SCOPUS 정보 검색 플랫폼

Journal of Chemical Physics

Volumn 114, Issue 24, 2001, Pages 10608-10615

Direct semiclassical simulation of photochemical processes with semiempirical wave functions

(3) Granucci, G a Persico, M a Toniolo, A b

a UNIVERSITY OF PISA (Italy)

b UNIVERSITY OF MILAN (Italy)

Author keywords

[No Author keywords available]

Indexed keywords

ALGORITHMS; CHEMICAL BONDS; COMPUTER SIMULATION; CONTINUUM MECHANICS; EIGENVALUES AND EIGENFUNCTIONS; ELECTRON ENERGY LEVELS; ELECTRON TRANSITIONS; FERMI LEVEL; HAMILTONIANS; INTERPOLATION; QUANTUM THEORY; WAVE EQUATIONS;

POTENTIAL ENERGY SURFACES (PES); VALENCE-BOND (VB) STRUCTURES; WAVE FUNCTIONS;

PHOTOCHEMICAL REACTIONS;

EID: 0035933398 PISSN: 00219606 EISSN: None Source Type: Journal
DOI: 10.1063/1.1376633 Document Type: Article

Times cited : (455)

References (52)

1
- 0004700356
- (1991) J. Chem. Phys. , vol.94 , pp. 5508
- Persico, M.¹ Cacelli, I.² Ferretti, A.³

2
- 0001084545
- (1999) Chem. Phys. Lett. , vol.313 , pp. 332
- Oppel, M.¹ Paramonov, G.K.²

3
- 20644441328
- (2001) J. Comput. Chem. , vol.22 , pp. 968
- Toniolo, A.¹ Persico, M.²

4
- 0000430520
- (1995) J. Am. Chem. Soc. , vol.242 , pp. 27
- Clifford, S.¹ Bearpark, M.J.² Bernardi, F.³ Olivucci, M.⁴ Robb, M.A.⁵ Smith, B.R.⁶

5
- 0006657080
- (1997) Adv. Chem. Phys. , vol.100 , pp. 1
- Domcke, W.¹ Stock, G.²

6
- 0001845333
- Vibronic dynamics of polyatomic molecules
- edited by P. v. R., Schleyer, N. L. Allinger, T. Clark, J. Gasteiger, P. A. Kollman, H. F. Schaefer III, and P. R. Schreiner (Wiley, Chichester)
- (1998) Encyclopedia of Computational Chemistry
- Köppel, H.¹ Domcke, W.²

7
- 0000546910
- (1998) J. Phys. Chem. A , vol.102 , pp. 4100
- Peslherbe, G.H.¹ Ladanyi, B.M.² Hynes, J.T.³

8
- 0033439914
- (1999) Chem. Phys. , vol.246 , pp. 315
- Cattaneo, P.¹ Persico, M.² Tani, A.³

9
- 0000264354
- (2000) J. Phys. Chem. A , vol.104 , pp. 217
- Hack, M.D.¹ Jasper, A.W.² Volobuev, Y.L.³ Schwenke, D.W.⁴ Truhlar, D.G.⁵

10
- 84858993709
- (1993) Adv. Chem. Phys. , vol.84 , pp. 293
- Pacher, T.¹ Cederbaum, L.S.² Köppel, H.³

11
- 0002587740
- Electronic diabatic states: Definition, computation and applications
- edited by P. v. R. Schleyer, N. L. Allinger, T. Clark, J. Gasteiger, P. A. Kollman, H. F. Schaefer III, and P. R. Schreiner (Wiley, Chichester)
- (1998) Encyclopedia of Computational Chemistry , pp. 852
- Persico, M.¹

12
- 0043141259
- (1980) J. Am. Chem. Soc. , vol.102 , pp. 6218
- Warshel, A.¹ Weiss, R.M.²

13
- 4243810035
- (1993) Chem. Rev. , vol.93 , pp. 2523
- Åqvist, J.¹ Warshel, A.²

14
- 33846285015
- (1978) J. Chem. Phys. , vol.68 , pp. 4406
- Leforestier, C.¹

15
- 4243606192
- (1985) Phys. Rev. Lett. , vol.55 , pp. 2471
- Car, R.¹ Parrinello, M.²

16
- 0001680760
- (1997) J. Am. Chem. Soc. , vol.119 , pp. 12687
- Vreven, T.¹ Bernardi, F.² Garavelli, M.³ Olivucci, M.⁴ Robb, M.A.⁵ Schlegel, H.B.⁶

17
- 0033737606
- (2000) J. Phys. Chem. A , vol.104 , pp. 5161
- Ben-Nun, M.¹ Quenneville, J.² Martinez, T.J.³

18
- 0034300232
- (2000) J. Chem. Phys. , vol.113 , pp. 5750
- Kaledin, A.L.¹ Morokuma, K.²

19
- 0012716939
- (1976) Theor. Chim. Acta , vol.42 , pp. 223
- Ridly, J.E.¹ Zerner, M.C.²

20
- 43949168647
- (1993) Spectrochim. Acta, Part A , vol.49 A , pp. 471
- Baraldi, I.¹ Carnevali, A.² Momicchioli, F.³ Ponterini, G.⁴

