SCOPUS 정보 검색 플랫폼

Volumn 255, Issue 2-3, 2000, Pages 165-194

Structures, vibrational absorption and vibrational circular dichroism spectra of L-alanine in aqueous solution: A density functional theory and RHF study

(4) Frimand, K a,b Bohr, H a Jalkanen, K J b,c Suhai, S b

a TECHNICAL UNIVERSITY OF DENMARK (Denmark)

b GERMAN CANCER RESEARCH CENTER DKFZ (Germany)

c AALTO UNIVERSITY (Finland)

Author keywords

[No Author keywords available]

Indexed keywords

ALANINE; AMPHOLYTE;

ABSORPTION; ARTICLE; CALCULATION; CHEMICAL REACTION; CHEMICAL STRUCTURE; CIRCULAR DICHROISM; COMPLEX FORMATION; CONFORMATION; DENSITY; ELECTRIC POTENTIAL; MATHEMATICAL ANALYSIS; MODEL; REACTION ANALYSIS; SOLVATION; SPECTROMETRY; THEORY; VIBRATION;

EID: 0034190019 PISSN: 03010104 EISSN: None Source Type: Journal
DOI: 10.1016/S0301-0104(00)00069-0 Document Type: Article

Times cited : (95)

References (55)

1
- 84962361081
- (1997) Proteins , vol.28 , pp. 83
- Aleman, C.R.¹ Ramon, L.² Javier, F.³ Orozco, M.⁴

2
- 0028854127
- (1995) Biopolymers , vol.35 , pp. 171
- Beglov, D.¹ Roux, B.²

3
- 0029011910
- (1995) Biochemistry , vol.34 , pp. 7614
- Hirst, J.D.¹ Brooks, C.L.²

4
- 0028317634
- (1994) J. Am. Chem. Soc. , vol.116 , pp. 11915
- Zhang, L.¹ Hermans, J.²

5
- 0027497118
- (1993) Biochemistry , vol.32 , pp. 9668
- Scholtz, J.M.¹ Qian, H.² Robbins, V.H.³ Baldwin, R.L.⁴

6
- 0000341366
- (1992) J. Am. Chem. Soc. , vol.114 , pp. 4028
- De Loof, H.¹ Nilsson, L.² Rigler, R.³

7
- 0026525048
- (1992) J. Mol. Biol. , vol.223 , pp. 1121
- Daggett, V.¹ Levitt, M.²

8
- 0025858688
- (1991) Biochemistry , vol.30 , pp. 3864
- Tirado-Rives, J.¹ Maxwell, D.S.² Jorgensen, W.L.³

9
- 26444507318
- (1996) J. Chem. Phys. , vol.104 , pp. 5539
- Contador, J.C.¹ Sanchez, M.L.² Aguilar, M.A.³ Del Valle, F.J.O.⁴

10
- 0033482851
- (1999) Chem. Phys. , vol.240 , pp. 63
- Knapp-Mahammady, M.¹ Jalkanen, K.J.² Nardi, F.³ Wade, R.C.⁴ Suhai, S.⁵

11
- 11644317783
- (1998) J. Phys. Chem. B , vol.102 , pp. 2587
- Han, W.¹ Jalkanen, K.J.² Elstner, M.³ Suhai, S.⁴

12
- 0001152446
- (1998) J. Phys. Chem. B , vol.102 , Issue.30 , pp. 5899
- Tajkhorshid, E.¹ Jalkanen, K.J.² Suhai, S.³

13
- 0008140978
- S. Suhai (Ed.), Proceedings of the International Symposium on theoretical and Computational Genome Research, Plenum Press, New York
- (1997) , pp. 255
- Jalkanen, K.J.¹ Bohr, H.G.² Suhai, S.³

14
- 0008088565
- (1996) Chem. Phys. , vol.208 , Issue.81-116
- Jalkanen, K.J.¹ Suhai, S.²

15
- 0042113153
- (1965) Phys. Rev. , vol.140 , Issue.4 A , pp. 1133
- Kohn, W.¹ Sham, L.J.²

16
- 0008042407
- The Atom-Atom Potential Method, Springer, Berlin
- (1987)
- Pertsin, A.J.¹ Kitaigorodsky, A.I.²

17
- 0008125733
- The Theory of Intermolecular Forces, Oxford University Press, Oxford
- (1996)
- Stone, A.J.¹

18
- 0000189651
- (1993) J. Chem. Phys. , vol.98 , Issue.7 , pp. 5648
- Becke, A.D.¹

19
- 0008154498
- in preparation
- Frimand, K.¹ Jalkanen, K.J.² Bohr, H.G.³ Suhai, S.⁴

20
- 0006279673
- (1996) J. Phys. Chem. , vol.100 , pp. 2025
- Deng, Z.¹ Polavarapu, P.L.² Ford, S.J.³ Hecht, L.⁴ Barron, L.D.⁵ Ewig, C.S.⁶ Jalkanen, K.J.⁷

21
- 0033466066
- (1999) Chem. Phys. , vol.246 , pp. 13
- Bohr, H.G.¹ Jalkanen, K.J.² Frimand, K.³ Suhai, M.S.⁴

22
- 0015515825
- (1972) J. Am. Chem. Soc. , vol.94 , pp. 2657
- Lehmann, M.S.¹ Koetzle, T.F.² Hamilton, W.C.³

23
- 0008144643
- Introduction of Modern Vibrational Spectroscopy, Wiley, New York, USA
- (1993)
- Diem, M.¹

24
- 0000101590
- (1988) J. Am. Chem. Soc. , vol.110 , pp. 6967
- Diem, M.¹

25
- 0001499611
- (1982) J. Am. Chem. Soc. , vol.104 , pp. 3329
- Diem, M.¹ Polavarapu, P.L.² Oboodi, M.³ Nafie, L.A.⁴

