SCOPUS 정보 검색 플랫폼

Journal of Physical Chemistry A

Volumn 109, Issue 14, 2005, Pages 3187-3200

Excited states of porphyrin isomers and porphycene derivatives: A SAC-CI study

(6) Hasegawa, Jun Ya a Takata, Koji a Miyahara, Tomoo a Neya, Saburo c Frisch, Michael J d Nakatsuji, Hiroshi a,b

a KYOTO UNIVERSITY (Japan)

b KYOTO UNIVERSITY (Japan)

c CHIBA UNIVERSITY (Japan)

d GAUSSIAN INC (United States)

Author keywords

[No Author keywords available]

Indexed keywords

DENSITY FUNCTIONAL THEORY (DFT); EXCITED STATES; PORPHYRIN ISOMERS; TRANSITION MOMENT;

DERIVATIVES; ELECTRON ENERGY LEVELS; ELECTRON TRANSITIONS; ELECTRONIC STRUCTURE; ISOMERS; MOLECULAR STRUCTURE; PROBABILITY DENSITY FUNCTION; SYNTHESIS (CHEMICAL);

PORPHYRINS;

PORPHYCENE; PORPHYRIN;

ARTICLE; CHEMISTRY; ELECTROCHEMISTRY; ISOMERISM; SPECTROSCOPY;

ELECTROCHEMISTRY; ISOMERISM; PORPHYRINS; SPECTRUM ANALYSIS;

EID: 17444372390 PISSN: 10895639 EISSN: None Source Type: Journal
DOI: 10.1021/jp0403801 Document Type: Article

Times cited : (48)

References (68)

1
- 0018820971
- Bettersby, A. R.; Fookes, C. J. R.; Matcham, G. W. J.; McDonald, E. Nature (London) 1980, 285, 17.
- (1980) Nature (London) , vol.285 , pp. 17
- Bettersby, A.R.¹ Fookes, C.J.R.² Matcham, G.W.J.³ McDonald, E.⁴

2
- 0020690082
- Porphyrin photosensitization
- Plenum: New York
- Porphyrin Photosensitization. Advances in Experimental Medicine and Biology 160; Kessel, D., Dougherty, T., Eds.; Plenum: New York, 1983.
- (1983) Advances in Experimental Medicine and Biology , vol.160
- Kessel, D.¹ Dougherty, T.²

3
- 0005903014
- Plenum: New York
- Porphyrins in Tumor Phototherapy; Andreoni, A., Cubeddo, R., Eds.; Plenum: New York, 1984.
- Porphyrins in Tumor Phototherapy , pp. 1984
- Andreoni, A.¹ Cubeddo, R.²

4
- 0000742655
- Vogel, E.; Köcher, M.; Schmickler, H.; Lex, J. Angew. Chem. 1986, 98, 262; Angew. Chem., Int. Ed. Engl. 1986, 25, 257.
- (1986) Angew. Chem. , vol.98 , pp. 262
- Vogel, E.¹ Köcher, M.² Schmickler, H.³ Lex, J.⁴

5
- 0022625125
- Vogel, E.; Köcher, M.; Schmickler, H.; Lex, J. Angew. Chem. 1986, 98, 262; Angew. Chem., Int. Ed. Engl. 1986, 25, 257.
- (1986) Angew. Chem., Int. Ed. Engl. , vol.25 , pp. 257

6
- 0000835163
- Waluk, J.; Müller, M.; Swiderek, P.; Köcher, M.; Vogel, E.; Hohlneicher, G.; Michl, J. J. Am. Chem. Soc. 1991, 113, 5511.
- (1991) J. Am. Chem. Soc. , vol.113 , pp. 5511
- Waluk, J.¹ Müller, M.² Swiderek, P.³ Köcher, M.⁴ Vogel, E.⁵ Hohlneicher, G.⁶ Michl, J.⁷

7
- 0000100569
- Waluk, J.; Michl, J. J. Org. Chem. 1991, 56, 2729.
- (1991) J. Org. Chem. , vol.56 , pp. 2729
- Waluk, J.¹ Michl, J.²

8
- 0009965759
- Sessler, J. L.; Brucker, E. A.; Weghorn, S. J.; Kisters, M.; Schäfer, M.; Lax, J.; Vogel, E. Angew. Chem. 1994, 106, 2402; Angew. Chem., Int. Ed. Engl. 1994, 33, 2308.
- (1994) Angew. Chem. , vol.106 , pp. 2402
- Sessler, J.L.¹ Brucker, E.A.² Weghorn, S.J.³ Kisters, M.⁴ Schäfer, M.⁵ Lax, J.⁶ Vogel, E.⁷

9
- 33748240461
- Sessler, J. L.; Brucker, E. A.; Weghorn, S. J.; Kisters, M.; Schäfer, M.; Lax, J.; Vogel, E. Angew. Chem. 1994, 106, 2402; Angew. Chem., Int. Ed. Engl. 1994, 33, 2308.
- (1994) Angew. Chem., Int. Ed. Engl. , vol.33 , pp. 2308

10
- 0000281064
- Aukauloo, M. A.; Guilard, R. New J. Chem. 1994, 18, 1205.
- (1994) New J. Chem. , vol.18 , pp. 1205
- Aukauloo, M.A.¹ Guilard, R.²

11
- 0000605318
- Callot, H. J.; Rohrer, A.; Tschamber, T.; Mets, B. New J. Chem. 1995, 19, 155.
- (1995) New J. Chem. , vol.19 , pp. 155
- Callot, H.J.¹ Rohrer, A.² Tschamber, T.³ Mets, B.⁴

12
- 0030854239
- Vogel, E.; Bröring, M.; Weghorn, S. J.; Schloz, P.; Deponte, R.; Lex, J.; Schmickler, H.; Schaffner, K.; Braslarsky, S. E.; Müller, M.; Pörting, S.; Fowler, C. J.; Sessler, J. L. Angew. Chem., Int. Ed. Engl. 1997, 36, 1651; Angew. Chem. 1997, 109, 1725.
- (1997) Angew. Chem., Int. Ed. Engl. , vol.36 , pp. 1651
- Vogel, E.¹ Bröring, M.² Weghorn, S.J.³ Schloz, P.⁴ Deponte, R.⁵ Lex, J.⁶ Schmickler, H.⁷ Schaffner, K.⁸ Braslarsky, S.E.⁹ Müller, M.¹⁰ Pörting, S.¹¹ Fowler, C.J.¹² Sessler, J.L.¹³

