SCOPUS 정보 검색 플랫폼

Crystal Engineering

Volumn 6, Issue 4 SPEC. ISS., 2003, Pages 263-286

An ab initio study of the properties of some hydride dimers

(3) Govender, M G a,b Rootman, S M a Ford, T A a

a UNIVERSITY OF KWAZULU NATAL (South Africa)

b Sasol Synfuels (South Africa)

Author keywords

Ab initio calculations; Covalent hydrides; Dimerization energies; Molecular complexes; Vibrational spectra

Indexed keywords

ALGORITHMS; AMMONIA; CALCULATIONS; COMPUTER PROGRAMMING; ERROR ANALYSIS; HYDROGEN BONDS; LITHIUM; METALLOIDS; OPTIMIZATION; STABILIZATION;

AB INITIO CALCULATIONS; COVALENT HYDRIDES; DIMERIZATION ENERGIES; MOLECULAR COMPLEXES; VIBRATIONAL SPECTRA;

HYDRIDES;

EID: 4344590923 PISSN: 14630184 EISSN: None Source Type: Journal
DOI: 10.1016/j.cryseng.2004.04.004 Document Type: Article

Times cited : (5)

References (344)

1
- 4344679781
- in press
- M.G. Govender, T. Govender, J.H. Rostance, S.M. Rootman, T.A. Ford, S. Afr. J. Chem. (in press).
- S. Afr. J. Chem.
- Govender, M.G.¹ Govender, T.² Rostance, J.H.³ Rootman, S.M.⁴ Ford, T.A.⁵

2
- 0037493112
- Govender M.G., Ford T.A. J. Mol. Struct. (Theochem.). 630:2003;11.
- (2003) J. Mol. Struct. (Theochem.) , vol.630 , pp. 11
- Govender, M.G.¹ Ford, T.A.²

3
- 0004133516
- Gaussian, Inc., Pittsburgh, PA
- Gaussian-98, Rev. A.7, M.J. Frisch, G.W. Trucks, H.B. Schlegel, G.E. Scuseria, M.A. Robb, J.R. Cheeseman, V.G. Zakrzewski, J.A. Montgomery, jr., R.E. Stratmann, J.C. Burant, S. Dapprich, J.M. Millam, A.D. Daniels, K.N. Kudin, M.C. Strain, O. Farkas, J. Tomasi, V. Barone, M. Cossi, R. Cammi, B. Mennucci, C. Pomelli, C. Adamo, S. Clifford, J. Ochterski, G. A. Petersson, P.Y. Ayala, Q. Cui, K. Morokuma, D.K. Malick, A.D. Rabuck, K. Raghavachari, J.B. Foresman, J. Cioslowski, J.V. Ortiz, A.G. Baboul, B.B. Stefanov, G. Liu, A. Liashenko, P. Piskorz, I. Komaromi, R. Gomperts, R.L. Martin, D.J. Fox, T. Keith, M.A. Al-Laham, C.Y. Peng, A. Nanayakkara, C. Gonzalez, M. Challacombe, P.M.W. Gill, B. Johnson, W. Chen, M.W. Wong, J.L. Andres, M. Head-Gordon, E.S. Replogle, J.A. Pople, Gaussian, Inc., Pittsburgh, PA, 1998.
- (1998) Gaussian-98, Rev. A.7
- Frisch, M.J.¹ Trucks, G.W.² Schlegel, H.B.³ Scuseria, G.E.⁴ Robb, M.A.⁵ Cheeseman, J.R.⁶ Zakrzewski, V.G.⁷ Montgomery Jr., J.A.⁸ Stratmann, R.E.⁹ Burant, J.C.¹⁰ Dapprich, S.¹¹ Millam, J.M.¹² Daniels, A.D.¹³ Kudin, K.N.¹⁴ Strain, M.C.¹⁵ Farkas, O.¹⁶ Tomasi, J.¹⁷ Barone, V.¹⁸ Cossi, M.¹⁹ Cammi, R.²⁰ more..

4
- 6944251055
- Møller C., Plesset M.S. Phys. Rev. 46:1934;618.
- (1934) Phys. Rev. , vol.46 , pp. 618
- Møller, C.¹ Plesset, M.S.²

5
- 26844534384
- Krishnan R., Binkley J.S., Seeger R., Pople J.A. J. Chem. Phys. 72:1980;650.
- (1980) J. Chem. Phys. , vol.72 , pp. 650
- Krishnan, R.¹ Binkley, J.S.² Seeger, R.³ Pople, J.A.⁴

6
- 84986468715
- Clark T., Chandrasekhar J., Spitznagel G.W., von R. Schleyer P. J. Comput. Chem. 4:1983;294.
- (1983) J. Comput. Chem. , vol.4 , pp. 294
- Clark, T.¹ Chandrasekhar, J.² Spitznagel, G.W.³ Schleyer, P.V.R.⁴

7
- 84986439201
- Schlegel H.B. J. Comput. Chem. 3:1982;214.
- (1982) J. Comput. Chem. , vol.3 , pp. 214
- Schlegel, H.B.¹

8
- 0014785955
- Murtagh B.A., Sargent R.W.H. Comput. J. 13:1970;185.
- (1970) Comput. J. , vol.13 , pp. 185
- Murtagh, B.A.¹ Sargent, R.W.H.²

9
- 84946293303
- Liu B., McLean A.D. J. Chem. Phys. 59:1973;4557.
- (1973) J. Chem. Phys. , vol.59 , pp. 4557
- Liu, B.¹ McLean, A.D.²

10
- 84890021933
- Boys S.F., Bernardi F. Mol. Phys. 19:1970;553.
- (1970) Mol. Phys. , vol.19 , pp. 553
- Boys, S.F.¹ Bernardi, F.²

11
- 0009005971
- Cohen R.C., Saykally R.J. J. Phys. Chem. 96:1992;1024.
- (1992) J. Phys. Chem. , vol.96 , pp. 1024
- Cohen, R.C.¹ Saykally, R.J.²

12
- 0041828005
- Havenith M., Linnartz H., Zwart E., Kips A., Termeulen J.J., Meerts W.L. Chem. Phys. Letts. 193:1992;261.
- (1992) Chem. Phys. Letts. , vol.193 , pp. 261
- Havenith, M.¹ Linnartz, H.² Zwart, E.³ Kips, A.⁴ Termeulen, J.J.⁵ Meerts, W.L.⁶

13
- 0000061538
- Loeser J.G., Schmuttenmaer C.A., Cohen R.C., Elrod M.J., Steyert D.W., Saykally R.J., Bumgarner R.E., Blake G.A. J. Chem. Phys. 97:1992;4727.
- (1992) J. Chem. Phys. , vol.97 , pp. 4727
- Loeser, J.G.¹ Schmuttenmaer, C.A.² Cohen, R.C.³ Elrod, M.J.⁴ Steyert, D.W.⁵ Saykally, R.J.⁶ Bumgarner, R.E.⁷ Blake, G.A.⁸

14
- 0001526988
- Linnartz H., Kips A., Meerts W.L., Havenith M. J. Chem. Phys. 99:1993;2449.
- (1993) J. Chem. Phys. , vol.99 , pp. 2449
- Linnartz, H.¹ Kips, A.² Meerts, W.L.³ Havenith, M.⁴

15
- 21844506958
- Linnartz H., Meerts W.L., Havenith M. Chem. Phys. 193:1995;327.
- (1995) Chem. Phys. , vol.193 , pp. 327
- Linnartz, H.¹ Meerts, W.L.² Havenith, M.³

16
- 0142089366
- Heineking N., Stahl W., Olthof E.H.T., Wormer P.E.S., van der Avoird A., Havenith M. J. Chem. Phys. 102:1995;8693.
- (1995) J. Chem. Phys. , vol.102 , pp. 8693
- Heineking, N.¹ Stahl, W.² Olthof, E.H.T.³ Wormer, P.E.S.⁴ Van Der Avoird, A.⁵ Havenith, M.⁶

17
- 0003328865
- Cotti G., Linnartz H., Meerts W.L., van der Avoird A., Olthof E.H.T. J. Chem. Phys. 104:1996;3898.
- (1996) J. Chem. Phys. , vol.104 , pp. 3898
- Cotti, G.¹ Linnartz, H.² Meerts, W.L.³ Van Der Avoird, A.⁴ Olthof, E.H.T.⁵

18
- 0001453988
- Behrens M., Buck U., Frochtenicht R., Hartmann M., Havenith M. J. Chem. Phys. 107:1997;7179.
- (1997) J. Chem. Phys. , vol.107 , pp. 7179
- Behrens, M.¹ Buck, U.² Frochtenicht, R.³ Hartmann, M.⁴ Havenith, M.⁵

19
- 0001544835
- Karyakin E.N., Fraser G.T., Loeser J.G., Saykally R.J. J. Chem. Phys. 110:1999;9555.
- (1999) J. Chem. Phys. , vol.110 , pp. 9555
- Karyakin, E.N.¹ Fraser, G.T.² Loeser, J.G.³ Saykally, R.J.⁴

20
- 0000548175
- Farmanara P., Radhoff W., Stert V., Ritze H.-H., Hertel I.V. J. Chem. Phys. 111:1999;633.
- (1999) J. Chem. Phys. , vol.111 , pp. 633
- Farmanara, P.¹ Radhoff, W.² Stert, V.³ Ritze, H.-H.⁴ Hertel, I.V.⁵

21
- 0000707632
- Pugliano N., Saykally R.J. J. Chem. Phys. 96:1992;1832.
- (1992) J. Chem. Phys. , vol.96 , pp. 1832
- Pugliano, N.¹ Saykally, R.J.²

22
- 36449007723
- Pugliano N., Cruzan J.D., Loeser J.G., Saykally R.J. J. Chem. Phys. 98:1993;6600.
- (1993) J. Chem. Phys. , vol.98 , pp. 6600
- Pugliano, N.¹ Cruzan, J.D.² Loeser, J.G.³ Saykally, R.J.⁴

23
- 0039469306
- Ventura O.N., Irving K., Latajka Z. Chem. Phys. Letts. 217:1994;436.
- (1994) Chem. Phys. Letts. , vol.217 , pp. 436
- Ventura, O.N.¹ Irving, K.² Latajka, Z.³

24
- 0001251757
- Karyakin E.N., Fraser G.T., Lovas F.J., Suenram R.D., Fujitake M. J. Chem. Phys. 102:1995;1114.
- (1995) J. Chem. Phys. , vol.102 , pp. 1114
- Karyakin, E.N.¹ Fraser, G.T.² Lovas, F.J.³ Suenram, R.D.⁴ Fujitake, M.⁵

25
- 0031076420
- Fraser G.T., Lovas F.J., Suenram R.D., Karyakin E.N., Grushow A., Burns W.A., Leopold K.R. J. Mol. Spectrosc. 181:1997;229.
- (1997) J. Mol. Spectrosc. , vol.181 , pp. 229
- Fraser, G.T.¹ Lovas, F.J.² Suenram, R.D.³ Karyakin, E.N.⁴ Grushow, A.⁵ Burns, W.A.⁶ Leopold, K.R.⁷

26
- 0000818599
- Paul J.B., Provencal R.A., Saykally R.J. J. Phys. Chem. A. 102:1998;3279.
- (1998) J. Phys. Chem. A , vol.102 , pp. 3279
- Paul, J.B.¹ Provencal, R.A.² Saykally, R.J.³

27
- 0001029758
- Suhm M.A., Farrell J.T. jr., McIlroy A., Nesbitt D.J. J. Chem. Phys. 97:1992;5341.
- (1992) J. Chem. Phys. , vol.97 , pp. 5341
- Suhm, M.A.¹ Farrell Jr., J.T.² McIlroy, A.³ Nesbitt, D.J.⁴

28
- 4243136772
- Laush C., Lisy J.M., Huisken F., Kulcke A. J. Chem. Phys. 98:1993;5982.
- (1993) J. Chem. Phys. , vol.98 , pp. 5982
- Laush, C.¹ Lisy, J.M.² Huisken, F.³ Kulcke, A.⁴

29
- 54749113394
- Chang H.C., Klemperer W. J. Chem. Phys. 98:1993;9266.
- (1993) J. Chem. Phys. , vol.98 , pp. 9266
- Chang, H.C.¹ Klemperer, W.²

30
- 0010922968
- Chang H.C., Klemperer W. J. Chem. Phys. 100:1994;1.
- (1994) J. Chem. Phys. , vol.100 , pp. 1
- Chang, H.C.¹ Klemperer, W.²