21
- 0003785604
- Fujitsu Limited, Tokyo, Japan
- (1999) MOPAC 2000
- Stewart, J.J.P.¹

22
- 0031184709
- (1997) Chem. Phys. , vol.219 , pp. 265
- Germain, A.¹ Millié, P.²

23
- 0002639455
- (2000) Chem. Phys. Lett. , vol.325 , pp. 79
- Granucci, G.¹ Toniolo, A.²

24
- 13044304431
- (1990) J. Chem. Phys. , vol.93 , pp. 1061
- Tully, J.C.¹

25
- 84987084487
- (1991) Int. J. Quantum Chem., Symp. , vol.25 , pp. 299
- Tully, J.C.¹

26
- 0000275267
- (1996) J. Chem. Phys. , vol.104 , pp. 5517
- Ferretti, A.¹ Granucci, G.² Lami, A.³ Persico, M.⁴ Villani, G.⁵

27
- 0000761543
- (1997) J. Phys. Chem. A , vol.101 , pp. 3454
- Cattaneo, P.¹ Persico, M.²

28
- 0000106626
- (1999) J. Phys. Chem. A , vol.103 , pp. 6225
- Volobuev, Y.L.¹ Hack, M.D.² Truhlar, D.G.³

29
- 0034666094
- (2000) Chem. Phys. , vol.259 , pp. 193
- Santoro, F.¹ Petrongolo, C.² Granucci, G.³ Persico, M.⁴

30
- 36049055044
- (1969) Phys. Rev. , vol.194 , pp. 672
- Slater, J.¹ Mann, J.B.² Wilson, T.M.³ Wood, J.H.⁴

31
- 0004663607
- (1969) J. Chem. Phys. , vol.50 , pp. 3789
- King, H.F.¹ Stanton, R.E.²

32
- 0001753384
- (1999) J. Chem. Phys. , vol.110 , pp. 695
- Rabuck, A.R.¹ Scuseria, G.E.²

33
- 0004161838
- Cambridge University Press, Cambridge
- (1992) Numerical Recipes in Fortran 77
- Press, W.H.¹ Teukolsky, S.A.² Vetterling, W.T.³ Flannery, B.P.⁴

34
- 0040323749
- (1975) J. Am. Chem. Soc. , vol.97 , pp. 1285
- Bingham, R.C.¹ Dewar, M.J.S.² Lo, D.H.³

35
- 0842341771
- (1985) J. Am. Chem. Soc. , vol.107 , pp. 3902
- Dewar, M.J.S.¹ Zoebisch, E.G.² Healy, E.F.³ Stewart, J.J.P.⁴

36
- 0038762283
- (1996) J. Phys. Chem. , vol.100 , pp. 616
- Thiel, W.¹ Voityuk, A.²

37
- 0004729654
- thesis, University of Pisa
- (2000)
- Inglese, S.¹

38
- 22944467757
- (1967) Phys. Rev. , vol.159 , pp. 98
- Verlet, L.¹

39
- 84906393269
- (1982) Mol. Phys. , vol.45 , pp. 637
- Van Gunsteren, W.F.¹ Berendsen, H.J.C.²

40
- 0001589386
- (1999) J. Phys. Chem. A , vol.103 , pp. 3364
- Cattaneo, P.¹ Granucci, G.² Persico, M.³

41
- 0003142171
- (1976) Chem. Phys. , vol.15 , pp. 49
- Baer, M.¹

42
- 0000118802
- (1990) J. Chem. Phys. , vol.93 , pp. 545
- Gadéa, F.X.¹ Pélissier, M.²

43
- 0000293205
- (1992) J. Chem. Phys. , vol.97 , pp. 7623
- Petsalakis, I.D.¹ Teodorakopoulos, G.² Nicolaides, C.A.³

44
- 0000732252
- (1999) J. Phys. Chem. A , vol.103 , pp. 9399
- Fang, J.-Y.¹ Hammes-Schiffer, S.²

45
- 0001628475
- (1979) J. Am. Chem. Soc. , vol.101 , pp. 6131
- Weiss, R.M.¹ Warshel, A.²

46
- 0000187309
- (1980) J. Am. Chem. Soc. , vol.102 , pp. 7839
- Persico, M.¹

47
- 0002466550
- (1998) Chem. Phys. Lett. , vol.298 , pp. 57
- Ben-Nun, M.¹ Martinez, T.J.²

48
- 0032557348
- (1998) Chem. Phys. Lett. , vol.288 , pp. 518
- Farmanara, P.¹ Stert, V.² Radloff, W.³

49
- 0034225701
- (2000) J. Chem. Phys. , vol.113 , pp. 237
- Mestdagh, J.M.¹ Visticot, J.P.² Elhanine, M.³ Soep, B.⁴

50
- 0001208976
- (1985) J. Chem. Phys. , vol.83 , pp. 2348
- Ohmine, I.¹

51
- 0030290016
- (1996) J. Chem. Phys. , vol.105 , pp. 9007
- Mebel, A.M.¹ Chen, Y.-T.² Lin, S.-H.³

52
- 0004672082
- note

* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.