13
- 0030854239
- Vogel, E.; Bröring, M.; Weghorn, S. J.; Schloz, P.; Deponte, R.; Lex, J.; Schmickler, H.; Schaffner, K.; Braslarsky, S. E.; Müller, M.; Pörting, S.; Fowler, C. J.; Sessler, J. L. Angew. Chem., Int. Ed. Engl. 1997, 36, 1651; Angew. Chem. 1997, 109, 1725.
- (1997) Angew. Chem. , vol.109 , pp. 1725

14
- 0022816930
- Aramendia, P. F.; Redmond. R. W.; Nonell, S.; Schuster, W.; Braslavsky S. E.; Schaffner, K.; Vogel, E. Photochem. Photobiol. 1986, 44, 555.
- (1986) Photochem. Photobiol. , vol.44 , pp. 555
- Aramendia, P.F.¹ Redmond, R.W.² Nonell, S.³ Schuster, W.⁴ Braslavsky, S.E.⁵ Schaffner, K.⁶ Vogel, E.⁷

15
- 3142692503
- Braslavsky S. E.; Müller, M.; Mátire, D. O.; Pörting, S.; Bertolotti, S. G.; Chakravoti, S.; Koç-Weier, G.; Knipp, B.; Schaffner, K. J. Photochem. Photobiol. B 1997, 40, 191.
- (1997) J. Photochem. Photobiol. B , vol.40 , pp. 191
- Braslavsky, S.E.¹ Müller, M.² Mátire, D.O.³ Pörting, S.⁴ Bertolotti, S.G.⁵ Chakravoti, S.⁶ Koç-Weier, G.⁷ Knipp, B.⁸ Schaffner, K.⁹

16
- 0000102035
- Wu, Y.-D.; Chan, K. W. K.; Yip, C.-P.; Vogel, E.; Plattner, D. A.; Houk, K. N. J. Org. Chem. 1997, 62, 9240-9250.
- (1997) J. Org. Chem. , vol.62 , pp. 9240-9250
- Wu, Y.-D.¹ Chan, K.W.K.² Yip, C.-P.³ Vogel, E.⁴ Plattner, D.A.⁵ Houk, K.N.⁶

17
- 0000365172
- Kodowski, P. M.; Zgierski, M. Z.; Baker, J. J. Chem. Phys. 1998, 109, 5905-5913.
- (1998) J. Chem. Phys. , vol.109 , pp. 5905-5913
- Kodowski, P.M.¹ Zgierski, M.Z.² Baker, J.³

18
- 0032351539
- Malsch, K.; Roeb, M.; Karuth, V.; Hohlneiher, G. Chem. Phys. 1998, 227, 331-348.
- (1998) Chem. Phys. , vol.227 , pp. 331-348
- Malsch, K.¹ Roeb, M.² Karuth, V.³ Hohlneiher, G.⁴

19
- 0035921516
- Kay, C. W. M.; Gromadechi, U.; Törring, J. T.; Weber, S. Mol. Phys. 2001, 99, 1413-1420.
- (2001) Mol. Phys. , vol.99 , pp. 1413-1420
- Kay, C.W.M.¹ Gromadechi, U.² Törring, J.T.³ Weber, S.⁴

20
- 33748233563
- Vogel, E.; Bröring, M.; Fink, J.; Rosen, D.; Schmickler, H.; Lex, J.; Chan, K. W. K.; Wu, T.-D.; Plattner, S. A.; Nendel, M.; Houk, K. N. Angew. Chem., Int. Ed. Engl. 1995, 34, 2511-2514.
- (1995) Angew. Chem., Int. Ed. Engl. , vol.34 , pp. 2511-2514
- Vogel, E.¹ Bröring, M.² Fink, J.³ Rosen, D.⁴ Schmickler, H.⁵ Lex, J.⁶ Chan, K.W.K.⁷ Wu, T.-D.⁸ Plattner, S.A.⁹ Nendel, M.¹⁰ Houk, K.N.¹¹

21
- 0347218271
- Dobcowski, J.; Galievsky, V.; Starukhin, A.; Vogel, E.; Waluk, J. J. Phys. Chem. A 1998, 102, 4966-4971.
- (1998) J. Phys. Chem. A , vol.102 , pp. 4966-4971
- Dobcowski, J.¹ Galievsky, V.² Starukhin, A.³ Vogel, E.⁴ Waluk, J.⁵

22
- 0001663911
- Vogel, E. J. Heterocycl. Chem. 1996, 33, 1461.
- (1996) J. Heterocycl. Chem. , vol.33 , pp. 1461
- Vogel, E.¹

23
- 0042813364
- Gouterman, M. J. Mol. Spectrosc. 1961, 6, 138.
- (1961) J. Mol. Spectrosc. , vol.6 , pp. 138
- Gouterman, M.¹

24
- 0001432941
- Free-base porphin: (a) Nakatsuji, H.; Hasegawa, J.; Hada, M. J. Chem. Phys. 1996, 104, 2321. (b) Tokita, Y.; Hasegawa, J.; Nakatsuji, H. J. Phys. Chem. 1998, 102, 1834-1849. Mg-porphin: (c) Hasegawa, J.; Hada, M.; Nonoguchi, M.; Nakatsnji, H. Chem. Phys. Lett. 1996, 250, 159. Free-base tetrazaporphin: (d) Toyota, K.; Hasegawa, J.; Nakatsuji, H. Chem. Phys. Lett. 1996, 250, 437. (e) Free-base phthalocyanine: Toyota, K.; Hasegawa, J.; Nakatsuji, H. J. Phys. Chem. 1997, 101, 446-451. Oxyheme: (f) Nakatsuji, H.; Hasegawa, J.; Ueda, H.; Hada, M. Chem. Phys. Lett. 1996, 250, 379. Carboxyheme: (g) Nakatsuji, H.; Tokita, Y.; Hasegawa, J.; Hada, M. Chem. Phys. Lett. 1996, 256, 220-228. Hemoglobin CO and Horseradish Peroxidase CO: (h) Tokita, Y.; Nakatsuji, H. J. Phys. Chem. B 1997, 101, 3281-3289. Special pair: (i) Hasegawa, J.; Ohkawa, K.; Nakatsuji, H. J. Phys. Chem. 1998, 102, 10410. P450-CO: (j) Miyahara, T.; Tokita, Y.; Nakatsuji H. J. Phys. Chem. B 2001, 105, 7341-7352. Four hemes (c-552, 554, 556, and 559) in the reaction center of Rhodopseudomonas viridis: (k) Ohkawa, K.; Hada, M.; Nakatsuji, H. J. Porphyrins Phthalocyanines 2001, 5, 256-266. (I) Hasegawa, J.; Ozeki, Y.; Ohkawa, K.; Hada, M.; Nakatsuji, H. J. Phys. Chem. B 1998, 102, 1320-1326.
- (1996) J. Chem. Phys. , vol.104 , pp. 2321
- Nakatsuji, H.¹ Hasegawa, J.² Hada, M.³