31
- 0001621961
- Anderson D.T., Davis S., Nesbitt D.J. J. Chem. Phys. 104:1996;6225.
- (1996) J. Chem. Phys. , vol.104 , pp. 6225
- Anderson, D.T.¹ Davis, S.² Nesbitt, D.J.³

32
- 0000445727
- Davis S., Anderson D.T., Farrell J.T. jr., Nesbitt D.J. J. Chem. Phys. 104:1996;8197.
- (1996) J. Chem. Phys. , vol.104 , pp. 8197
- Davis, S.¹ Anderson, D.T.² Farrell Jr., J.T.³ Nesbitt, D.J.⁴

33
- 0000180196
- Farrell J.T. jr., Suhm M.A., Nesbitt D.J. J. Chem. Phys. 104:1996;9313.
- (1996) J. Chem. Phys. , vol.104 , pp. 9313
- Farrell Jr., J.T.¹ Suhm, M.A.² Nesbitt, D.J.³

34
- 0030247290
- Anderson D.T., Davis S., Nesbitt D.J. J. Chem. Phys. 105:1996;4488.
- (1996) J. Chem. Phys. , vol.105 , pp. 4488
- Anderson, D.T.¹ Davis, S.² Nesbitt, D.J.³

35
- 0030261703
- Davis S., Anderson D.T., Nesbitt D.J. J. Chem. Phys. 105:1996;6645.
- (1996) J. Chem. Phys. , vol.105 , pp. 6645
- Davis, S.¹ Anderson, D.T.² Nesbitt, D.J.³

36
- 0000301546
- Schuder M.D., Lovejoy C.M., Lascola R., Nesbitt D.J. J. Chem. Phys. 99:1993;4346.
- (1993) J. Chem. Phys. , vol.99 , pp. 4346
- Schuder, M.D.¹ Lovejoy, C.M.² Lascola, R.³ Nesbitt, D.J.⁴

37
- 26144454015
- Schuder M.D., Nelson D.D. jr., Nesbitt D.J. J. Chem. Phys. 99:1993;5045.
- (1993) J. Chem. Phys. , vol.99 , pp. 5045
- Schuder, M.D.¹ Nelson Jr., D.D.² Nesbitt, D.J.³

38
- 0001442803
- Schuder M.D., Nesbitt D.J. J. Chem. Phys. 100:1994;7250.
- (1994) J. Chem. Phys. , vol.100 , pp. 7250
- Schuder, M.D.¹ Nesbitt, D.J.²

39
- 0000962615
- Meads R.F., McIntosh A.L., Arno J.I., Hartz C.L., Lucchese R.R., Bevan J.W. J. Chem. Phys. 101:1994;4593.
- (1994) J. Chem. Phys. , vol.101 , pp. 4593
- Meads, R.F.¹ McIntosh, A.L.² Arno, J.I.³ Hartz, C.L.⁴ Lucchese, R.R.⁵ Bevan, J.W.⁶

40
- 0000371737
- Liu K., Dulligan M., Bezel I., Kolessov A., Wittig C. J. Chem. Phys. 108:1998;9614.
- (1998) J. Chem. Phys. , vol.108 , pp. 9614
- Liu, K.¹ Dulligan, M.² Bezel, I.³ Kolessov, A.⁴ Wittig, C.⁵

41
- 0002845427
- Yeo G.A., Ford T.A. Struct. Chem. 3:1992;75.
- (1992) Struct. Chem. , vol.3 , pp. 75
- Yeo, G.A.¹ Ford, T.A.²

42
- 0035899126
- Andrews L., Wang X. J. Phys. Chem. A. 105:2001;7541.
- (2001) J. Phys. Chem. A , vol.105 , pp. 7541
- Andrews, L.¹ Wang, X.²

43
- 0000918055
- Forney D., Jacox M.E., Thompson W.E. J. Mol. Spectrosc. 157:1993;479.
- (1993) J. Mol. Spectrosc. , vol.157 , pp. 479
- Forney, D.¹ Jacox, M.E.² Thompson, W.E.³

44
- 0031574867
- Grigorenko B.L., Nemukhin A.V. Chem. Phys. Letts. 270:1997;103.
- (1997) Chem. Phys. Letts. , vol.270 , pp. 103
- Grigorenko, B.L.¹ Nemukhin, A.V.²

45
- 0001514099
- Koga K., Takami A., Koda S. Chem. Phys. Letts. 293:1998;180.
- (1998) Chem. Phys. Letts. , vol.293 , pp. 180
- Koga, K.¹ Takami, A.² Koda, S.³

46
- 0001266136
- Isoniemi E., Pettersson M., Khriachtchev L., Lundell J., Räsänen M. J. Phys. Chem. A. 103:1999;679.
- (1999) J. Phys. Chem. A , vol.103 , pp. 679
- Isoniemi, E.¹ Pettersson, M.² Khriachtchev, L.³ Lundell, J.⁴ Räsänen, M.⁵

47
- 0001520968
- Lorenz M., Kraus D., Räsänen M., Bondybey V.E. J. Chem. Phys. 112:2000;3803.
- (2000) J. Chem. Phys. , vol.112 , pp. 3803
- Lorenz, M.¹ Kraus, D.² Räsänen, M.³ Bondybey, V.E.⁴

48
- 0001093945
- van Bladel J.W.I., van der Avoird A., Wormer P.E.S., Saykally R.J. J. Chem. Phys. 97:1992;4750.
- (1992) J. Chem. Phys. , vol.97 , pp. 4750
- Van Bladel, J.W.I.¹ Van Der Avoird, A.² Wormer, P.E.S.³ Saykally, R.J.⁴

49
- 0345641139
- Orozco M., Luque F.J. J. Mol. Struct. (Theochem.). 254:1992;31.
- (1992) J. Mol. Struct. (Theochem.) , vol.254 , pp. 31
- Orozco, M.¹ Luque, F.J.²

50
- 0003782821
- Coitino E.L., Ventura O.N., Sosa R.M. J. Mol. Struct. (Theochem.). 254:1992;315.
- (1992) J. Mol. Struct. (Theochem.) , vol.254 , pp. 315
- Coitino, E.L.¹ Ventura, O.N.² Sosa, R.M.³

51
- 0000701426
- Kaupp M., von R. Schleyer P. J. Phys. Chem. 96:1992;7316.
- (1992) J. Phys. Chem. , vol.96 , pp. 7316
- Kaupp, M.¹ Schleyer, P.V.R.²

52
- 0010196485
- Magnasco V., Figari G., Costa C. J. Mol. Struct. (Theochem.). 261:1992;237.
- (1992) J. Mol. Struct. (Theochem.) , vol.261 , pp. 237
- Magnasco, V.¹ Figari, G.² Costa, C.³

53
- 0013380167
- Yeo G.A., Ford T.A. J. Mol. Struct. 266:1992;183.
- (1992) J. Mol. Struct. , vol.266 , pp. 183
- Yeo, G.A.¹ Ford, T.A.²

54
- 0011503429
- Yeo G.A., Ford T.A. J. Mol. Struct. 270:1992;417.
- (1992) J. Mol. Struct. , vol.270 , pp. 417
- Yeo, G.A.¹ Ford, T.A.²

55
- 36449009230
- Tao F.-M., Klemperer W. J. Chem. Phys. 99:1993;5976.
- (1993) J. Chem. Phys. , vol.99 , pp. 5976
- Tao, F.-M.¹ Klemperer, W.²

56
- 0040484849
- von Arnim M., Peyerimhoff S.D. Theoret. Chim. Acta. 87:1993;41.
- (1993) Theoret. Chim. Acta , vol.87 , pp. 41
- Von Arnim, M.¹ Peyerimhoff, S.D.²

57
- 84990716081
- Kong J., Yan J. Int. J. Quantum Chem. 46:1993;239.
- (1993) Int. J. Quantum Chem. , vol.46 , pp. 239
- Kong, J.¹ Yan, J.²

58
- 43949164521
- Stone A.J. Chem. Phys. Letts. 211:1993;101.
- (1993) Chem. Phys. Letts. , vol.211 , pp. 101
- Stone, A.J.¹

59
- 0000715773
- Gao J., Xia X., George T.F. J. Phys. Chem. 97:1993;9241.
- (1993) J. Phys. Chem. , vol.97 , pp. 9241
- Gao, J.¹ Xia, X.² George, T.F.³

60
- 84990671488
- Vogel S., Fischer T.H., Hutter J., Lüthi H.-P. Int. J. Quantum Chem. 45:1993;679.
- (1993) Int. J. Quantum Chem. , vol.45 , pp. 679
- Vogel, S.¹ Fischer, T.H.² Hutter, J.³ Lüthi, H.-P.⁴

61
- 0011694415
- Del Bene J.E., Shavitt I. J. Mol. Struct. (Theochem.). 307:1994;27.
- (1994) J. Mol. Struct. (Theochem.) , vol.307 , pp. 27
- Del Bene, J.E.¹ Shavitt, I.²

62
- 0041972597
- Olthof E.H.T., van der Avoird A., Wormer P.E.S. J. Mol. Struct. (Theochem.). 307:1994;201.
- (1994) J. Mol. Struct. (Theochem.) , vol.307 , pp. 201
- Olthof, E.H.T.¹ Van Der Avoird, A.² Wormer, P.E.S.³

63
- 4344715930
- Yeo G.A., Ford T.A. Spectrochim. Acta, Part A. 50:1994;5.
- (1994) Spectrochim. Acta, Part A , vol.50 , pp. 5
- Yeo, G.A.¹ Ford, T.A.²

64
- 84987142246
- Zhu T.H., Yang W.T. Int. J. Quantum Chem. 49:1994;613.
- (1994) Int. J. Quantum Chem. , vol.49 , pp. 613
- Zhu, T.H.¹ Yang, W.T.²

65
- 4244058692
- Cybulski S.M. Chem. Phys. Letts. 228:1994;451.
- (1994) Chem. Phys. Letts. , vol.228 , pp. 451
- Cybulski, S.M.¹

66
- 0000762647
- Olthof E.H.T., van der Avoird A., Wormer P.E.S. J. Chem. Phys. 101:1994;8430.
- (1994) J. Chem. Phys. , vol.101 , pp. 8430
- Olthof, E.H.T.¹ Van Der Avoird, A.² Wormer, P.E.S.³

67
- 0000352016
- Olthof E.H.T., van der Avoird A., Wormer P.E.S., Loeser J.G., Saykally R.J. J. Chem. Phys. 101:1994;8443.
- (1994) J. Chem. Phys. , vol.101 , pp. 8443
- Olthof, E.H.T.¹ Van Der Avoird, A.² Wormer, P.E.S.³ Loeser, J.G.⁴ Saykally, R.J.⁵

68
- 0003326256
- van der Avoird A., Olthof E.H.T., Wormer P.E.S. Faraday Disc. Chem. Soc. 97:1994;43.
- (1994) Faraday Disc. Chem. Soc. , vol.97 , pp. 43
- Van Der Avoird, A.¹ Olthof, E.H.T.² Wormer, P.E.S.³

69
- 84985450740
- Lii J.-H., Allinger N.L. J. Phys. Org. Chem. 7:1994;591.
- (1994) J. Phys. Org. Chem. , vol.7 , pp. 591
- Lii, J.-H.¹ Allinger, N.L.²

70
- 0001758232
- Chalasinski G., Szczesniak M.M. Chem. Rev. 94:1994;1723.
- (1994) Chem. Rev. , vol.94 , pp. 1723
- Chalasinski, G.¹ Szczesniak, M.M.²

71
- 0347698522
- van der Avoird A., Wormer P.E.S., Moszynski R. Chem. Rev. 94:1994;1931.
- (1994) Chem. Rev. , vol.94 , pp. 1931
- Van Der Avoird, A.¹ Wormer, P.E.S.² Moszynski, R.³

72
- 0000288635
- Muguet F.F., Robinson G.W. J. Chem. Phys. 102:1995;3648.
- (1995) J. Chem. Phys. , vol.102 , pp. 3648
- Muguet, F.F.¹ Robinson, G.W.²

73
- 1542581752
- Muguet F.F., Robinson G.W., Bassez-Muguet M.P. J. Chem. Phys. 102:1995;3655.
- (1995) J. Chem. Phys. , vol.102 , pp. 3655
- Muguet, F.F.¹ Robinson, G.W.² Bassez-Muguet, M.P.³