26
- 0000511514
- (1990) Spectrochim. Acta , vol.46 A , pp. 921
- Kettle, S.F.A.¹ Lugwisha, E.² Vorderwisch, P.³ Eckert, J.⁴

27
- 36149013497
- (1931) Phys. Rev. , vol.38 , pp. 1969
- Urey, H.C.¹ Bradley C.A., Jr.²

28
- 0001420834
- (1996) J. Mol. Struct. Theochem. , vol.362 , pp. 339
- Weir, A.F.¹ Lowrey, A.H.² Williams, R.W.³

29
- 0008125734
- (1991) J. Phys. Chem. , vol.95 , pp. 5446
- Jalkanen, K.J.¹ Stephens, P.J.²

30
- 0008042999
- Vibrational Absorption, Vibrational Circular Dichroism and Magnetic Susceptibilities, Ph.D. thesis, University of Southern California
- (1989)
- Jalkanen, K.J.¹

31
- 33751499911
- (1991) J. Phys. Chem. , vol.95 , pp. 9817
- Kawiecki, R.W.¹ Devlin, F.J.² Stephens, P.J.³ Amos, R.D.⁴

32
- 0008051632
- The Vibrational Circular Dichroism of Propylene oxide, Ph.D. thesis, University of Southern California
- (1988)
- Kawiecki, R.W.¹

33
- 0008039017
- Vibrational Absorption and Vibrational Circular Dichroism, Ph.D. thesis, University of Southern California
- (1991)
- Bursi, R.¹

34
- 33751157732
- (1994) J. Phys. Chem. , vol.98 , Issue.45 , pp. 11623
- Stephens, P.J.¹ Devlin, F.J.² Chabalowski, C.F.³ Frisch, M.J.⁴

35
- 4243553426
- (1992) Phys. Rev. A , vol.38 , pp. 3098
- Becke, A.D.¹

36
- 0345491105
- (1988) Phys. Rev. B , vol.37 , pp. 785
- Lee, C.¹ Yang, W.² Parr, R.G.³

37
- 0038596731
- (1989) Chem. Phys. Lett. , vol.157 , pp. 200
- Miehlich, B.¹ Savin, A.² Stoll, H.³ Preuss, H.⁴

38
- 0008091124
- Insight II User's Guide San Diego, CA

39
- 0008135041
- Discover User's Guide, Biosym Technologies (MSI), San Diego, CA
- (1991)
- McKay, D.¹ Hagler, A.T.² Maple, J.R.³ Herd, C.⁴

40
- 15944395860
- (1979) J. Am. Chem. Soc. , vol.101 , pp. 2550
- Pulay, P.¹ Fogarasi, G.² Pang, F.³ Boggs, J.E.⁴

41
- 0000971186
- (1991) Spectrochim. Acta A , vol.47 , pp. 1001
- Barron, L.D.¹ Gargaro, A.R.² Hecht, L.³ Polavarapu, P.L.⁴

42
- 0000228284
- (1995) J. Phys. Chem. , vol.99 , pp. 835
- Yu, G.-S.¹ Freedman, T.B.² Nafie, L.A.³ Deng, T.⁴ Polavarapu, P.L.⁵

43
- 0008043002
- Discover User's Guide, San Diego, CA
- (1995)

44
- 0343791148
- (1938) J. Am. Chem. Soc. , vol.58 , pp. 1486
- Onsager, L.¹

45
- 0008091125
- in preparation
- Jalkanen, K.J.¹ Frimand, K.² Suhai, S.³ Bohr, H.G.⁴

46
- 11644319541
- (1998) J. Phys. Chem. A , vol.102 , pp. 4623
- Stepanian, S.G.¹ Reva, I.D.² Radchenko, E.D.³ Adamowicz, L.⁴

47
- 0000613556
- (1997) J. Comp. Chem. , vol.18 , pp. 1609
- Nguyen, D.T.¹ Scheiner, A.C.² Andzelm, J.W.³ Salahub, S.D.R.⁴ Hagler, T.⁵

48
- 33751156765
- (1995) J. Org. Chem. , vol.60 , pp. 1704
- Cassady, C.J.¹ Carr, S.R.² Zhang, K.³ Chung-Phillips, A.⁴

49
- 0008140980
- (1995) J. Am. Chem. Soc. , vol.117 , pp. 207
- Gronert, S.¹ O'Hair, R.A.J.²

50
- 45849122667
- (1995) J. Mol. Struct. Theochem. , vol.332 , pp. 251
- Cao, M.¹ Newton, S.Q.² Pranata, J.³ Schafer, L.⁴

51
- 0030595208
- (1996) Chem. Phys. Lett. , vol.260 , pp. 21
- Tortonda, F.R.¹ Pascual, J.L.² Tunon, I.³

52
- 0032484796
- (1998) J. Phys. Chem. A , vol.102 , pp. 1041
- Stepanian, S.G.¹ Radchenko, I.E.D.² Rosado, M.T.S.³ Duarte, M.L.T.S.⁴ Fausto, R.⁵ Adamowicz, L.⁶

53
- 0000337925
- (1998) J. Phys. Chem. A , vol.102 , pp. 5111
- Kaschner, R.¹ Hohl, D.²

54
- 0002696495
- (1998) Chem. Phys. Lett. , vol.294 , pp. 56
- Chakraborty, D.¹ Manogaran, S.²

55
- 0004479272
- (1998) J. Comp. Chem. , vol.19 , pp. 430
- Maple, J.R.¹ Hwang, M.-J.² Jalkanen, K.J.³ Stockfisch, T.P.⁴ Hagler, A.T.⁵

* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.