25
- 0031997484
- Free-base porphin: (a) Nakatsuji, H.; Hasegawa, J.; Hada, M. J. Chem. Phys. 1996, 104, 2321. (b) Tokita, Y.; Hasegawa, J.; Nakatsuji, H. J. Phys. Chem. 1998, 102, 1834-1849. Mg-porphin: (c) Hasegawa, J.; Hada, M.; Nonoguchi, M.; Nakatsnji, H. Chem. Phys. Lett. 1996, 250, 159. Free-base tetrazaporphin: (d) Toyota, K.; Hasegawa, J.; Nakatsuji, H. Chem. Phys. Lett. 1996, 250, 437. (e) Free-base phthalocyanine: Toyota, K.; Hasegawa, J.; Nakatsuji, H. J. Phys. Chem. 1997, 101, 446-451. Oxyheme: (f) Nakatsuji, H.; Hasegawa, J.; Ueda, H.; Hada, M. Chem. Phys. Lett. 1996, 250, 379. Carboxyheme: (g) Nakatsuji, H.; Tokita, Y.; Hasegawa, J.; Hada, M. Chem. Phys. Lett. 1996, 256, 220-228. Hemoglobin CO and Horseradish Peroxidase CO: (h) Tokita, Y.; Nakatsuji, H. J. Phys. Chem. B 1997, 101, 3281-3289. Special pair: (i) Hasegawa, J.; Ohkawa, K.; Nakatsuji, H. J. Phys. Chem. 1998, 102, 10410. P450-CO: (j) Miyahara, T.; Tokita, Y.; Nakatsuji H. J. Phys. Chem. B 2001, 105, 7341-7352. Four hemes (c-552, 554, 556, and 559) in the reaction center of Rhodopseudomonas viridis: (k) Ohkawa, K.; Hada, M.; Nakatsuji, H. J. Porphyrins Phthalocyanines 2001, 5, 256-266. (I) Hasegawa, J.; Ozeki, Y.; Ohkawa, K.; Hada, M.; Nakatsuji, H. J. Phys. Chem. B 1998, 102, 1320-1326.
- (1998) J. Phys. Chem. , vol.102 , pp. 1834-1849
- Tokita, Y.¹ Hasegawa, J.² Nakatsuji, H.³

26
- 0030598472
- Free-base porphin: (a) Nakatsuji, H.; Hasegawa, J.; Hada, M. J. Chem. Phys. 1996, 104, 2321. (b) Tokita, Y.; Hasegawa, J.; Nakatsuji, H. J. Phys. Chem. 1998, 102, 1834-1849. Mg-porphin: (c) Hasegawa, J.; Hada, M.; Nonoguchi, M.; Nakatsnji, H. Chem. Phys. Lett. 1996, 250, 159. Free-base tetrazaporphin: (d) Toyota, K.; Hasegawa, J.; Nakatsuji, H. Chem. Phys. Lett. 1996, 250, 437. (e) Free-base phthalocyanine: Toyota, K.; Hasegawa, J.; Nakatsuji, H. J. Phys. Chem. 1997, 101, 446-451. Oxyheme: (f) Nakatsuji, H.; Hasegawa, J.; Ueda, H.; Hada, M. Chem. Phys. Lett. 1996, 250, 379. Carboxyheme: (g) Nakatsuji, H.; Tokita, Y.; Hasegawa, J.; Hada, M. Chem. Phys. Lett. 1996, 256, 220-228. Hemoglobin CO and Horseradish Peroxidase CO: (h) Tokita, Y.; Nakatsuji, H. J. Phys. Chem. B 1997, 101, 3281-3289. Special pair: (i) Hasegawa, J.; Ohkawa, K.; Nakatsuji, H. J. Phys. Chem. 1998, 102, 10410. P450-CO: (j) Miyahara, T.; Tokita, Y.; Nakatsuji H. J. Phys. Chem. B 2001, 105, 7341-7352. Four hemes (c-552, 554, 556, and 559) in the reaction center of Rhodopseudomonas viridis: (k) Ohkawa, K.; Hada, M.; Nakatsuji, H. J. Porphyrins Phthalocyanines 2001, 5, 256-266. (I) Hasegawa, J.; Ozeki, Y.; Ohkawa, K.; Hada, M.; Nakatsuji, H. J. Phys. Chem. B 1998, 102, 1320-1326.
- (1996) Chem. Phys. Lett. , vol.250 , pp. 159
- Hasegawa, J.¹ Hada, M.² Nonoguchi, M.³ Nakatsnji, H.⁴

27
- 0030574792
- Free-base porphin: (a) Nakatsuji, H.; Hasegawa, J.; Hada, M. J. Chem. Phys. 1996, 104, 2321. (b) Tokita, Y.; Hasegawa, J.; Nakatsuji, H. J. Phys. Chem. 1998, 102, 1834-1849. Mg-porphin: (c) Hasegawa, J.; Hada, M.; Nonoguchi, M.; Nakatsnji, H. Chem. Phys. Lett. 1996, 250, 159. Free-base tetrazaporphin: (d) Toyota, K.; Hasegawa, J.; Nakatsuji, H. Chem. Phys. Lett. 1996, 250, 437. (e) Free-base phthalocyanine: Toyota, K.; Hasegawa, J.; Nakatsuji, H. J. Phys. Chem. 1997, 101, 446-451. Oxyheme: (f) Nakatsuji, H.; Hasegawa, J.; Ueda, H.; Hada, M. Chem. Phys. Lett. 1996, 250, 379. Carboxyheme: (g) Nakatsuji, H.; Tokita, Y.; Hasegawa, J.; Hada, M. Chem. Phys. Lett. 1996, 256, 220-228. Hemoglobin CO and Horseradish Peroxidase CO: (h) Tokita, Y.; Nakatsuji, H. J. Phys. Chem. B 1997, 101, 3281-3289. Special pair: (i) Hasegawa, J.; Ohkawa, K.; Nakatsuji, H. J. Phys. Chem. 1998, 102, 10410. P450-CO: (j) Miyahara, T.; Tokita, Y.; Nakatsuji H. J. Phys. Chem. B 2001, 105, 7341-7352. Four hemes (c-552, 554, 556, and 559) in the reaction center of Rhodopseudomonas viridis: (k) Ohkawa, K.; Hada, M.; Nakatsuji, H. J. Porphyrins Phthalocyanines 2001, 5, 256-266. (I) Hasegawa, J.; Ozeki, Y.; Ohkawa, K.; Hada, M.; Nakatsuji, H. J. Phys. Chem. B 1998, 102, 1320-1326.
- (1996) Chem. Phys. Lett. , vol.250 , pp. 437
- Toyota, K.¹ Hasegawa, J.² Nakatsuji, H.³