74
- 0000741841
- Langlet J., Caillet J., Caffarel M. J. Chem. Phys. 103:1995;8043.
- (1995) J. Chem. Phys. , vol.103 , pp. 8043
- Langlet, J.¹ Caillet, J.² Caffarel, M.³

75
- 0000445585
- Platts J.A., Laidig K.E. J. Phys. Chem. 99:1995;6487.
- (1995) J. Phys. Chem. , vol.99 , pp. 6487
- Platts, J.A.¹ Laidig, K.E.²

76
- 0009758179
- Novoa J.J., Sosa C. J. Phys. Chem. 99:1995;15837.
- (1995) J. Phys. Chem. , vol.99 , pp. 15837
- Novoa, J.J.¹ Sosa, C.²

77
- 0011134241
- Halgren T.A. J. Comput. Chem. 17:1996;520.
- (1996) J. Comput. Chem. , vol.17 , pp. 520
- Halgren, T.A.¹

78
- 0002520938
- Kieninger M., Suhai S. J. Comput. Chem. 17:1996;1508.
- (1996) J. Comput. Chem. , vol.17 , pp. 1508
- Kieninger, M.¹ Suhai, S.²

79
- 4344572686
- Park J.K., Iwata S. J. Phys. Chem. A. 101:1997;343.
- (1997) J. Phys. Chem. A , vol.101 , pp. 343
- Park, J.K.¹ Iwata, S.²

80
- 0242448307
- Jursic B.S. J. Mol. Struct. (Theochem.). 434:1998;29.
- (1998) J. Mol. Struct. (Theochem.) , vol.434 , pp. 29
- Jursic, B.S.¹

81
- 0001008880
- Fulton R.L., Perhacs P. J. Phys. Chem. A. 102:1998;9001.
- (1998) J. Phys. Chem. A , vol.102 , pp. 9001
- Fulton, R.L.¹ Perhacs, P.²

82
- 0001412027
- Masella M., Flament J.-P. J. Chem. Phys. 110:1999;7245.
- (1999) J. Chem. Phys. , vol.110 , pp. 7245
- Masella, M.¹ Flament, J.-P.²

83
- 0442299338
- Wang Y., Gunn J.R. Int. J. Quantum Chem. 73:1999;357.
- (1999) Int. J. Quantum Chem. , vol.73 , pp. 357
- Wang, Y.¹ Gunn, J.R.²

84
- 0034225404
- Rappe A.K., Bernstein E.R. J. Phys. Chem. A. 104:2000;6117.
- (2000) J. Phys. Chem. A , vol.104 , pp. 6117
- Rappe, A.K.¹ Bernstein, E.R.²

85
- 0001586512
- Lee J.S., Park S.Y. J. Chem. Phys. 112:2000;230.
- (2000) J. Chem. Phys. , vol.112 , pp. 230
- Lee, J.S.¹ Park, S.Y.²

86
- 0034271556
- Hannongbua S. J. Chem. Phys. 113:2000;4707.
- (2000) J. Chem. Phys. , vol.113 , pp. 4707
- Hannongbua, S.¹

87
- 0033627308
- Honda K. Bull. Chem. Soc. Japan. 73:2000;289.
- (2000) Bull. Chem. Soc. Japan , vol.73 , pp. 289
- Honda, K.¹

88
- 0005832947
- Kulkarni S.A., Pathak R.K. Chem. Phys. Letts. 336:2001;278.
- (2001) Chem. Phys. Letts. , vol.336 , pp. 278
- Kulkarni, S.A.¹ Pathak, R.K.²

89
- 0035281210
- Tsuzuki S., Lüthi H.-P. J. Chem. Phys. 114:2001;3949.
- (2001) J. Chem. Phys. , vol.114 , pp. 3949
- Tsuzuki, S.¹ Lüthi, H.-P.²

90
- 0035396250
- Farmanara P., Stert V., Ritze N.-H., Radloff W., Hertel I.V. J. Chem. Phys. 115:2001;277.
- (2001) J. Chem. Phys. , vol.115 , pp. 277
- Farmanara, P.¹ Stert, V.² Ritze, N.-H.³ Radloff, W.⁴ Hertel, I.V.⁵

91
- 0035733257
- Hamza A., Vibok A., Halasz G.J., Mayer I. Theoret. Chem. Accounts. 107:2001;38.
- (2001) Theoret. Chem. Accounts , vol.107 , pp. 38
- Hamza, A.¹ Vibok, A.² Halasz, G.J.³ Mayer, I.⁴

92
- 4344598724
- in press
- J.A. Altmann, M.G. Govender, T.A. Ford, Mol. Phys. (in press).
- Mol. Phys.
- Altmann, J.A.¹ Govender, M.G.² Ford, T.A.³

93
- 44049112580
- Cybulski S.M., Chalasinski G. Chem. Phys. Letts. 197:1992;591.
- (1992) Chem. Phys. Letts. , vol.197 , pp. 591
- Cybulski, S.M.¹ Chalasinski, G.²

94
- 84990642373
- Vibok A., Mayer I. Int. J. Quantum Chem. 43:1992;801.
- (1992) Int. J. Quantum Chem. , vol.43 , pp. 801
- Vibok, A.¹ Mayer, I.²

95
- 0041042305
- Roeggen I., Dahl T. J. Am. Chem. Soc. 114:1992;511.
- (1992) J. Am. Chem. Soc. , vol.114 , pp. 511
- Roeggen, I.¹ Dahl, T.²

96
- 0000953168
- Craw J.S., Bacskay G.B. J. Chem. Soc., Faraday Trans. 88:1992;2315.
- (1992) J. Chem. Soc., Faraday Trans. , vol.88 , pp. 2315
- Craw, J.S.¹ Bacskay, G.B.²

97
- 0347007668
- Feller D. J. Chem. Phys. 96:1992;6104.
- (1992) J. Chem. Phys. , vol.96 , pp. 6104
- Feller, D.¹

98
- 0342269968
- Van Duijneveldt F.B., van Duijneveldt-van der Rijdt J.G.C.M. J. Chem. Phys. 97:1992;5019.
- (1992) J. Chem. Phys. , vol.97 , pp. 5019
- Van Duijneveldt, F.B.¹ Van Duijneveldt-Van Der Rijdt, J.G.C.M.²

99
- 0347638362
- Kim K.S., Mhin B.J., Choi U.-S., Lee K. J. Chem. Phys. 97:1992;6649.
- (1992) J. Chem. Phys. , vol.97 , pp. 6649
- Kim, K.S.¹ Mhin, B.J.² Choi, U.-S.³ Lee, K.⁴

100
- 33749419794
- Fischer T.H., Almlof J. J. Phys. Chem. 96:1992;9768.
- (1992) J. Phys. Chem. , vol.96 , pp. 9768
- Fischer, T.H.¹ Almlof, J.²

101
- 30844448935
- Sosa R.M., Irving K., Ventura O.N. J. Mol. Struct. (Theochem.). 254:1992;453.
- (1992) J. Mol. Struct. (Theochem.) , vol.254 , pp. 453
- Sosa, R.M.¹ Irving, K.² Ventura, O.N.³

102
- 4344713708
- Scheiner S. J. Mol. Struct. (Theochem.). 256:1992;1.
- (1992) J. Mol. Struct. (Theochem.) , vol.256 , pp. 1
- Scheiner, S.¹

103
- 33645718540
- van Duijneveldt F.B., van Duijneveldt-van der Rijdt J.G.C.M., DeGroot-den Hartogh M. Croat. Chem. Acta. 65:1992;1.
- (1992) Croat. Chem. Acta , vol.65 , pp. 1
- Van Duijneveldt, F.B.¹ Van Duijneveldt-Van Der Rijdt, J.G.C.M.² DeGroot-Den Hartogh, M.³

104
- 20344381993
- Feyereisen M., Fitzgerald G., Komornicki A. Chem. Phys. Letts. 208:1993;359.
- (1993) Chem. Phys. Letts. , vol.208 , pp. 359
- Feyereisen, M.¹ Fitzgerald, G.² Komornicki, A.³

105
- 43949170601
- Ferrari A.M., Garrone E., Ugliengo P. Chem. Phys. Letts. 212:1993;644.
- (1993) Chem. Phys. Letts. , vol.212 , pp. 644
- Ferrari, A.M.¹ Garrone, E.² Ugliengo, P.³

106
- 4243909695
- Panas I. Chem. Phys. Letts. 216:1993;173.
- (1993) Chem. Phys. Letts. , vol.216 , pp. 173
- Panas, I.¹

107
- 21144471831
- van Duijneveldt F.B., van Duijneveldt-van der Rijdt J.G.C.M. Chem. Phys. 175:1993;271.
- (1993) Chem. Phys. , vol.175 , pp. 271
- Van Duijneveldt, F.B.¹ Van Duijneveldt-Van Der Rijdt, J.G.C.M.²

108
- 0000950988
- Wales D.J. J. Am. Chem. Soc. 115:1993;11180.
- (1993) J. Am. Chem. Soc. , vol.115 , pp. 11180
- Wales, D.J.¹

109
- 36449000402
- Saebo S., Tong W., Pulay P. J. Chem. Phys. 98:1993;2170.
- (1993) J. Chem. Phys. , vol.98 , pp. 2170
- Saebo, S.¹ Tong, W.² Pulay, P.³

110
- 36449008540
- Schutz M., Burgi T., Leutwyler S., Fischer T. J. Chem. Phys. 98:1993;3763.
- (1993) J. Chem. Phys. , vol.98 , pp. 3763
- Schutz, M.¹ Burgi, T.² Leutwyler, S.³ Fischer, T.⁴

111
- 36449007707
- Xantheas S.S., Dunning T.H. J. Chem. Phys. 98:1993;8037.
- (1993) J. Chem. Phys. , vol.98 , pp. 8037
- Xantheas, S.S.¹ Dunning, T.H.²

112
- 0000233304
- Robins K.A., Kirtman B. J. Chem. Phys. 99:1993;6777.
- (1993) J. Chem. Phys. , vol.99 , pp. 6777
- Robins, K.A.¹ Kirtman, B.²

113
- 0037669192
- Pastor N., Ortega-Blake I. J. Chem. Phys. 99:1993;7899.
- (1993) J. Chem. Phys. , vol.99 , pp. 7899
- Pastor, N.¹ Ortega-Blake, I.²

114
- 0347400933
- Xantheas S.S., Dunning T.H. J. Chem. Phys. 99:1993;8774.
- (1993) J. Chem. Phys. , vol.99 , pp. 8774
- Xantheas, S.S.¹ Dunning, T.H.²

115
- 0001602293
- Bakkas N., Bouteiller Y., Loutellier A., Perchard J.P., Racine S. J. Chem. Phys. 99:1993;3335.
- (1993) J. Chem. Phys. , vol.99 , pp. 3335
- Bakkas, N.¹ Bouteiller, Y.² Loutellier, A.³ Perchard, J.P.⁴ Racine, S.⁵

116
- 0004828679
- Sosa R.M., Gardiol P., Ventura O.N. J. Mol. Struct. 297:1993;337.
- (1993) J. Mol. Struct. , vol.297 , pp. 337
- Sosa, R.M.¹ Gardiol, P.² Ventura, O.N.³

117
- 0010297384
- Chesnut D.B., Rusiloski B.E. J. Phys. Chem. 97:1993;2839.
- (1993) J. Phys. Chem. , vol.97 , pp. 2839
- Chesnut, D.B.¹ Rusiloski, B.E.²

118
- 3843079348
- Chakravorty S., Davidson E.R. J. Phys. Chem. 97:1993;6373.
- (1993) J. Phys. Chem. , vol.97 , pp. 6373
- Chakravorty, S.¹ Davidson, E.R.²

119
- 0003111092
- Davidson E.R., Chakravorty S.J. Chem. Phys. Letts. 217:1994;48.
- (1994) Chem. Phys. Letts. , vol.217 , pp. 48
- Davidson, E.R.¹ Chakravorty, S.J.²

120
- 0039668321
- Meller J., Haully J.L., Malrieu J.P. Chem. Phys. Letts. 218:1994;276.
- (1994) Chem. Phys. Letts. , vol.218 , pp. 276
- Meller, J.¹ Haully, J.L.² Malrieu, J.P.³

121
- 0041403438
- Kapuy E., Kozmutza C. Chem. Phys. Letts. 226:1994;484.
- (1994) Chem. Phys. Letts. , vol.226 , pp. 484
- Kapuy, E.¹ Kozmutza, C.²

