 , pp. 263
- Brédas, J.L.¹

60
- 34548662852
- J. Roncali, Macromol. Rapid Commun. 28, 1761 (2007
- (2007) Macromol. Rapid Commun , vol.28 , pp. 1761
- Roncali, J.¹

61
- 33748805997
- Y. Zhao and D.G. Truhlar, J. Phys. Chem. A 110, 10478 (2006
- (2006) J. Phys. Chem , vol.A110 , pp. 10478
- Zhao, Y.¹ Truhlar, D.G.²

62
- 37049009486
- M.J.G. Peach, E.I. Tellgren, P. Salek, T. Helgaker, and D.J. Tozer, J. Phys. Chem. A 111, 11930 (2007
- (2007) J. Phys. Chem , vol.A111 , pp. 11930
- Peach, M.J.G.¹ Tellgren, E.I.² Salek, P.³ Helgaker, T.⁴ Tozer, D.J.⁵

63
- 79951493435
- D. Jacquemin and C. Adamo, J. Chem. Theory Comput. 7, 369 (2007
- (2007) J. Chem. Theory Comput , vol.7 , pp. 369
- Jacquemin, D.¹ Adamo, C.²

64
- 0031701819
- P. Kaatz, E.A. Donley, and D.P. Shelton, J. Chem. Phys. 108, 849 (1997
- (1997) J. Chem. Phys , vol.108 , pp. 849
- Kaatz, P.¹ Donley, E.A.² Shelton, D.P.³

65
- 0001751863
- F. Sim, S. Chin, M. Dupuis, and J.E. Rice, J. Phys. Chem. 97, 1158 (1993
- (1993) J. Phys. Chem , vol.97 , pp. 1158
- Sim, F.¹ Chin, S.² Dupuis, M.³ Rice, J.E.⁴

66
- 84880618282
- A.J. Garza, O.I. Osman, G.E. Scuseria, N.A. Wazzan, S.B. Khan, and A.M. Asiri, Theor. Chem. Acc. 132, 1384 (2013
- (2013) Theor. Chem. Acc , vol.132 , pp. 1384
- Garza, A.J.¹ Osman, O.I.² Scuseria, G.E.³ Wazzan, N.A.⁴ Khan, S.B.⁵ Asiri, A.M.⁶

67
- 84884403114
- A.J. Garza, O.I. Osman, G.E. Scuseria, N.A. Wazzan, S.B. Khan, and A.M. Asiri, Comput. Theor. Chem. 1022, 82 (2013
- (2013) Comput. Theor. Chem , vol.1022 , pp. 82
- Garza, A.J.¹ Osman, O.I.² Scuseria, G.E.³ Wazzan, N.A.⁴ Khan, S.B.⁵ Asiri, A.M.⁶

68
- 84862538599
- A.M. Asiri, S.A. Khan,M.S.Al-Amoudi, and K.A. Alamry, Bull. Korean Chem. Soc. 33, 1900 (2012
- (2012) Bull. Korean Chem. Soc , vol.33 , pp. 1900
- Asiri, A.M.¹ Khan, S.A.² Al-Amoudi, M.S.³ Alamry, K.A.⁴

69
- 0037206416
- K.S. Thanthiriwatte and K.M. Nalin De Silva, Theochem: J. Mol. Struct. 617, 169 (2002
- (2002) Theochem: J. Mol. Struct , vol.617 , pp. 169
- Thanthiriwatte, K.S.¹ Silva De Nalin, K.M.²

70
- 84896833570
- K.J. Chen, A.D. Laurent, and D. Jacquemin, J. Phys. Chem. C 118, 4334 (2014
- (2014) J. Phys. Chem , vol.C118 , pp. 4334
- Chen, K.J.¹ Laurent, A.D.² Jacquemin, D.³

71
- 0001132752
- J.P. Perdew, R.G. Parr, M. Levy, and J.L. Balduz, Phys. Rev. Lett. 49, 1691 (1982
- (1982) Phys. Rev. Lett , vol.49 , pp. 1691
- Perdew, J.P.¹ Parr, R.G.² Levy, M.³ Balduz, J.L.⁴

72
- 0000867894
- L. Kleinman, Phys. Rev. B 56, 12042 (1997
- (1997) Phys. Rev , vol.B56 , pp. 12042
- Kleinman, L.¹

73
- 0000812676
- J.P. Perdew and M. Levy, Phys. Rev. B 56, 16021 (1997
- (1997) Phys. Rev , vol.B56 , pp. 16021
- Perdew, J.P.¹ Levy, M.²

74
- 84884729448
- L. Kleinman, Phys. Rev. B 56, 16029 (1997
- (1997) Phys. Rev , vol.B56 , pp. 16029
- Kleinman, L.¹

75
- 84880011086
- U. Terranova and D.R. Bowler, J. Chem. Theory Comput. 9, 3181 (2013
- (2013) J. Chem. Theory Comput , vol.9 , pp. 3181
- Terranova, U.¹ Bowler, D.R.²

76
- 33845183023
- M.S. Paley and J.M. Harris, J. Org. Chem. 54, 3774 (1989
- (1989) J. Org. Chem , vol.54 , pp. 3774
- Paley, M.S.¹ Harris, J.M.²

77
- 33845280208
- L. Deguan and M.A. Ratner, J. Am. Chem. Soc. 110, 1707 (1988
- (1988) J. Am. Chem. Soc , vol.110 , pp. 1707
- Deguan, L.¹ Ratner, M.A.²

78
- 0034743229
- H. Song, Y. Chem, X. Zheng, and B. Ying, Spectrochim. Acta Part A 57, 1717 (2001
- (2001) Spectrochim. Acta Part A , vol.57 , pp. 1717
- Song, H.¹ Chem, Y.² Zheng, X.³ Ying, B.⁴

79
- 33746217377
- B. Champagne and B. Kirtman, J. Chem. Phys. 125, 024101 (2006
- (2006) J. Chem. Phys , vol.125 , pp. 024101
- Champagne, B.¹ Kirtman, B.²

* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.