28
- 0030836199
- Free-base porphin: (a) Nakatsuji, H.; Hasegawa, J.; Hada, M. J. Chem. Phys. 1996, 104, 2321. (b) Tokita, Y.; Hasegawa, J.; Nakatsuji, H. J. Phys. Chem. 1998, 102, 1834-1849. Mg-porphin: (c) Hasegawa, J.; Hada, M.; Nonoguchi, M.; Nakatsnji, H. Chem. Phys. Lett. 1996, 250, 159. Free-base tetrazaporphin: (d) Toyota, K.; Hasegawa, J.; Nakatsuji, H. Chem. Phys. Lett. 1996, 250, 437. (e) Free-base phthalocyanine: Toyota, K.; Hasegawa, J.; Nakatsuji, H. J. Phys. Chem. 1997, 101, 446-451. Oxyheme: (f) Nakatsuji, H.; Hasegawa, J.; Ueda, H.; Hada, M. Chem. Phys. Lett. 1996, 250, 379. Carboxyheme: (g) Nakatsuji, H.; Tokita, Y.; Hasegawa, J.; Hada, M. Chem. Phys. Lett. 1996, 256, 220-228. Hemoglobin CO and Horseradish Peroxidase CO: (h) Tokita, Y.; Nakatsuji, H. J. Phys. Chem. B 1997, 101, 3281-3289. Special pair: (i) Hasegawa, J.; Ohkawa, K.; Nakatsuji, H. J. Phys. Chem. 1998, 102, 10410. P450-CO: (j) Miyahara, T.; Tokita, Y.; Nakatsuji H. J. Phys. Chem. B 2001, 105, 7341-7352. Four hemes (c-552, 554, 556, and 559) in the reaction center of Rhodopseudomonas viridis: (k) Ohkawa, K.; Hada, M.; Nakatsuji, H. J. Porphyrins Phthalocyanines 2001, 5, 256-266. (I) Hasegawa, J.; Ozeki, Y.; Ohkawa, K.; Hada, M.; Nakatsuji, H. J. Phys. Chem. B 1998, 102, 1320-1326.
- (1997) J. Phys. Chem. , vol.101 , pp. 446-451
- Toyota, K.¹ Hasegawa, J.² Nakatsuji, H.³

29
- 0030101249
- Free-base porphin: (a) Nakatsuji, H.; Hasegawa, J.; Hada, M. J. Chem. Phys. 1996, 104, 2321. (b) Tokita, Y.; Hasegawa, J.; Nakatsuji, H. J. Phys. Chem. 1998, 102, 1834-1849. Mg-porphin: (c) Hasegawa, J.; Hada, M.; Nonoguchi, M.; Nakatsnji, H. Chem. Phys. Lett. 1996, 250, 159. Free-base tetrazaporphin: (d) Toyota, K.; Hasegawa, J.; Nakatsuji, H. Chem. Phys. Lett. 1996, 250, 437. (e) Free-base phthalocyanine: Toyota, K.; Hasegawa, J.; Nakatsuji, H. J. Phys. Chem. 1997, 101, 446-451. Oxyheme: (f) Nakatsuji, H.; Hasegawa, J.; Ueda, H.; Hada, M. Chem. Phys. Lett. 1996, 250, 379. Carboxyheme: (g) Nakatsuji, H.; Tokita, Y.; Hasegawa, J.; Hada, M. Chem. Phys. Lett. 1996, 256, 220-228. Hemoglobin CO and Horseradish Peroxidase CO: (h) Tokita, Y.; Nakatsuji, H. J. Phys. Chem. B 1997, 101, 3281-3289. Special pair: (i) Hasegawa, J.; Ohkawa, K.; Nakatsuji, H. J. Phys. Chem. 1998, 102, 10410. P450-CO: (j) Miyahara, T.; Tokita, Y.; Nakatsuji H. J. Phys. Chem. B 2001, 105, 7341-7352. Four hemes (c-552, 554, 556, and 559) in the reaction center of Rhodopseudomonas viridis: (k) Ohkawa, K.; Hada, M.; Nakatsuji, H. J. Porphyrins Phthalocyanines 2001, 5, 256-266. (I) Hasegawa, J.; Ozeki, Y.; Ohkawa, K.; Hada, M.; Nakatsuji, H. J. Phys. Chem. B 1998, 102, 1320-1326.
- (1996) Chem. Phys. Lett. , vol.250 , pp. 379
- Nakatsuji, H.¹ Hasegawa, J.² Ueda, H.³ Hada, M.⁴