122
- 8344254548
- Glendening E.D., Streitwieser A. J. Chem. Phys. 100:1994;2900.
- (1994) J. Chem. Phys. , vol.100 , pp. 2900
- Glendening, E.D.¹ Streitwieser, A.²

123
- 0000693986
- Zhang N.R., Shillady D.D. J. Chem. Phys. 100:1994;5230.
- (1994) J. Chem. Phys. , vol.100 , pp. 5230
- Zhang, N.R.¹ Shillady, D.D.²

124
- 0343290594
- Janoschek R. J. Mol. Struct. 321:1994;45.
- (1994) J. Mol. Struct. , vol.321 , pp. 45
- Janoschek, R.¹

125
- 0011965102
- Pye C.C., Poirier R.A., Yu D., Surjan P.R. J. Mol. Struct. (Theochem.). 307:1994;239.
- (1994) J. Mol. Struct. (Theochem.) , vol.307 , pp. 239
- Pye, C.C.¹ Poirier, R.A.² Yu, D.³ Surjan, P.R.⁴

126
- 0001472899
- Wang Y.-B., Tao F.-M., Pan Y.-K. J. Mol. Struct. (Theochem.). 309:1994;235.
- (1994) J. Mol. Struct. (Theochem.) , vol.309 , pp. 235
- Wang, Y.-B.¹ Tao, F.-M.² Pan, Y.-K.³

127
- 5244316204
- Peeters D., Leroy G. J. Mol. Struct. (Theochem.). 314:1994;39.
- (1994) J. Mol. Struct. (Theochem.) , vol.314 , pp. 39
- Peeters, D.¹ Leroy, G.²

128
- 43949160275
- Mo O., Yanez M., Elguero J. J. Mol. Struct. (Theochem.). 314:1994;73.
- (1994) J. Mol. Struct. (Theochem.) , vol.314 , pp. 73
- Mo, O.¹ Yanez, M.² Elguero, J.³

129
- 84962448922
- Contrador J.C., Aguilar M.A., Sanchez M.L., Olivares del Valle F. J. Mol. Struct. (Theochem.). 314:1994;229.
- (1994) J. Mol. Struct. (Theochem.) , vol.314 , pp. 229
- Contrador, J.C.¹ Aguilar, M.A.² Sanchez, M.L.³ Del Valle, F.O.⁴

130
- 21744435014
- Orozco M., Luque F.J. Chem. Phys. 182:1994;237.
- (1994) Chem. Phys. , vol.182 , pp. 237
- Orozco, M.¹ Luque, F.J.²

131
- 0000370012
- Bleiber A., Sauer J. Chem. Phys. Letts. 238:1995;243.
- (1995) Chem. Phys. Letts. , vol.238 , pp. 243
- Bleiber, A.¹ Sauer, J.²

132
- 0000738169
- Gutowski M., Szczesniak M.M., Chalasinski G. Chem. Phys. Letts. 241:1995;140.
- (1995) Chem. Phys. Letts. , vol.241 , pp. 140
- Gutowski, M.¹ Szczesniak, M.M.² Chalasinski, G.³

133
- 0006073281
- Meller J., Malrieu J.P., Haully J.L. Chem. Phys. Letts. 244:1995;440.
- (1995) Chem. Phys. Letts. , vol.244 , pp. 440
- Meller, J.¹ Malrieu, J.P.² Haully, J.L.³

134
- 84986461296
- Hobza P., Sponer J., Reschel T. J. Comput. Chem. 16:1995;1315.
- (1995) J. Comput. Chem. , vol.16 , pp. 1315
- Hobza, P.¹ Sponer, J.² Reschel, T.³

135
- 36449009864
- Kim J., Lee J.Y., Lee S., Mhin B.J., Kim K.S. J. Chem. Phys. 102:1995;310.
- (1995) J. Chem. Phys. , vol.102 , pp. 310
- Kim, J.¹ Lee, J.Y.² Lee, S.³ Mhin, B.J.⁴ Kim, K.S.⁵

136
- 0012283778
- Alagona G., Ghio C. J. Mol. Struct. (Theochem.). 330:1995;77.
- (1995) J. Mol. Struct. (Theochem.) , vol.330 , pp. 77
- Alagona, G.¹ Ghio, C.²

137
- 0346930682
- Kozmutza C., Kapuy E., Evleth E.M., Kassab E. J. Mol. Struct. (Theochem.). 332:1995;141.
- (1995) J. Mol. Struct. (Theochem.) , vol.332 , pp. 141
- Kozmutza, C.¹ Kapuy, E.² Evleth, E.M.³ Kassab, E.⁴

138
- 0000836808
- Klopper W., Schutz M. Ber. Bunsenges. Physik. Chem. 99:1995;469.
- (1995) Ber. Bunsenges. Physik. Chem. , vol.99 , pp. 469
- Klopper, W.¹ Schutz, M.²

139
- 0001188328
- Del Bene J.E., Person W.B., Szczepaniak K. J. Phys. Chem. 99:1995;10705.
- (1995) J. Phys. Chem. , vol.99 , pp. 10705
- Del Bene, J.E.¹ Person, W.B.² Szczepaniak, K.³

140
- 0030584483
- Novoa J.J., Planas M., Rovira M.C. Chem. Phys. Letts. 251:1996;33.
- (1996) Chem. Phys. Letts. , vol.251 , pp. 33
- Novoa, J.J.¹ Planas, M.² Rovira, M.C.³

141
- 0030010453
- Scheiner S., Cuma M. J. Am. Chem. Soc. 118:1996;1511.
- (1996) J. Am. Chem. Soc. , vol.118 , pp. 1511
- Scheiner, S.¹ Cuma, M.²

142
- 0000645026
- Mas E.M., Szalewicz K. J. Chem. Phys. 104:1996;7606.
- (1996) J. Chem. Phys. , vol.104 , pp. 7606
- Mas, E.M.¹ Szalewicz, K.²

143
- 0030079225
- Feyereisen M.W., Feller D., Dixon D.A. J. Phys. Chem. 100:1996;2993.
- (1996) J. Phys. Chem. , vol.100 , pp. 2993
- Feyereisen, M.W.¹ Feller, D.² Dixon, D.A.³

144
- 27844483380
- Chen W., Gordon M.S. J. Phys. Chem. 100:1996;14316.
- (1996) J. Phys. Chem. , vol.100 , pp. 14316
- Chen, W.¹ Gordon, M.S.²

145
- 0345926506
- Gregory J.K., Clary D.C. J. Phys. Chem. 100:1996;18014.
- (1996) J. Phys. Chem. , vol.100 , pp. 18014
- Gregory, J.K.¹ Clary, D.C.²

146
- 0001480137
- Moszynski R., Heijmen T.G.A., Jeziorski B. Mol. Phys. 88:1996;741.
- (1996) Mol. Phys. , vol.88 , pp. 741
- Moszynski, R.¹ Heijmen, T.G.A.² Jeziorski, B.³

147
- 0001125626
- Mas E.M., Szalewicz K., Bukowski R., Jeziorski B. J. Chem. Phys. 107:1997;4207.
- (1997) J. Chem. Phys. , vol.107 , pp. 4207
- Mas, E.M.¹ Szalewicz, K.² Bukowski, R.³ Jeziorski, B.⁴

148
- 0001011295
- Schutz M., Brdarski S., Widmark P.-O., Lindh R. J. Chem. Phys. 107:1997;4597.
- (1997) J. Chem. Phys. , vol.107 , pp. 4597
- Schutz, M.¹ Brdarski, S.² Widmark, P.-O.³ Lindh, R.⁴

149
- 0000034346
- Masella M., Flament J.-P. J. Chem. Phys. 107:1997;9105.
- (1997) J. Chem. Phys. , vol.107 , pp. 9105
- Masella, M.¹ Flament, J.-P.²

150
- 85087194239
- Munoz-Caro C., Nino A. J. Phys. Chem. A. 101:1997;41218.
- (1997) J. Phys. Chem. A , vol.101 , pp. 41218
- Munoz-Caro, C.¹ Nino, A.²

151
- 0031273937
- Hodges M.P., Stone A.J., Xantheas S.S. J. Phys. Chem. A. 101:1997;9163.
- (1997) J. Phys. Chem. A , vol.101 , pp. 9163
- Hodges, M.P.¹ Stone, A.J.² Xantheas, S.S.³

152
- 0000949554
- Cuma M., Scheiner S. J. Phys. Org. Chem. 10:1997;383.
- (1997) J. Phys. Org. Chem. , vol.10 , pp. 383
- Cuma, M.¹ Scheiner, S.²

153
- 0038707862
- Hattig C., Jansen G., Hess B.A., Angyan J.G. Mol. Phys. 91:1997;145.
- (1997) Mol. Phys. , vol.91 , pp. 145
- Hattig, C.¹ Jansen, G.² Hess, B.A.³ Angyan, J.G.⁴

154
- 0001452746
- Mayer I., Vibok A. Mol. Phys. 92:1997;503.
- (1997) Mol. Phys. , vol.92 , pp. 503
- Mayer, I.¹ Vibok, A.²

155
- 0031285824
- Halkier A., Koch H., Jorgensen P., Christiansen O., Nielsen I.M.B., Helgaker T. Theoret. Chem. Accounts. 97:1997;150.
- (1997) Theoret. Chem. Accounts , vol.97 , pp. 150
- Halkier, A.¹ Koch, H.² Jorgensen, P.³ Christiansen, O.⁴ Nielsen, I.M.B.⁵ Helgaker, T.⁶

156
- 0000950792
- Anstrand P.-O., Ruud K., Mikkelsen K.V., Helgaker T. J. Phys. Chem. A. 102:1998;7686.
- (1998) J. Phys. Chem. A , vol.102 , pp. 7686
- Anstrand, P.-O.¹ Ruud, K.² Mikkelsen, K.V.³ Helgaker, T.⁴

157
- 0001961803
- Masella M., Flament J.-P. Mol. Phys. 95:1998;97.
- (1998) Mol. Phys. , vol.95 , pp. 97
- Masella, M.¹ Flament, J.-P.²

158
- 0032221819
- Hobza P., Havlas Z. Theoret. Chem. Accounts. 99:1998;372.
- (1998) Theoret. Chem. Accounts , vol.99 , pp. 372
- Hobza, P.¹ Havlas, Z.²

159
- 0042856373
- Kapuy E., Kozmutza C., Ovari L. J. Mol. Struct. (Theochem.). 422:1998;143.
- (1998) J. Mol. Struct. (Theochem.) , vol.422 , pp. 143
- Kapuy, E.¹ Kozmutza, C.² Ovari, L.³

160
- 0032497989
- Gregory J.K. Chem. Phys. Letts. 282:1998;147.
- (1998) Chem. Phys. Letts. , vol.282 , pp. 147
- Gregory, J.K.¹

161
- 0032382284
- Famulari A., Raimondi M., Sironi M., Gianinetti E. Chem. Phys. 232:1998;275.
- (1998) Chem. Phys. , vol.232 , pp. 275
- Famulari, A.¹ Raimondi, M.² Sironi, M.³ Gianinetti, E.⁴

162
- 0032379667
- Famulari A., Raimondi M., Sironi M., Gianinetti E. Chem. Phys. 232:1998;289.
- (1998) Chem. Phys. , vol.232 , pp. 289
- Famulari, A.¹ Raimondi, M.² Sironi, M.³ Gianinetti, E.⁴

163
- 0013451258
- Famulari A., Gianinetti E., Raimondi M., Sironi M. Int. J. Quantum Chem. 69:1998;151.
- (1998) Int. J. Quantum Chem. , vol.69 , pp. 151
- Famulari, A.¹ Gianinetti, E.² Raimondi, M.³ Sironi, M.⁴

164
- 0001937775
- Mayer I. Int. J. Quantum Chem. 70:1998;41.
- (1998) Int. J. Quantum Chem. , vol.70 , pp. 41
- Mayer, I.¹

165
- 4344597253
- Paizs B., Suhai S. J. Comput. Chem. 19:1998;595.
- (1998) J. Comput. Chem. , vol.19 , pp. 595
- Paizs, B.¹ Suhai, S.²

166
- 0000707307
- Liedl K.R. J. Chem. Phys. 108:1998;3199.
- (1998) J. Chem. Phys. , vol.108 , pp. 3199
- Liedl, K.R.¹

167
- 0032002984
- Famulari A., Specchio R., Sironi M., Raimondi M. J. Chem. Phys. 108:1998;3296.
- (1998) J. Chem. Phys. , vol.108 , pp. 3296
- Famulari, A.¹ Specchio, R.² Sironi, M.³ Raimondi, M.⁴