30
- 0030170914
- Free-base porphin: (a) Nakatsuji, H.; Hasegawa, J.; Hada, M. J. Chem. Phys. 1996, 104, 2321. (b) Tokita, Y.; Hasegawa, J.; Nakatsuji, H. J. Phys. Chem. 1998, 102, 1834-1849. Mg-porphin: (c) Hasegawa, J.; Hada, M.; Nonoguchi, M.; Nakatsnji, H. Chem. Phys. Lett. 1996, 250, 159. Free-base tetrazaporphin: (d) Toyota, K.; Hasegawa, J.; Nakatsuji, H. Chem. Phys. Lett. 1996, 250, 437. (e) Free-base phthalocyanine: Toyota, K.; Hasegawa, J.; Nakatsuji, H. J. Phys. Chem. 1997, 101, 446-451. Oxyheme: (f) Nakatsuji, H.; Hasegawa, J.; Ueda, H.; Hada, M. Chem. Phys. Lett. 1996, 250, 379. Carboxyheme: (g) Nakatsuji, H.; Tokita, Y.; Hasegawa, J.; Hada, M. Chem. Phys. Lett. 1996, 256, 220-228. Hemoglobin CO and Horseradish Peroxidase CO: (h) Tokita, Y.; Nakatsuji, H. J. Phys. Chem. B 1997, 101, 3281-3289. Special pair: (i) Hasegawa, J.; Ohkawa, K.; Nakatsuji, H. J. Phys. Chem. 1998, 102, 10410. P450-CO: (j) Miyahara, T.; Tokita, Y.; Nakatsuji H. J. Phys. Chem. B 2001, 105, 7341-7352. Four hemes (c-552, 554, 556, and 559) in the reaction center of Rhodopseudomonas viridis: (k) Ohkawa, K.; Hada, M.; Nakatsuji, H. J. Porphyrins Phthalocyanines 2001, 5, 256-266. (I) Hasegawa, J.; Ozeki, Y.; Ohkawa, K.; Hada, M.; Nakatsuji, H. J. Phys. Chem. B 1998, 102, 1320-1326.
- (1996) Chem. Phys. Lett. , vol.256 , pp. 220-228
- Nakatsuji, H.¹ Tokita, Y.² Hasegawa, J.³ Hada, M.⁴

31
- 0001066723
- Free-base porphin: (a) Nakatsuji, H.; Hasegawa, J.; Hada, M. J. Chem. Phys. 1996, 104, 2321. (b) Tokita, Y.; Hasegawa, J.; Nakatsuji, H. J. Phys. Chem. 1998, 102, 1834-1849. Mg-porphin: (c) Hasegawa, J.; Hada, M.; Nonoguchi, M.; Nakatsnji, H. Chem. Phys. Lett. 1996, 250, 159. Free-base tetrazaporphin: (d) Toyota, K.; Hasegawa, J.; Nakatsuji, H. Chem. Phys. Lett. 1996, 250, 437. (e) Free-base phthalocyanine: Toyota, K.; Hasegawa, J.; Nakatsuji, H. J. Phys. Chem. 1997, 101, 446-451. Oxyheme: (f) Nakatsuji, H.; Hasegawa, J.; Ueda, H.; Hada, M. Chem. Phys. Lett. 1996, 250, 379. Carboxyheme: (g) Nakatsuji, H.; Tokita, Y.; Hasegawa, J.; Hada, M. Chem. Phys. Lett. 1996, 256, 220-228. Hemoglobin CO and Horseradish Peroxidase CO: (h) Tokita, Y.; Nakatsuji, H. J. Phys. Chem. B 1997, 101, 3281-3289. Special pair: (i) Hasegawa, J.; Ohkawa, K.; Nakatsuji, H. J. Phys. Chem. 1998, 102, 10410. P450-CO: (j) Miyahara, T.; Tokita, Y.; Nakatsuji H. J. Phys. Chem. B 2001, 105, 7341-7352. Four hemes (c-552, 554, 556, and 559) in the reaction center of Rhodopseudomonas viridis: (k) Ohkawa, K.; Hada, M.; Nakatsuji, H. J. Porphyrins Phthalocyanines 2001, 5, 256-266. (I) Hasegawa, J.; Ozeki, Y.; Ohkawa, K.; Hada, M.; Nakatsuji, H. J. Phys. Chem. B 1998, 102, 1320-1326.
- (1997) J. Phys. Chem. B , vol.101 , pp. 3281-3289
- Tokita, Y.¹ Nakatsuji, H.²

32
- 0000646009
- Free-base porphin: (a) Nakatsuji, H.; Hasegawa, J.; Hada, M. J. Chem. Phys. 1996, 104, 2321. (b) Tokita, Y.; Hasegawa, J.; Nakatsuji, H. J. Phys. Chem. 1998, 102, 1834-1849. Mg-porphin: (c) Hasegawa, J.; Hada, M.; Nonoguchi, M.; Nakatsnji, H. Chem. Phys. Lett. 1996, 250, 159. Free-base tetrazaporphin: (d) Toyota, K.; Hasegawa, J.; Nakatsuji, H. Chem. Phys. Lett. 1996, 250, 437. (e) Free-base phthalocyanine: Toyota, K.; Hasegawa, J.; Nakatsuji, H. J. Phys. Chem. 1997, 101, 446-451. Oxyheme: (f) Nakatsuji, H.; Hasegawa, J.; Ueda, H.; Hada, M. Chem. Phys. Lett. 1996, 250, 379. Carboxyheme: (g) Nakatsuji, H.; Tokita, Y.; Hasegawa, J.; Hada, M. Chem. Phys. Lett. 1996, 256, 220-228. Hemoglobin CO and Horseradish Peroxidase CO: (h) Tokita, Y.; Nakatsuji, H. J. Phys. Chem. B 1997, 101, 3281-3289. Special pair: (i) Hasegawa, J.; Ohkawa, K.; Nakatsuji, H. J. Phys. Chem. 1998, 102, 10410. P450-CO: (j) Miyahara, T.; Tokita, Y.; Nakatsuji H. J. Phys. Chem. B 2001, 105, 7341-7352. Four hemes (c-552, 554, 556, and 559) in the reaction center of Rhodopseudomonas viridis: (k) Ohkawa, K.; Hada, M.; Nakatsuji, H. J. Porphyrins Phthalocyanines 2001, 5, 256-266. (I) Hasegawa, J.; Ozeki, Y.; Ohkawa, K.; Hada, M.; Nakatsuji, H. J. Phys. Chem. B 1998, 102, 1320-1326.
- (1998) J. Phys. Chem. , vol.102 , pp. 10410
- Hasegawa, J.¹ Ohkawa, K.² Nakatsuji, H.³

33
- 0035797728
- Free-base porphin: (a) Nakatsuji, H.; Hasegawa, J.; Hada, M. J. Chem. Phys. 1996, 104, 2321. (b) Tokita, Y.; Hasegawa, J.; Nakatsuji, H. J. Phys. Chem. 1998, 102, 1834-1849. Mg-porphin: (c) Hasegawa, J.; Hada, M.; Nonoguchi, M.; Nakatsnji, H. Chem. Phys. Lett. 1996, 250, 159. Free-base tetrazaporphin: (d) Toyota, K.; Hasegawa, J.; Nakatsuji, H. Chem. Phys. Lett. 1996, 250, 437. (e) Free-base phthalocyanine: Toyota, K.; Hasegawa, J.; Nakatsuji, H. J. Phys. Chem. 1997, 101, 446-451. Oxyheme: (f) Nakatsuji, H.; Hasegawa, J.; Ueda, H.; Hada, M. Chem. Phys. Lett. 1996, 250, 379. Carboxyheme: (g) Nakatsuji, H.; Tokita, Y.; Hasegawa, J.; Hada, M. Chem. Phys. Lett. 1996, 256, 220-228. Hemoglobin CO and Horseradish Peroxidase CO: (h) Tokita, Y.; Nakatsuji, H. J. Phys. Chem. B 1997, 101, 3281-3289. Special pair: (i) Hasegawa, J.; Ohkawa, K.; Nakatsuji, H. J. Phys. Chem. 1998, 102, 10410. P450-CO: (j) Miyahara, T.; Tokita, Y.; Nakatsuji H. J. Phys. Chem. B 2001, 105, 7341-7352. Four hemes (c-552, 554, 556, and 559) in the reaction center of Rhodopseudomonas viridis: (k) Ohkawa, K.; Hada, M.; Nakatsuji, H. J. Porphyrins Phthalocyanines 2001, 5, 256-266. (I) Hasegawa, J.; Ozeki, Y.; Ohkawa, K.; Hada, M.; Nakatsuji, H. J. Phys. Chem. B 1998, 102, 1320-1326.
- (2001) J. Phys. Chem. B , vol.105 , pp. 7341-7352
- Miyahara, T.¹ Tokita, Y.² Nakatsuji, H.³

34
- 0035107644
- Four hemes (c-552, 554, 556, and 559) in the reaction center of Rhodopseudomonas viridis: (k)
- Free-base porphin: (a) Nakatsuji, H.; Hasegawa, J.; Hada, M. J. Chem. Phys. 1996, 104, 2321. (b) Tokita, Y.; Hasegawa, J.; Nakatsuji, H. J. Phys. Chem. 1998, 102, 1834-1849. Mg-porphin: (c) Hasegawa, J.; Hada, M.; Nonoguchi, M.; Nakatsnji, H. Chem. Phys. Lett. 1996, 250, 159. Free-base tetrazaporphin: (d) Toyota, K.; Hasegawa, J.; Nakatsuji, H. Chem. Phys. Lett. 1996, 250, 437. (e) Free-base phthalocyanine: Toyota, K.; Hasegawa, J.; Nakatsuji, H. J. Phys. Chem. 1997, 101, 446-451. Oxyheme: (f) Nakatsuji, H.; Hasegawa, J.; Ueda, H.; Hada, M. Chem. Phys. Lett. 1996, 250, 379. Carboxyheme: (g) Nakatsuji, H.; Tokita, Y.; Hasegawa, J.; Hada, M. Chem. Phys. Lett. 1996, 256, 220-228. Hemoglobin CO and Horseradish Peroxidase CO: (h) Tokita, Y.; Nakatsuji, H. J. Phys. Chem. B 1997, 101, 3281-3289. Special pair: (i) Hasegawa, J.; Ohkawa, K.; Nakatsuji, H. J. Phys. Chem. 1998, 102, 10410. P450-CO: (j) Miyahara, T.; Tokita, Y.; Nakatsuji H. J. Phys. Chem. B 2001, 105, 7341-7352. Four hemes (c-552, 554, 556, and 559) in the reaction center of Rhodopseudomonas viridis: (k) Ohkawa, K.; Hada, M.; Nakatsuji, H. J. Porphyrins Phthalocyanines 2001, 5, 256-266. (I) Hasegawa, J.; Ozeki, Y.; Ohkawa, K.; Hada, M.; Nakatsuji, H. J. Phys. Chem. B 1998, 102, 1320-1326.
- (2001) J. Porphyrins Phthalocyanines , vol.5 , pp. 256-266
- Ohkawa, K.¹ Hada, M.² Nakatsuji, H.³

35
- 0031997484
- Free-base porphin: (a) Nakatsuji, H.; Hasegawa, J.; Hada, M. J. Chem. Phys. 1996, 104, 2321. (b) Tokita, Y.; Hasegawa, J.; Nakatsuji, H. J. Phys. Chem. 1998, 102, 1834-1849. Mg-porphin: (c) Hasegawa, J.; Hada, M.; Nonoguchi, M.; Nakatsnji, H. Chem. Phys. Lett. 1996, 250, 159. Free-base tetrazaporphin: (d) Toyota, K.; Hasegawa, J.; Nakatsuji, H. Chem. Phys. Lett. 1996, 250, 437. (e) Free-base phthalocyanine: Toyota, K.; Hasegawa, J.; Nakatsuji, H. J. Phys. Chem. 1997, 101, 446-451. Oxyheme: (f) Nakatsuji, H.; Hasegawa, J.; Ueda, H.; Hada, M. Chem. Phys. Lett. 1996, 250, 379. Carboxyheme: (g) Nakatsuji, H.; Tokita, Y.; Hasegawa, J.; Hada, M. Chem. Phys. Lett. 1996, 256, 220-228. Hemoglobin CO and Horseradish Peroxidase CO: (h) Tokita, Y.; Nakatsuji, H. J. Phys. Chem. B 1997, 101, 3281-3289. Special pair: (i) Hasegawa, J.; Ohkawa, K.; Nakatsuji, H. J. Phys. Chem. 1998, 102, 10410. P450-CO: (j) Miyahara, T.; Tokita, Y.; Nakatsuji H. J. Phys. Chem. B 2001, 105, 7341-7352. Four hemes (c-552, 554, 556, and 559) in the reaction center of Rhodopseudomonas viridis: (k) Ohkawa, K.; Hada, M.; Nakatsuji, H. J. Porphyrins Phthalocyanines 2001, 5, 256-266. (I) Hasegawa, J.; Ozeki, Y.; Ohkawa, K.; Hada, M.; Nakatsuji, H. J. Phys. Chem. B 1998, 102, 1320-1326.
- (1998) J. Phys. Chem. B , vol.102 , pp. 1320-1326
- Hasegawa, J.¹ Ozeki, Y.² Ohkawa, K.³ Hada, M.⁴ Nakatsuji, H.⁵

36
- 0003127575
- Petke, J. D.; Maggiora, G. M.; Shipman, L. L. Christoffersen, R. J. Mol. Spectrosc. 1987, 71, 64-84.
- (1987) J. Mol. Spectrosc. , vol.71 , pp. 64-84
- Petke, J.D.¹ Maggiora, G.M.² Shipman, L.L.³ Christoffersen, R.⁴