168
- 0001658561
- Masella M., Flament J.-P. J. Chem. Phys. 108:1998;7141.
- (1998) J. Chem. Phys. , vol.108 , pp. 7141
- Masella, M.¹ Flament, J.-P.²

169
- 0032075011
- Bouteiller Y., Desfrancois C., Schermann J.P., Latajka Z., Silvi B. J. Chem. Phys. 108:1998;7967.
- (1998) J. Chem. Phys. , vol.108 , pp. 7967
- Bouteiller, Y.¹ Desfrancois, C.² Schermann, J.P.³ Latajka, Z.⁴ Silvi, B.⁵

170
- 0000060547
- Liedl K.R., Kroemer R.T. J. Phys. Chem. A. 102:1998;1832.
- (1998) J. Phys. Chem. A , vol.102 , pp. 1832
- Liedl, K.R.¹ Kroemer, R.T.²

171
- 0442331866
- Schutz M., Rauhut G., Werner H.J. J. Phys. Chem. A. 102:1998;5997.
- (1998) J. Phys. Chem. A , vol.102 , pp. 5997
- Schutz, M.¹ Rauhut, G.² Werner, H.J.³

172
- 84961978338
- Bentley J. J. Phys. Chem. A. 102:1998;6043.
- (1998) J. Phys. Chem. A , vol.102 , pp. 6043
- Bentley, J.¹

173
- 0013689990
- Lindh R., Bernhardsson A., Schutz M. Chem. Phys. Letts. 303:1999;567.
- (1999) Chem. Phys. Letts. , vol.303 , pp. 567
- Lindh, R.¹ Bernhardsson, A.² Schutz, M.³

174
- 0012961825
- Lukes V., Laurinc V., Biskupic S. Int. J. Quantum Chem. 75:1999;81.
- (1999) Int. J. Quantum Chem. , vol.75 , pp. 81
- Lukes, V.¹ Laurinc, V.² Biskupic, S.³

175
- 0033552238
- Gu Y., Kar T., Schneider S. J. Am. Chem. Soc. 121:1999;9411.
- (1999) J. Am. Chem. Soc. , vol.121 , pp. 9411
- Gu, Y.¹ Kar, T.² Schneider, S.³

176
- 0001242234
- Halgren T.A. J. Comput. Chem. 20:1999;730.
- (1999) J. Comput. Chem. , vol.20 , pp. 730
- Halgren, T.A.¹

177
- 0343575436
- Hernandez N.C., Sanz J.F. J. Comput. Chem. 20:1999;1145.
- (1999) J. Comput. Chem. , vol.20 , pp. 1145
- Hernandez, N.C.¹ Sanz, J.F.²

178
- 0000707905
- Bush B.L., Bayly C.I., Halgren T.A. J. Comput. Chem. 20:1999;1495.
- (1999) J. Comput. Chem. , vol.20 , pp. 1495
- Bush, B.L.¹ Bayly, C.I.² Halgren, T.A.³

179
- 0000391861
- Burnham C.J., Li J., Xantheas S.S., Leslie M. J. Chem. Phys. 110:1999;4566.
- (1999) J. Chem. Phys. , vol.110 , pp. 4566
- Burnham, C.J.¹ Li, J.² Xantheas, S.S.³ Leslie, M.⁴

180
- 0000129802
- Low G.R., Kjaergaard H.G. J. Chem. Phys. 110:1999;9104.
- (1999) J. Chem. Phys. , vol.110 , pp. 9104
- Low, G.R.¹ Kjaergaard, H.G.²

181
- 0001267761
- Chaban G.M., Jung J.O., Gerber R.B. J. Chem. Phys. 111:1999;1823.
- (1999) J. Chem. Phys. , vol.111 , pp. 1823
- Chaban, G.M.¹ Jung, J.O.² Gerber, R.B.³

182
- 0043059441
- van Duijneveldt-van der Rijdt J.G.C.M., van Duijneveldt F.B. J. Chem. Phys. 111:1999;3812.
- (1999) J. Chem. Phys. , vol.111 , pp. 3812
- Van Duijneveldt-Van Der Rijdt, J.G.C.M.¹ Van Duijneveldt, F.B.²

183
- 0001695954
- Batista E.R., Xantheas S.S., Jonsson H. J. Chem. Phys. 111:1999;6011.
- (1999) J. Chem. Phys. , vol.111 , pp. 6011
- Batista, E.R.¹ Xantheas, S.S.² Jonsson, H.³

184
- 0001443309
- Scuseria G.E., Ayala P.Y. J. Chem. Phys. 111:1999;8330.
- (1999) J. Chem. Phys. , vol.111 , pp. 8330
- Scuseria, G.E.¹ Ayala, P.Y.²

185
- 0000098578
- Halkier A., Klopper W., Helgaker T., Jorgensen P., Taylor P.R. J. Chem. Phys. 111:1999;9157.
- (1999) J. Chem. Phys. , vol.111 , pp. 9157
- Halkier, A.¹ Klopper, W.² Helgaker, T.³ Jorgensen, P.⁴ Taylor, P.R.⁵

186
- 0000913618
- Simon S., Duran M., Dannenberg J.J. J. Phys. Chem. A. 103:1999;1640.
- (1999) J. Phys. Chem. A , vol.103 , pp. 1640
- Simon, S.¹ Duran, M.² Dannenberg, J.J.³

187
- 0033518333
- Mooij W.T.M., van Duijneveldt F.B., van Duijneveldt-van der Rijdt J.G.C.M., van Eijck B.P. J. Phys. Chem. A. 103:1999;9872.
- (1999) J. Phys. Chem. A , vol.103 , pp. 9872
- Mooij, W.T.M.¹ Van Duijneveldt, F.B.² Van Duijneveldt-Van Der Rijdt, J.G.C.M.³ Van Eijck, B.P.⁴

188
- 0343897781
- Klopper W., Lüthi H.-P. Mol. Phys. 96:1999;559.
- (1999) Mol. Phys. , vol.96 , pp. 559
- Klopper, W.¹ Lüthi, H.-P.²

189
- 0033165944
- Hobza P., Bludsky O., Suhai S. Phys. Chem. Chem. Phys. 1:1999;3073.
- (1999) Phys. Chem. Chem. Phys. , vol.1 , pp. 3073
- Hobza, P.¹ Bludsky, O.² Suhai, S.³

190
- 0033212697
- Weigend F., Ahlrichs R. Phys. Chem. Chem. Phys. 1:1999;4537.
- (1999) Phys. Chem. Chem. Phys. , vol.1 , pp. 4537
- Weigend, F.¹ Ahlrichs, R.²

191
- 0033572229
- Clementi E., Corongiu G. J. Mol. Struct. (Theochem.). 493:1999;1.
- (1999) J. Mol. Struct. (Theochem.) , vol.493 , pp. 1
- Clementi, E.¹ Corongiu, G.²

192
- 0000290516
- Novoa J.J., Mota F. Chem. Phys. Letts. 318:2000;345.
- (2000) Chem. Phys. Letts. , vol.318 , pp. 345
- Novoa, J.J.¹ Mota, F.²

193
- 0001510716
- Hodges M.P., Wheatley R.J. Chem. Phys. Letts. 326:2000;263.
- (2000) Chem. Phys. Letts. , vol.326 , pp. 263
- Hodges, M.P.¹ Wheatley, R.J.²

194
- 0012563980
- Minikis R.M., Jensen J.H. Int. J. Quantum Chem. 76:2000;341.
- (2000) Int. J. Quantum Chem. , vol.76 , pp. 341
- Minikis, R.M.¹ Jensen, J.H.²

195
- 0034673296
- Ghanty T.K., Straroverov V.N., Koren P.R., Davidson E.R. J. Am. Chem. Soc. 122:2000;1210.
- (2000) J. Am. Chem. Soc. , vol.122 , pp. 1210
- Ghanty, T.K.¹ Straroverov, V.N.² Koren, P.R.³ Davidson, E.R.⁴

196
- 0000683354
- Korchowiec J., Uchimaru T. J. Chem. Phys. 112:2000;1623.
- (2000) J. Chem. Phys. , vol.112 , pp. 1623
- Korchowiec, J.¹ Uchimaru, T.²

197
- 0000011501
- Wright N.J., Gerber R.B. J. Chem. Phys. 112:2000;2598.
- (2000) J. Chem. Phys. , vol.112 , pp. 2598
- Wright, N.J.¹ Gerber, R.B.²

198
- 4344691794
- Hesselmann A., Jansen G. J. Chem. Phys. 112:2000;6938.
- (2000) J. Chem. Phys. , vol.112 , pp. 6938
- Hesselmann, A.¹ Jansen, G.²

199
- 0033706636
- Lee H.M., Suh S.B., Lee J.Y., Tarakeshwar P., Kim K.S. J. Chem. Phys. 112:2000;9759.
- (2000) J. Chem. Phys. , vol.112 , pp. 9759
- Lee, H.M.¹ Suh, S.B.² Lee, J.Y.³ Tarakeshwar, P.⁴ Kim, K.S.⁵

200
- 0034245646
- Grigorenko B.L., Nemukhin A.V., Topol I.A., Burt S.K. J. Chem. Phys. 113:2000;2638.
- (2000) J. Chem. Phys. , vol.113 , pp. 2638
- Grigorenko, B.L.¹ Nemukhin, A.V.² Topol, I.A.³ Burt, S.K.⁴

201
- 0343391097
- Hernandez N.C., Sanz J.F. J. Chem. Phys. 113:2000;6082.
- (2000) J. Chem. Phys. , vol.113 , pp. 6082
- Hernandez, N.C.¹ Sanz, J.F.²

202
- 0343867257
- Saint-Martin H., Hernandez-Cobos J., Bernal-Uruchurtu M.I., Ortega-Blake I., Berendsen H.J.C. J. Chem. Phys. 113:2000;10899.
- (2000) J. Chem. Phys. , vol.113 , pp. 10899
- Saint-Martin, H.¹ Hernandez-Cobos, J.² Bernal-Uruchurtu, M.I.³ Ortega-Blake, I.⁴ Berendsen, H.J.C.⁵

203
- 0034732294
- Chaban G.M., Jung J.O., Gerber R.B. J. Phys. Chem. A. 104:2000;2772.
- (2000) J. Phys. Chem. A , vol.104 , pp. 2772
- Chaban, G.M.¹ Jung, J.O.² Gerber, R.B.³

204
- 0033685726
- Grabowski S.J. J. Phys. Chem. A. 104:2000;5551.
- (2000) J. Phys. Chem. A , vol.104 , pp. 5551
- Grabowski, S.J.¹

205
- 0034246591
- Binning R.C. jr., Ishikawa Y. J. Phys. Chem. A. 104:2000;8097.
- (2000) J. Phys. Chem. A , vol.104 , pp. 8097
- Binning Jr., R.C.¹ Ishikawa, Y.²

206
- 0034299417
- Remer L.C., Jensen J.H. J. Phys. Chem. A. 104:2000;9266.
- (2000) J. Phys. Chem. A , vol.104 , pp. 9266
- Remer, L.C.¹ Jensen, J.H.²

207
- 0034407620
- Torheyden M., Jansen G. Theoret. Chem. Accounts. 104:2000;370.
- (2000) Theoret. Chem. Accounts , vol.104 , pp. 370
- Torheyden, M.¹ Jansen, G.²

208
- 0034599853
- Scheiner S., Gu Y., Kar T. J. Mol. Struct. (Theochem.). 500:2000;441.
- (2000) J. Mol. Struct. (Theochem.) , vol.500 , pp. 441
- Scheiner, S.¹ Gu, Y.² Kar, T.³

209
- 0000030610
- Grabowski S.J. Chem. Phys. Letts. 338:2001;361.
- (2001) Chem. Phys. Letts. , vol.338 , pp. 361
- Grabowski, S.J.¹

210
- 0035947530
- Yamaguchi Y., Yasutake N., Nagaoka M. Chem. Phys. Letts. 340:2001;129.
- (2001) Chem. Phys. Letts. , vol.340 , pp. 129
- Yamaguchi, Y.¹ Yasutake, N.² Nagaoka, M.³

211
- 0035868369
- Hamza A., Mayer I. Int. J. Quantum Chem. 82:2001;53.
- (2001) Int. J. Quantum Chem. , vol.82 , pp. 53
- Hamza, A.¹ Mayer, I.²