37
- 36749111718
- Nakalsuji, H.; Hirao, K. J. Chem. Phys. 1978, 68, 2053.
- (1978) J. Chem. Phys. , vol.68 , pp. 2053
- Nakalsuji, H.¹ Hirao, K.²

38
- 24244434365
- Nakatsuji, H. Chem. Phys. Lett. 1978, 59, 362; 1989, 67, 329; 1989, 67, 334.
- (1978) Chem. Phys. Lett. , vol.59 , pp. 362
- Nakatsuji, H.¹

39
- 24244434365
- Nakatsuji, H. Chem. Phys. Lett. 1978, 59, 362; 1989, 67, 329; 1989, 67, 334.
- (1989) Chem. Phys. Lett. , vol.67 , pp. 329

40
- 24244434365
- Nakatsuji, H. Chem. Phys. Lett. 1978, 59, 362; 1989, 67, 329; 1989, 67, 334.
- (1989) Chem. Phys. Lett. , vol.67 , pp. 334

41
- 0002283055
- Leszczynski, J., Ed.; World Scientific: Singapore
- Nakatsuji, H. In Computational Chemistry, Reviews of Current Trends; Leszczynski, J., Ed.; World Scientific: Singapore, 1996; Vol. 2, pp 62-124.
- (1996) Computational Chemistry, Reviews of Current Trends , vol.2 , pp. 62-124
- Nakatsuji, H.¹

42
- 0000757841
- Linstead, R. P.; Whalley, M. J. Chem Soc. 1952, 4839.
- (1952) J. Chem Soc. , pp. 4839
- Linstead, R.P.¹ Whalley, M.²

43
- 0004151815
- CRC Press
- Thomas, A. L. Phthalocyanine Research and Applications; CRC Press: 1990.
- (1990) Phthalocyanine Research and Applications
- Thomas, A.L.¹

44
- 10644250257
- (a) Hohenberg, P.; Kohn. W. Phys. Rev. 1964, 136, B864.
- (1964) Phys. Rev. , vol.136
- Hohenberg, P.¹ Kohn, W.²

45
- 0042113153
- (b) Kohn, W.; Sham, L. J. Phys. Rev. 1965, A1133.
- (1965) J. Phys. Rev.
- Kohn, W.¹ Sham, L.²

46
- 0004101311
- ACS: Washington, DC
- (c) The Challenge of d and f Electrons; Salahub, D. R., Zerner, M. C., Eds.; ACS: Washington, DC, 1989.
- (1989) The Challenge of D and F Electrons
- Salahub, D.R.¹ Zerner, M.C.²

47
- 0003569570
- Oxford University Press: Oxford
- (d) Parr, R. G.; Yang, W. 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

48
- 0345491105
- (a) Lee, C.; Yang, W.; Parr, R. G. Phys. Rev. 1988, 37, 785.
- (1988) Phys. Rev. , vol.37 , pp. 785
- Lee, C.¹ Yang, W.² Parr, R.G.³

49
- 0000189651
- (b) Becke, A. D. J. Chem. Phys. 1993, 98, 5648.
- (1993) J. Chem. Phys. , vol.98 , pp. 5648
- Becke, A.D.¹

50
- 0002961905
- Wu, Y.-D.; Chan, K. W. K. J. Mol. Struct. (THEOCHEM) 1997, 398-399, 325-332.
- (1997) J. Mol. Struct. (THEOCHEM) , vol.398-399 , pp. 325-332
- Wu, Y.-D.¹ Chan, K.W.K.²

51
- 0003718311
- Elsevier: New York
- Huzinaga, S.; Andzelm, J.; Krovkowski, M.; Radzio-Andzelm, E.; Sakai, Y.; Tatewaki, H. Gaussian basis set for molecular calculation; Elsevier: New York, 1984.
- (1984) Gaussian Basis Set for Molecular Calculation
- Huzinaga, S.¹ Andzelm, J.² Krovkowski, M.³ Radzio-Andzelm, E.⁴ Sakai, Y.⁵ Tatewaki, H.⁶

52
- 36849140788
- Huzinaga, S. J. Chem. Phys. 1965, 42, 1293.
- (1965) J. Chem. Phys. , vol.42 , pp. 1293
- Huzinaga, S.¹

53
- 0347170005
- Hehre, W. J.; Ditchfield, R.; Pople, J. A. J. Chem. Phys. 1972, 56, 2257.
- (1972) J. Chem. Phys. , vol.56 , pp. 2257
- Hehre, W.J.¹ Ditchfield, R.² Pople, J.A.³

54
- 33748545144
- Hariharan, P. C.; Pople, J. A. Theor. Chim. Acta 1973, 28, 213.
- (1973) Theor. Chim. Acta , vol.28 , pp. 213
- Hariharan, P.C.¹ Pople, J.A.²

55
- 0000515172
- Nakatsuji, H. Chem. Phys. 1983, 75, 425.
- (1983) Chem. Phys. , vol.75 , pp. 425
- Nakatsuji, H.¹

56
- 35348906888
- Dunning, T. H., Jr. J. Chem. Phys. 1971, 55, 716.
- (1971) J. Chem. Phys. , vol.55 , pp. 716
- Dunning Jr., T.H.¹

57
- 84961981991
- Cancés, M. T.; Mennucci, B.; Tomasi, J. J. Chem. Phys. 1997, 107, 3210.
- (1997) J. Chem. Phys. , vol.107 , pp. 3210
- Cancés, M.T.¹ Mennucci, B.² Tomasi, J.³

58
- 0141704726
- Gaussian, Inc.: Pittsburgh, PA
- Frisch, M. J.; Trucks, G. W.; Schlegel, H. B.; Scuseria, G. E.; Robb, M. A.; Cheeseman, J. R.; Montgomery, J. A., Jr.; Vreven, T.; Kudin, K. N.; Burant, J. C.; Millam, J. M.; Iyengar, S. S.; Tomasi, J.; Barone, V.; Mennucci, B.; Cossi, M.; Scalmani, G.; Rega, N.; Petersson, G. A.; Nakatsuji, H.; Hada, M.; Ehara, M.; Toyota, K.; Fukuda, R.; Hasegawa, J.; Ishida, M.; Nakajima, T.; Honda, Y.; Kitao, O.; Nakai, H.; Klene, M.; Li, X.; Knox, J. E.; Hratchian, H. P.; Cross, J. B.; Adamo, C.; Jaramillo, J.; Gomperts, R.; Stratmann, R. E.; Yazyev, O.; Austin, A. J.; Cammi, R.; Pomelli, C.; Ochterski, J. W.; Ayala, P. Y.; Morokuma, K.; Voth, G. A.; Salvador, P.; Dannenberg, J. J.; Zakrzewski, V. G.; Dapprich, S.; Daniels, A. D.; Strain, M. C.; Farkas, O.; Malick, D. K.; Rabuck, A. D.; Raghavachan, K.; Foresman, J. B.; Ortiz, J. V.; Cui, Q.; Baboul, A. G.; Clifford, S.; Cioslowski, J.; Stefanov, B. B.; Liu, G.; Liashenko, A.; Piskorz, P.; Komaromi, I.; Martin, R. L.; Fox, D. J.; Keith, T.; Al-Laham, M. A.; Peng, C. Y.; Nanayakkara, A.; Challacombe, M.; Gill, P. M. W.; Johnson, B.; Chen, W.; Wong, M. W.; Gonzalez, C.; Pople, J. A. Gaussian 03, revision B.01; Gaussian, Inc.: Pittsburgh, PA, 2003.
- (2003) Gaussian 03, Revision B.01
- Frisch, M.J.¹ Trucks, G.W.² Schlegel, H.B.³ Scuseria, G.E.⁴ Robb, M.A.⁵ Cheeseman, J.R.⁶ Montgomery Jr., J.A.⁷ Vreven, T.⁸ Kudin, K.N.⁹ Burant, J.C.¹⁰ Millam, J.M.¹¹ Iyengar, S.S.¹² Tomasi, J.¹³ Barone, V.¹⁴ Mennucci, B.¹⁵ Cossi, M.¹⁶ Scalmani, G.¹⁷ Rega, N.¹⁸ Petersson, G.A.¹⁹ Nakatsuji, H.²⁰ more..

59
- 0033963034
- Molden: A pre- And postprocessing program for molecular and electronic structures
- Schaftenaar, G.; Noordik, J. H. Molden: a pre- and postprocessing program for molecular and electronic structures. 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

60
- 0000636259
- Free-base porphin: (a) Nagashima, U.; Takada, T.; Ohno, K. J. Chem. Phys. 1986, 85, 4524. (b) Yamamoto, Y.; Noro, T.; Ohno, K. Int. J. Quantum Chem. 1992, 42, 1563.
- (1986) J. Chem. Phys. , vol.85 , pp. 4524
- Nagashima, U.¹ Takada, T.² Ohno, K.³

61
- 84990679366
- Free-base porphin: (a) Nagashima, U.; Takada, T.; Ohno, K. J. Chem. Phys. 1986, 85, 4524. (b) Yamamoto, Y.; Noro, T.; Ohno, K. Int. J. Quantum Chem. 1992, 42, 1563.
- (1992) Int. J. Quantum Chem. , vol.42 , pp. 1563
- Yamamoto, Y.¹ Noro, T.² Ohno, K.³

62
- 0032500484
- Free-base porphin: (a) Serrano-Andrés, L.; Merchán, M.; Rubio, M.; Roos, B. O. Chem. Phys. Lett. 1998, 295, 195-203. (b) Merchán, M.; Ortí, E.; Roos, B. O. Chem. Phys. Lett. 1994, 226, 27. Mg-porphin: Rubio, M.; Roos, B. O.; Serrano-Andrés, L.; Merchán, M. J. Chem. Phys. 1999, 110, 7202-7209.
- (1998) Chem. Phys. Lett. , vol.295 , pp. 195-203
- Serrano-Andrés, L.¹ Merchán, M.² Rubio, M.³ Roos, B.O.⁴

63
- 0002396193
- Free-base porphin: (a) Serrano-Andrés, L.; Merchán, M.; Rubio, M.; Roos, B. O. Chem. Phys. Lett. 1998, 295, 195-203. (b) Merchán, M.; Ortí, E.; Roos, B. O. Chem. Phys. Lett. 1994, 226, 27. Mg-porphin: Rubio, M.; Roos, B. O.; Serrano-Andrés, L.; Merchán, M. J. Chem. Phys. 1999, 110, 7202-7209.
- (1994) Chem. Phys. Lett. , vol.226 , pp. 27
- Merchán, M.¹ Ortí, E.² Roos, B.O.³

64
- 0000590021
- Free-base porphin: (a) Serrano-Andrés, L.; Merchán, M.; Rubio, M.; Roos, B. O. Chem. Phys. Lett. 1998, 295, 195-203. (b) Merchán, M.; Ortí, E.; Roos, B. O. Chem. Phys. Lett. 1994, 226, 27. Mg-porphin: Rubio, M.; Roos, B. O.; Serrano-Andrés, L.; Merchán, M. J. Chem. Phys. 1999, 110, 7202-7209.
- (1999) J. Chem. Phys. , vol.110 , pp. 7202-7209
- Rubio, M.¹ Roos, B.O.² Serrano-Andrés, L.³ Merchán, M.⁴

65
- 2342477458
- Free-base porphin: (a) Nooijen, M.; Bartlett, R. J. J. Chem. Phys. 1997, 106, 6449. (b) Gwaltney, S. R.; Bartlett, R. J. J. Chem. Phys. 1998, 108, 6790.
- (1997) J. Chem. Phys. , vol.106 , pp. 6449
- Nooijen, M.¹ Bartlett, R.J.²

66
- 0001217483
- Free-base porphin: (a) Nooijen, M.; Bartlett, R. J. J. Chem. Phys. 1997, 106, 6449. (b) Gwaltney, S. R.; Bartlett, R. J. J. Chem. Phys. 1998, 108, 6790.
- (1998) J. Chem. Phys. , vol.108 , pp. 6790
- Gwaltney, S.R.¹ Bartlett, R.J.²

67
- 0002972926
- Edwards, L.; Dolphin, D. H.; Gouterman, M.; Adler, A. D. J. Mol. Spectrosc. 1971, 38, 16.
- (1971) J. Mol. Spectrosc. , vol.38 , pp. 16
- Edwards, L.¹ Dolphin, D.H.² Gouterman, M.³ Adler, A.D.⁴

68
- 0001284796
- Zandler, M. E.; D'Souza, F. J. Mol. Struct. (THEOCHEM) 1997, 401, 301-314.
- (1997) J. Mol. Struct. (THEOCHEM) , vol.401 , pp. 301-314
- Zandler, M.E.¹ D'Souza, F.²

* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.