212
- 0035809631
- Hamza A., Mayer I. Int. J. Quantum Chem. 82:2001;105.
- (2001) Int. J. Quantum Chem. , vol.82 , pp. 105
- Hamza, A.¹ Mayer, I.²

213
- 0000684752
- Paisz B., Salvador P., Csaszar A.G., Duran M., Suhai S. J. Comput. Chem. 22:2001;196.
- (2001) J. Comput. Chem. , vol.22 , pp. 196
- Paisz, B.¹ Salvador, P.² Csaszar, A.G.³ Duran, M.⁴ Suhai, S.⁵

214
- 20644461001
- Salvador P., Paisz B., Duran M., Suhai S. J. Comput. Chem. 22:2001;765.
- (2001) J. Comput. Chem. , vol.22 , pp. 765
- Salvador, P.¹ Paisz, B.² Duran, M.³ Suhai, S.⁴

215
- 0035870732
- Popelier P.L.A., Kosov D.S. J. Chem. Phys. 114:2001;6539.
- (2001) J. Chem. Phys. , vol.114 , pp. 6539
- Popelier, P.L.A.¹ Kosov, D.S.²

216
- 0035826588
- Panhuis M., Popelier P.L.A., Munn R.W., Angyan J.G. J. Chem. Phys. 114:2001;7951.
- (2001) J. Chem. Phys. , vol.114 , pp. 7951
- Panhuis, M.¹ Popelier, P.L.A.² Munn, R.W.³ Angyan, J.G.⁴

217
- 0035872830
- Kowal M., Roszak S., Leszczynski J. J. Chem. Phys. 114:2001;8251.
- (2001) J. Chem. Phys. , vol.114 , pp. 8251
- Kowal, M.¹ Roszak, S.² Leszczynski, J.³

218
- 0035881108
- Pard C.-Y., Kim Y., Kim Y. J. Chem. Phys. 115:2001;2926.
- (2001) J. Chem. Phys. , vol.115 , pp. 2926
- Pard, C.-Y.¹ Kim, Y.² Kim, Y.³

219
- 0035934135
- Nagata T., Takahashi O., Saito K., Iwata S. J. Chem. Phys. 115:2001;3553.
- (2001) J. Chem. Phys. , vol.115 , pp. 3553
- Nagata, T.¹ Takahashi, O.² Saito, K.³ Iwata, S.⁴

220
- 0035819295
- Grabowski S.J., Pogorzelska M. J. Mol. Struct. 559:2001;201.
- (2001) J. Mol. Struct. , vol.559 , pp. 201
- Grabowski, S.J.¹ Pogorzelska, M.²

221
- 0035134013
- Williams H.L., Chabalowski C.F. J. Chem. Phys. 105:2001;646.
- (2001) J. Chem. Phys. , vol.105 , pp. 646
- Williams, H.L.¹ Chabalowski, C.F.²

222
- 0001642679
- Zhi-Ru L., Di W., Ze-Sheng L., Xu-Ri H., Tao F.-M., Chia-Chung S. J. Phys. Chem. A. 105:2001;1163.
- (2001) J. Phys. Chem. A , vol.105 , pp. 1163
- Zhi-Ru, L.¹ Di, W.² Ze-Sheng, L.³ Xu-Ri, H.⁴ Tao, F.-M.⁵ Chia-Chung, S.⁶

223
- 0035799953
- Simon S., Bertran J., Sodupe M. J. Phys. Chem. A. 105:2001;4359.
- (2001) J. Phys. Chem. A , vol.105 , pp. 4359
- Simon, S.¹ Bertran, J.² Sodupe, M.³

224
- 0035818123
- Popelier P.L.A., Joubert L., Kosov D.S. J. Phys. Chem. A. 105:2001;8254.
- (2001) J. Phys. Chem. A , vol.105 , pp. 8254
- Popelier, P.L.A.¹ Joubert, L.² Kosov, D.S.³

225
- 0035969760
- Grabowski S.J. J. Phys. Chem. A. 105:2001;10739.
- (2001) J. Phys. Chem. A , vol.105 , pp. 10739
- Grabowski, S.J.¹

226
- 0035837952
- Eckart U. J. Sadlej, Mol. Phys. 99:2001;735.
- (2001) J. Sadlej, Mol. Phys. , vol.99 , pp. 735
- Eckart, U.¹

227
- 0035733257
- Hamza A., Vibok A., Halasz G.J., Mayer I. Theoret. Chem. Accounts. 107:2001;38.
- (2001) Theoret. Chem. Accounts , vol.107 , pp. 38
- Hamza, A.¹ Vibok, A.² Halasz, G.J.³ Mayer, I.⁴

228
- 0000932507
- Honda K., Kitaura K., Nishimoto K. Bull. Chem. Soc. Japan. 65:1992;3122.
- (1992) Bull. Chem. Soc. Japan , vol.65 , pp. 3122
- Honda, K.¹ Kitaura, K.² Nishimoto, K.³

229
- 0007663532
- Hannachi Y., Silvi B., Bouteiller Y. J. Chem. Phys. 97:1992;1911.
- (1992) J. Chem. Phys. , vol.97 , pp. 1911
- Hannachi, Y.¹ Silvi, B.² Bouteiller, Y.³

230
- 4344715347
- Tolosa S., Manzano F., Ojalvo E.A., Olivares del Valle F.J. J. Mol. Struct. (Theochem.). 254:1992;219.
- (1992) J. Mol. Struct. (Theochem.) , vol.254 , pp. 219
- Tolosa, S.¹ Manzano, F.² Ojalvo, E.A.³ Del Valle, F.J.O.⁴

231
- 0000707625
- Wales D.J. J. Am. Chem. Soc. 115:1993;11191.
- (1993) J. Am. Chem. Soc. , vol.115 , pp. 11191
- Wales, D.J.¹

232
- 36449000486
- Gutowski M., Chalasinski G. J. Chem. Phys. 98:1993;5540.
- (1993) J. Chem. Phys. , vol.98 , pp. 5540
- Gutowski, M.¹ Chalasinski, G.²

233
- 36449008374
- Romero J.A.M., Sanz J.F. J. Chem. Phys. 99:1993;1255.
- (1993) J. Chem. Phys. , vol.99 , pp. 1255
- Romero, J.A.M.¹ Sanz, J.F.²

234
- 0001861503
- Quack M., Stohner R., Suhm M.A. J. Mol. Struct. 294:1993;33.
- (1993) J. Mol. Struct. , vol.294 , pp. 33
- Quack, M.¹ Stohner, R.² Suhm, M.A.³

235
- 3843122283
- Turi L., Dannenberg J.J. J. Phys. Chem. 97:1993;2488.
- (1993) J. Phys. Chem. , vol.97 , pp. 2488
- Turi, L.¹ Dannenberg, J.J.²

236
- 0012051292
- Racine S.C., Davidson E.R. J. Phys. Chem. 97:1993;6367.
- (1993) J. Phys. Chem. , vol.97 , pp. 6367
- Racine, S.C.¹ Davidson, E.R.²

237
- 4344658837
- Nemukhin A.V. Russ. J. Phys. Chem. 66:1993;2.
- (1993) Russ. J. Phys. Chem. , vol.66 , pp. 2
- Nemukhin, A.V.¹

238
- 3943087369
- Alagona G., Cammi R., Ghio C., Tomasi J. Theoret. Chim. Acta. 85:1993;167.
- (1993) Theoret. Chim. Acta , vol.85 , pp. 167
- Alagona, G.¹ Cammi, R.² Ghio, C.³ Tomasi, J.⁴

239
- 0039144195
- de Almeida W.B., Barker D.A., Hinchliffe A., Craw J.S. J. Mol. Struct. (Theochem.). 285:1993;277.
- (1993) J. Mol. Struct. (Theochem.) , vol.285 , pp. 277
- De Almeida, W.B.¹ Barker, D.A.² Hinchliffe, A.³ Craw, J.S.⁴

240
- 4243768822
- Novoa J.J., Planas M., Whangbo M.-H. Chem. Phys. Letts. 225:1994;240.
- (1994) Chem. Phys. Letts. , vol.225 , pp. 240
- Novoa, J.J.¹ Planas, M.² Whangbo, M.-H.³

241
- 0000546422
- Chattaraj P.K., von R. Schleyer P. J. Am. Chem. Soc. 116:1994;1067.
- (1994) J. Am. Chem. Soc. , vol.116 , pp. 1067
- Chattaraj, P.K.¹ Schleyer, P.V.R.²

242
- 0001188539
- Rendell A.P., Lee T.J. J. Chem. Phys. 101:1994;400.
- (1994) J. Chem. Phys. , vol.101 , pp. 400
- Rendell, A.P.¹ Lee, T.J.²

243
- 0002573082
- Karpfen A., Yanovitski O. J. Mol. Struct. (Theochem.). 307:1994;81.
- (1994) J. Mol. Struct. (Theochem.) , vol.307 , pp. 81
- Karpfen, A.¹ Yanovitski, O.²

244
- 4344698844
- Tolosa S., Olivares del Valle F.J. J. Mol. Struct. (Theochem.). 312:1994;109.
- (1994) J. Mol. Struct. (Theochem.) , vol.312 , pp. 109
- Tolosa, S.¹ Del Valle, F.J.O.²

245
- 4344574511
- Liedl K.R., Kroemer R.T., Rode B.M. Chem. Phys. Letts. 246:1995;445.
- (1995) Chem. Phys. Letts. , vol.246 , pp. 445
- Liedl, K.R.¹ Kroemer, R.T.² Rode, B.M.³

246
- 0000012267
- Chandler W.D., Johnson K.E., Campbell J.L.E. Inorg. Chem. 34:1995;4943.
- (1995) Inorg. Chem. , vol.34 , pp. 4943
- Chandler, W.D.¹ Johnson, K.E.² Campbell, J.L.E.³

247
- 0009701070
- Peterson K.A., Dunning T.H. J. Chem. Phys. 102:1995;2032.
- (1995) J. Chem. Phys. , vol.102 , pp. 2032
- Peterson, K.A.¹ Dunning, T.H.²

248
- 4344710226
- Burcl R., Chalasinski G., Bukowski R., Szczesniak M.M. J. Chem. Phys. 103:1995;498.
- (1995) J. Chem. Phys. , vol.103 , pp. 498
- Burcl, R.¹ Chalasinski, G.² Bukowski, R.³ Szczesniak, M.M.⁴

249
- 0001507547
- Williams H.L., Szalewicz K., Moszynski R., Jeziorski B. J. Chem. Phys. 103:1995;4586.
- (1995) J. Chem. Phys. , vol.103 , pp. 4586
- Williams, H.L.¹ Szalewicz, K.² Moszynski, R.³ Jeziorski, B.⁴

250
- 4344598722
- Collins C.L., Morihushi K., Yamaguchi Y., Schaefer H.F. III. J. Chem. Phys. 103:1995;6057.
- (1995) J. Chem. Phys , vol.103 , pp. 6057
- Collins, C.L.¹ Morihushi, K.² Yamaguchi, Y.³ Schaefer III, H.F.⁴

251
- 0030580019
- Klopper W., Quack M., Suhm M.A. Chem. Phys. Letts. 261:1996;35.
- (1996) Chem. Phys. Letts. , vol.261 , pp. 35
- Klopper, W.¹ Quack, M.² Suhm, M.A.³

252
- 0031551556
- Ramaekers R., Smith D.M.A., Elkadi Y., Adamowicz L. Chem. Phys. Letts. 277:1997;269.
- (1997) Chem. Phys. Letts. , vol.277 , pp. 269
- Ramaekers, R.¹ Smith, D.M.A.² Elkadi, Y.³ Adamowicz, L.⁴

253
- 0000691687
- Paizs B., Suhai S. J. Comput. Chem. 18:1997;694.
- (1997) J. Comput. Chem. , vol.18 , pp. 694
- Paizs, B.¹ Suhai, S.²

254
- 0345811545
- Maeker C., von R. Schleyer P., Liedl K.R., Ha T.-K., Quack M., Suhm M.A. J. Comput. Chem. 18:1997;1695.
- (1997) J. Comput. Chem. , vol.18 , pp. 1695
- Maeker, C.¹ Schleyer, P.V.R.² Liedl, K.R.³ Ha, T.-K.⁴ Quack, M.⁵ Suhm, M.A.⁶

255
- 0001583478
- Tschumper G.S., Yamaguchi Y., Schaefer H.F. III. J. Chem. Phys. 106:1997;9627.
- (1997) J. Chem. Phys. , vol.106 , pp. 9627
- Tschumper, G.S.¹ Yamaguchi, Y.² Schaefer III, H.F.³

256
- 0000541443
- Gutowski M., Skurski P. J. Chem. Phys. 107:1997;2968.
- (1997) J. Chem. Phys. , vol.107 , pp. 2968
- Gutowski, M.¹ Skurski, P.²

257
- 0000419427
- Gadre S.R., Bhadane P.K. J. Chem. Phys. 107:1997;5625.
- (1997) J. Chem. Phys. , vol.107 , pp. 5625
- Gadre, S.R.¹ Bhadane, P.K.²

258
- 0032523297
- Burda J.V., Hobza P., Zahradnik R. Chem. Phys. Letts. 288:1998;20.
- (1998) Chem. Phys. Letts. , vol.288 , pp. 20
- Burda, J.V.¹ Hobza, P.² Zahradnik, R.³

259
- 0000483346
- Grigorenko B.L., Nemukhin A.V., Apkarian V.A. J. Chem. Phys. 108:1998;4413.
- (1998) J. Chem. Phys. , vol.108 , pp. 4413
- Grigorenko, B.L.¹ Nemukhin, A.V.² Apkarian, V.A.³

260
- 0000347765
- Klopper W., Quack M., Suhm M.A. J. Chem. Phys. 108:1998;10096.
- (1998) J. Chem. Phys. , vol.108 , pp. 10096
- Klopper, W.¹ Quack, M.² Suhm, M.A.³

261
- 0000787369
- Hodges M.P., Stone A.J., Lago E.C. J. Phys. Chem. A. 102:1998;2455.
- (1998) J. Phys. Chem. A , vol.102 , pp. 2455
- Hodges, M.P.¹ Stone, A.J.² Lago, E.C.³

262
- 0000860017
- Silvi B., Wieczorek R., Latajka Z., Alikhani M.E., Dkhissi A., Bouteiller Y. J. Chem. Phys. 111:1999;6671.
- (1999) J. Chem. Phys. , vol.111 , pp. 6671
- Silvi, B.¹ Wieczorek, R.² Latajka, Z.³ Alikhani, M.E.⁴ Dkhissi, A.⁵ Bouteiller, Y.⁶

263
- 0000052876
- Tschumper G.S., Kelty M.D., Schaefer H.F. III. Mol. Phys. 96:1999;493.
- (1999) Mol. Phys. , vol.96 , pp. 493
- Tschumper, G.S.¹ Kelty, M.D.² Schaefer III, H.F.³

264
- 0033199846
- Tuma C., Boese A.D., Handy N.C. Phys. Chem. Chem. Phys. 1:1999;3939.
- (1999) Phys. Chem. Chem. Phys. , vol.1 , pp. 3939
- Tuma, C.¹ Boese, A.D.² Handy, N.C.³

265
- 0006984866
- Mladenovic M., Lewerenz M. Chem. Phys. Letts. 321:2000;135.
- (2000) Chem. Phys. Letts. , vol.321 , pp. 135
- Mladenovic, M.¹ Lewerenz, M.²

266
- 0000163628
- Espinosa E., Alkorta I., Rozas I., Elguero J., Molins E. Chem. Phys. Letts. 336:2001;457.
- (2001) Chem. Phys. Letts. , vol.336 , pp. 457
- Espinosa, E.¹ Alkorta, I.² Rozas, I.³ Elguero, J.⁴ Molins, E.⁵

267
- 0035478979
- Rankin K.N., Boyd R.J. J. Comput. Chem. 22:2001;1590.
- (2001) J. Comput. Chem. , vol.22 , pp. 1590
- Rankin, K.N.¹ Boyd, R.J.²

268
- 0035307538
- Rincon L., Almeida R., Garcia-Aldea D., Riega H.D. J. Chem. Phys. 114:2001;5552.
- (2001) J. Chem. Phys. , vol.114 , pp. 5552
- Rincon, L.¹ Almeida, R.² Garcia-Aldea, D.³ Riega, H.D.⁴

269
- 0035934508
- Pecul M., Sadlej J., Leszczynski J. J. Chem. Phys. 115:2001;5498.
- (2001) J. Chem. Phys. , vol.115 , pp. 5498
- Pecul, M.¹ Sadlej, J.² Leszczynski, J.³

270
- 0035805503
- Ahlberg P., Karlsson A., Goeppert A., Lill S.O.N., Diner P., Sommer J. Chem. Eur. J. 7:2001;1936.
- (2001) Chem. Eur. J. , vol.7 , pp. 1936
- Ahlberg, P.¹ Karlsson, A.² Goeppert, A.³ Lill, S.O.N.⁴ Diner, P.⁵ Sommer, J.⁶

271
- 0000502489
- de Oliviera G., Dykstra C.E. Chem. Phys. Letts. 243:1995;158.
- (1995) Chem. Phys. Letts. , vol.243 , pp. 158
- De Oliviera, G.¹ Dykstra, C.E.²

272
- 0001358401
- Sodupe M., Oliva A., Bertran J. J. Am. Chem. Soc. 117:1995;8416.
- (1995) J. Am. Chem. Soc. , vol.117 , pp. 8416
- Sodupe, M.¹ Oliva, A.² Bertran, J.³

273
- 4344631416
- Augsberger J.D., Dykstra C.E. Spectrochim. Acta, Part A. 48:1992;1767.
- (1992) Spectrochim. Acta, Part A , vol.48 , pp. 1767
- Augsberger, J.D.¹ Dykstra, C.E.²

274
- 1542511307
- Gomez P.C., Bunker P.R., Karpfen A., Lischka H. J. Mol. Spectrosc. 166:1994;441.
- (1994) J. Mol. Spectrosc. , vol.166 , pp. 441
- Gomez, P.C.¹ Bunker, P.R.² Karpfen, A.³ Lischka, H.⁴

275
- 0040912310
- Gomez P.C., Bunker P.R. J. Mol. Spectrosc. 168:1994;507.
- (1994) J. Mol. Spectrosc. , vol.168 , pp. 507
- Gomez, P.C.¹ Bunker, P.R.²

276
- 0000771481
- Tao F.-M., Klemperer W. J. Chem. Phys. 103:1995;950.
- (1995) J. Chem. Phys. , vol.103 , pp. 950
- Tao, F.-M.¹ Klemperer, W.²

277
- 0000455283
- Gill P.M.W. Mol. Phys. 89:1996;433.
- (1996) Mol. Phys. , vol.89 , pp. 433
- Gill, P.M.W.¹

278
- 0031569245
- Latajka Z., Scheiner S. Chem. Phys. 216:1997;37.
- (1997) Chem. Phys. , vol.216 , pp. 37
- Latajka, Z.¹ Scheiner, S.²

279
- 0003111349
- Meredith A.W., Ming L., Nordholm S. Chem. Phys. 220:1997;63.
- (1997) Chem. Phys. , vol.220 , pp. 63
- Meredith, A.W.¹ Ming, L.² Nordholm, S.³

280
- 0001452434
- Herrebout W.A., Everaert G.P., van der Veken B.J., Bulanin M.O. J. Chem. Phys. 107:1997;8886.
- (1997) J. Chem. Phys. , vol.107 , pp. 8886
- Herrebout, W.A.¹ Everaert, G.P.² Van Der Veken, B.J.³ Bulanin, M.O.⁴

281
- 0000580102
- Hermida-Ramon J.M., Engkvist O., Karlstrom G. J. Comput. Chem. 19:1998;1816.
- (1998) J. Comput. Chem. , vol.19 , pp. 1816
- Hermida-Ramon, J.M.¹ Engkvist, O.² Karlstrom, G.³

282
- 0003722102
- San Francisco: Freeman
- Pimentel G.C., McClellan A.L. The Hydrogen Bond. 1960;Freeman, San Francisco. pp. 70, 71, 82-96, 101, 102, 213.
- (1960) The Hydrogen Bond , pp. 70
- Pimentel, G.C.¹ McClellan, A.L.²

283
- 0034317323
- Hobza P., Havlas Z. Chem. Rev. 100:2000;4253.
- (2000) Chem. Rev. , vol.100 , pp. 4253
- Hobza, P.¹ Havlas, Z.²

284
- 11644266970
- Mulliken R.S. J. Chem. Phys. 23:1955;1833.
- (1955) J. Chem. Phys. , vol.23 , pp. 1833
- Mulliken, R.S.¹

285
- 36849132880
- Badger R.M., Bauer S.H. J. Chem. Phys. 5:1937;839.
- (1937) J. Chem. Phys. , vol.5 , pp. 839
- Badger, R.M.¹ Bauer, S.H.²

286
- 0038291893
- Badger R.M. J. Chem. Phys. 8:1940;288.
- (1940) J. Chem. Phys. , vol.8 , pp. 288
- Badger, R.M.¹

287
- 0000386733
- Happ M., Winnewisser G., Yamada K.M.T. J. Mol. Spectrosc. 164:1994;311.
- (1994) J. Mol. Spectrosc. , vol.164 , pp. 311
- Happ, M.¹ Winnewisser, G.² Yamada, K.M.T.³

288
- 0000706986
- Momose T., Miki M., Wakabayashi T., Shida T., Chan M.-C., Lee S.S., Oka T. J. Chem. Phys. 107:1997;7707.
- (1997) J. Chem. Phys. , vol.107 , pp. 7707
- Momose, T.¹ Miki, M.² Wakabayashi, T.³ Shida, T.⁴ Chan, M.-C.⁵ Lee, S.S.⁶ Oka, T.⁷

289
- 0031273989
- Momose T., Katsuki H., Hoshina H., Sogoshi N., Wakabayashi T., Shida T. J. Chem. Phys. 107:1997;7717.
- (1997) J. Chem. Phys. , vol.107 , pp. 7717
- Momose, T.¹ Katsuki, H.² Hoshina, H.³ Sogoshi, N.⁴ Wakabayashi, T.⁵ Shida, T.⁶

290
- 0002004434
- Momose T., Shida T. Bull. Chem. Soc. Japan. 71:1998;1.
- (1998) Bull. Chem. Soc. Japan , vol.71 , pp. 1
- Momose, T.¹ Shida, T.²

291
- 0001693284
- Hoshina H., Wakabayashi T., Momose T., Shida T. J. Chem. Phys. 110:1999;5728.
- (1999) J. Chem. Phys. , vol.110 , pp. 5728
- Hoshina, H.¹ Wakabayashi, T.² Momose, T.³ Shida, T.⁴

292
- 0001727929
- Tam S., Fajardo M.E., Katsuki H., Hoshina H., Wakabayashi T., Momose T. J. Chem. Phys. 111:1999;4191.
- (1999) J. Chem. Phys. , vol.111 , pp. 4191
- Tam, S.¹ Fajardo, M.E.² Katsuki, H.³ Hoshina, H.⁴ Wakabayashi, T.⁵ Momose, T.⁶

293
- 0034609423
- Govender M.G., Ford T.A. J. Mol. Struct. 550-551:2000;445.
- (2000) J. Mol. Struct. , vol.550-551 , pp. 445
- Govender, M.G.¹ Ford, T.A.²

294
- 0000548331
- Tsuzuki S., Uchimaru T., Tanabe K., Kuwajima S. J. Phys. Chem. 98:1994;1830.
- (1994) J. Phys. Chem. , vol.98 , pp. 1830
- Tsuzuki, S.¹ Uchimaru, T.² Tanabe, K.³ Kuwajima, S.⁴

295
- 0001280462
- Tsuzuki S., Uchimaru T., Tanabe K. J. Mol. Struct. (Theochem.). 307:1994;107.
- (1994) J. Mol. Struct. (Theochem.) , vol.307 , pp. 107
- Tsuzuki, S.¹ Uchimaru, T.² Tanabe, K.³

296
- 0001409438
- Yan X., Wang S., Hodoscek M., Milne G.W.A. J. Mol. Struct. (Theochem.). 309:1994;279.
- (1994) J. Mol. Struct. (Theochem.) , vol.309 , pp. 279
- Yan, X.¹ Wang, S.² Hodoscek, M.³ Milne, G.W.A.⁴

297
- 0000888128
- Nagy J., Weaver D.F., Smith V.H. Mol. Phys. 85:1995;1179.
- (1995) Mol. Phys. , vol.85 , pp. 1179
- Nagy, J.¹ Weaver, D.F.² Smith, V.H.³

298
- 0029357734
- Palmer B.J., Anchell J.L. J. Phys. Chem. 99:1995;12239.
- (1995) J. Phys. Chem. , vol.99 , pp. 12239
- Palmer, B.J.¹ Anchell, J.L.²

299
- 4243887773
- Yin D., MacKerell A.D. jr. J. Phys. Chem. 100:1996;2588.
- (1996) J. Phys. Chem. , vol.100 , pp. 2588
- Yin, D.¹ MacKerell Jr., A.D.²

300
- 0032562330
- Tsuzuki S., Uchimaru T., Tanabe K. Chem. Phys. Letts. 287:1998;202.
- (1998) Chem. Phys. Letts. , vol.287 , pp. 202
- Tsuzuki, S.¹ Uchimaru, T.² Tanabe, K.³

301
- 0032063329
- Tsuzuki S., Uchimaru T., Tanabe K. Chem. Phys. Letts. 287:1998;327.
- (1998) Chem. Phys. Letts. , vol.287 , pp. 327
- Tsuzuki, S.¹ Uchimaru, T.² Tanabe, K.³

302
- 0001040236
- Fraschini E., Stone A.J. J. Comput. Chem. 19:1998;847.
- (1998) J. Comput. Chem. , vol.19 , pp. 847
- Fraschini, E.¹ Stone, A.J.²

303
- 11544305804
- Tsuzuki S., Uchimaru T., Mikami M., Tanabe K. J. Phys. Chem. A. 102:1998;2091.
- (1998) J. Phys. Chem. A , vol.102 , pp. 2091
- Tsuzuki, S.¹ Uchimaru, T.² Mikami, M.³ Tanabe, K.⁴

304
- 0000158516
- Rowley R.L., Pakkanen T. J. Chem. Phys. 110:1999;3368.
- (1999) J. Chem. Phys. , vol.110 , pp. 3368
- Rowley, R.L.¹ Pakkanen, T.²

305
- 0002824274
- Snels M., Fantoni R. Chem. Phys. 109:1986;67.
- (1986) Chem. Phys. , vol.109 , pp. 67
- Snels, M.¹ Fantoni, R.²

306
- 0035857237
- Li L., Graham J.T., Weltner W. jr. J. Phys. Chem. A. 105:2001;11018.
- (2001) J. Phys. Chem. A , vol.105 , pp. 11018
- Li, L.¹ Graham, J.T.² Weltner Jr., W.³

307
- 36849117504
- Price W.C. J. Chem. Phys. 16:1948;894.
- (1948) J. Chem. Phys. , vol.16 , pp. 894
- Price, W.C.¹

308
- 4344579869
- Sudhakar P.V., Lammertsma K., von R. Schleyer P. J. Mol. Struct. (Theochem.). 255:1992;309.
- (1992) J. Mol. Struct. (Theochem.) , vol.255 , pp. 309
- Sudhakar, P.V.¹ Lammertsma, K.² Schleyer, P.V.R.³

309
- 0003125093
- Kar T., Scheiner S. J. Mol. Struct. (Theochem.). 370:1996;45.
- (1996) J. Mol. Struct. (Theochem.) , vol.370 , pp. 45
- Kar, T.¹ Scheiner, S.²

310
- 0001540253
- Rozas I., Alkorta I., Elguero J. J. Phys. Chem. A. 101:1997;4236.
- (1997) J. Phys. Chem. A , vol.101 , pp. 4236
- Rozas, I.¹ Alkorta, I.² Elguero, J.³

311
- 0000825738
- Alkorta I., Rozas I., Elguero J. J. Mol. Struct. (Theochem.). 452:1998;227.
- (1998) J. Mol. Struct. (Theochem.) , vol.452 , pp. 227
- Alkorta, I.¹ Rozas, I.² Elguero, J.³

312
- 0010729736
- Bendazzoli G.L., Magnasco V., Figari R., Rui M. Chem. Phys. Letts. 330:2000;146.
- (2000) Chem. Phys. Letts. , vol.330 , pp. 146
- Bendazzoli, G.L.¹ Magnasco, V.² Figari, R.³ Rui, M.⁴

313
- 0034614542
- Sannigrahi A.B., Kar T. J. Mol. Struct. (Theochem.). 496:2000;1.
- (2000) J. Mol. Struct. (Theochem.) , vol.496 , pp. 1
- Sannigrahi, A.B.¹ Kar, T.²

314
- 0035449259
- Bertolus M., Brenner V., Millie P. J. Chem. Phys. 115:2001;4070.
- (2001) J. Chem. Phys. , vol.115 , pp. 4070
- Bertolus, M.¹ Brenner, V.² Millie, P.³

315
- 0001638189
- Tague T.J. jr., Andrews L. J. Am. Chem. Soc. 115:1993;12111.
- (1993) J. Am. Chem. Soc. , vol.115 , pp. 12111
- Tague Jr., T.J.¹ Andrews, L.²

316
- 0542418800
- Polasek M., Zahradnik R. Int. J. Quantum Chem. 54:1995;93.
- (1995) Int. J. Quantum Chem. , vol.54 , pp. 93
- Polasek, M.¹ Zahradnik, R.²

317
- 0000510699
- Mire L.W., Wheeler S.D., Wagenseller E., Marynick D.S. Inorg. Chem. 37:1998;3099.
- (1998) Inorg. Chem. , vol.37 , pp. 3099
- Mire, L.W.¹ Wheeler, S.D.² Wagenseller, E.³ Marynick, D.S.⁴

318
- 0000439038
- Bader R.F.W., Legare D.A. Can. J. Chem. 70:1992;657.
- (1992) Can. J. Chem. , vol.70 , pp. 657
- Bader, R.F.W.¹ Legare, D.A.²

319
- 0000130786
- Shen M., Schaefer H.F. III. J. Chem. Phys. 96:1992;2868.
- (1992) J. Chem. Phys. , vol.96 , pp. 2868
- Shen, M.¹ Schaefer III, H.F.²

320
- 0000902964
- Sannigrahi A.B., Nandi P.K., Behera L., Kar T. J. Mol. Struct. (Theochem.). 276:1992;259.
- (1992) J. Mol. Struct. (Theochem.) , vol.276 , pp. 259
- Sannigrahi, A.B.¹ Nandi, P.K.² Behera, L.³ Kar, T.⁴

321
- 84987082480
- Magers D.H., Hood R.B., Leszczynski J. Int. J. Quantum Chem., Quantum Chem. Symp. 28:1994;579.
- (1994) Int. J. Quantum Chem., Quantum Chem. Symp. , vol.28 , pp. 579
- Magers, D.H.¹ Hood, R.B.² Leszczynski, J.³

322
- 0000619078
- Barone V., Orlandini L., Adamo C. J. Phys. Chem. 98:1994;13185.
- (1994) J. Phys. Chem. , vol.98 , pp. 13185
- Barone, V.¹ Orlandini, L.² Adamo, C.³

323
- 0001434171
- Tague T.J. jr., Andrews L. J. Am. Chem. Soc. 116:1994;4970.
- (1994) J. Am. Chem. Soc. , vol.116 , pp. 4970
- Tague Jr., T.J.¹ Andrews, L.²

324
- 0000689288
- Vijay A., Sathyanarayana D.N. J. Mol. Struct. 351:1995;215.
- (1995) J. Mol. Struct. , vol.351 , pp. 215
- Vijay, A.¹ Sathyanarayana, D.N.²

325
- 0039301603
- Sano T., Matsuoka O. Bull. Chem. Soc. Japan. 69:1996;2195.
- (1996) Bull. Chem. Soc. Japan , vol.69 , pp. 2195
- Sano, T.¹ Matsuoka, O.²

326
- 0030165709
- Nalewajski R.F., Mrozek J., Mazur G. Can. J. Chem. 74:1996;1121.
- (1996) Can. J. Chem. , vol.74 , pp. 1121
- Nalewajski, R.F.¹ Mrozek, J.² Mazur, G.³

327
- 0000537945
- Bochicchio R.C., Ponec R., Uhlik F. Inorg. Chem. 36:1997;5363.
- (1997) Inorg. Chem. , vol.36 , pp. 5363
- Bochicchio, R.C.¹ Ponec, R.² Uhlik, F.³

328
- 0030880303
- Rablen P.R. J. Am. Chem. Soc. 119:1997;8350.
- (1997) J. Am. Chem. Soc. , vol.119 , pp. 8350
- Rablen, P.R.¹

329
- 0000835329
- Thorsteinsson T., Cooper D.L., Gerratt J., Raimondi M. Theoret. Chim. Acta. 95:1997;131.
- (1997) Theoret. Chim. Acta , vol.95 , pp. 131
- Thorsteinsson, T.¹ Cooper, D.L.² Gerratt, J.³ Raimondi, M.⁴

330
- 0000461319
- Ponec R., Uhlik F. J. Mol. Struct. (Theochem.). 391:1997;159.
- (1997) J. Mol. Struct. (Theochem.) , vol.391 , pp. 159
- Ponec, R.¹ Uhlik, F.²

331
- 0032559107
- Clementi E., Corongiu G. Chem. Phys. Letts. 282:1998;335.
- (1998) Chem. Phys. Letts. , vol.282 , pp. 335
- Clementi, E.¹ Corongiu, G.²

332
- 0001264076
- Stanton J.F., Gauss J. J. Chem. Phys. 108:1998;9218.
- (1998) J. Chem. Phys. , vol.108 , pp. 9218
- Stanton, J.F.¹ Gauss, J.²

333
- 0001223036
- Yamasaki T., Goddard W.A. J. Phys. Chem. A. 102:1998;2919.
- (1998) J. Phys. Chem. A , vol.102 , pp. 2919
- Yamasaki, T.¹ Goddard, W.A.²

334
- 0000046848
- Fradera X., Austen M.A., Bader R.F.W. J. Phys. Chem. A. 103:1999;304.
- (1999) J. Phys. Chem. A , vol.103 , pp. 304
- Fradera, X.¹ Austen, M.A.² Bader, R.F.W.³

335
- 0034492214
- Cullen J.M. Can. J. Chem. 78:2000;1575.
- (2000) Can. J. Chem. , vol.78 , pp. 1575
- Cullen, J.M.¹

336
- 0141507703
- Ponec R., Torre A., Lain L., Bochicchio R.C. Int. J. Quantum Chem. 77:2000;710.
- (2000) Int. J. Quantum Chem. , vol.77 , pp. 710
- Ponec, R.¹ Torre, A.² Lain, L.³ Bochicchio, R.C.⁴

337
- 0034604357
- Schmider H.L., Becke A.D. J. Mol. Struct. (Theochem.). 527:2000;51.
- (2000) J. Mol. Struct. (Theochem.) , vol.527 , pp. 51
- Schmider, H.L.¹ Becke, A.D.²

338
- 0034604387
- Thakkar A.J., Sharma B.S. J. Mol. Struct. (Theochem.). 527:2000;221.
- (2000) J. Mol. Struct. (Theochem.) , vol.527 , pp. 221
- Thakkar, A.J.¹ Sharma, B.S.²

339
- 0035589545
- Bochicchio R., Ponec R., Torre A., Lain L. Theoret. Chem. Accounts. 105:2001;292.
- (2001) Theoret. Chem. Accounts , vol.105 , pp. 292
- Bochicchio, R.¹ Ponec, R.² Torre, A.³ Lain, L.⁴

340
- 0000184724
- Kaupp M., von R. Schleyer P. J. Am. Chem. Soc. 115:1993;11202.
- (1993) J. Am. Chem. Soc. , vol.115 , pp. 11202
- Kaupp, M.¹ Schleyer, P.V.R.²

341
- 0000517988
- Tague T.J. jr., Andrews L. J. Phys. Chem. 98:1994;8611.
- (1994) J. Phys. Chem. , vol.98 , pp. 8611
- Tague Jr., T.J.¹ Andrews, L.²

342
- 0001025096
- Willis B.G., Jensen K.F. J. Phys. Chem. A. 102:1998;2613.
- (1998) J. Phys. Chem. A , vol.102 , pp. 2613
- Willis, B.G.¹ Jensen, K.F.²

343
- 0001418229
- Cioslowski J., Liu G., Piskorz P. J. Phys. Chem. A. 102:1998;9890.
- (1998) J. Phys. Chem. A , vol.102 , pp. 9890
- Cioslowski, J.¹ Liu, G.² Piskorz, P.³

344
- 0037470968
- Andrews L., Wang X. Science. 299:2003;2049.
- (2003) Science , vol.299 , pp. 2049
- Andrews, L.¹ Wang, X.²

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