SCOPUS 정보 검색 플랫폼

Journal of Molecular Modeling

Volumn 14, Issue 8, 2008, Pages 651-658

Elongation cutoff technique: Low-order scaling SCF method

(2) Korchowiec, Jacek a Lewandowski, Jakub a

a JAGIELLONIAN UNIVERSITY (Poland)

Author keywords

Elongation cutoff technique; Elongation method; Fragmentation techniques; Linear scaling SCF calculations

Indexed keywords

GLYCINE;

ACCURACY; ALPHA HELIX; CALCULATION; CHEMICAL MODEL; CHEMICAL STRUCTURE; CONFERENCE PAPER; CONTROLLED STUDY; ELECTRON; ELONGATION CUTOFF TECHNIQUE; LINEAR SYSTEM; MATHEMATICAL COMPUTING; POLYMERIZATION; PRIORITY JOURNAL; PROTEIN SECONDARY STRUCTURE; QUANTUM CHEMISTRY; STATISTICAL MODEL; TIME;

COMPUTATIONAL BIOLOGY; COMPUTER SIMULATION; ELECTRONS; MATHEMATICAL COMPUTING; MODELS, CHEMICAL; PEPTIDES; PROTEIN STRUCTURE, SECONDARY; WATER;

EID: 47249101043 PISSN: 16102940 EISSN: 09485023 Source Type: Journal
DOI: 10.1007/s00894-008-0295-y Document Type: Conference Paper

Times cited : (2)

References (46)

1
- 36449006535
- White CA, Head-Gordon M (1994) J Chem Phys 101:6593-6605
- (1994) J Chem Phys , vol.101 , pp. 6593-6605
- White, C.A.¹ Head-Gordon, M.²

2
- 0030567425
- White CA, Johnson BG, Gill PMW, Head-Gordon M, (1996) Chem Phys Lett 253:268-278
- (1996) Chem Phys Lett , vol.253 , pp. 268-278
- White, C.A.¹ Johnson, B.G.² Gill, P.M.W.³ Head-Gordon, M.⁴

3
- 0002934876
- Strain MC, Scuseria GE, Frisch MJ (1996) Science 271:51-53
- (1996) Science , vol.271 , pp. 51-53
- Strain, M.C.¹ Scuseria, G.E.² Frisch, M.J.³

4
- 0000725931
- Daniels AD, Scuseria GE (1999) J Chem Phys 110:1321-1328
- (1999) J Chem Phys , vol.110 , pp. 1321-1328
- Daniels, A.D.¹ Scuseria, G.E.²

5
- 0242289628
- Li X, Millam JM, Scuseria GE, Frisch MJ, Schlegel HB (2003) J Chem Phys 119:7651-7658
- (2003) J Chem Phys , vol.119 , pp. 7651-7658
- Li, X.¹ Millam, J.M.² Scuseria, G.E.³ Frisch, M.J.⁴ Schlegel, H.B.⁵

6
- 4344578234
- Watson MA, Salek P, Macak P, Helgaker T (2004) J Chem Phys 121:2915-2931
- (2004) J Chem Phys , vol.121 , pp. 2915-2931
- Watson, M.A.¹ Salek, P.² Macak, P.³ Helgaker, T.⁴

7
- 7544248794
- Gan CK, Tymczak CJ, Challacombe M (2004) J Chem Phys 121:6608-6614
- (2004) J Chem Phys , vol.121 , pp. 6608-6614
- Gan, C.K.¹ Tymczak, C.J.² Challacombe, M.³

8
- 0000125594
- Head-Gordon M, Maslen PE, White CA (1998) J Chem Phys 108:616-625
- (1998) J Chem Phys , vol.108 , pp. 616-625
- Head-Gordon, M.¹ Maslen, P.E.² White, C.A.³

9
- 0034510123
- Constans P, Ayala PY, Scuseria GE (2000) J Chem Phys 113:10451-10458
- (2000) J Chem Phys , vol.113 , pp. 10451-10458
- Constans, P.¹ Ayala, P.Y.² Scuseria, G.E.³

10
- 0037618360
- Schütz M, Werner HJ (2001) J Chem Phys 114:661-681
- (2001) J Chem Phys , vol.114 , pp. 661-681
- Schütz, M.¹ Werner, H.J.²

11
- 0037460999
- Flocke N, Bartlett RJ (2003) J Chem Phys 118:5326-5334
- (2003) J Chem Phys , vol.118 , pp. 5326-5334
- Flocke, N.¹ Bartlett, R.J.²

12
- 0000522267
- Azhary AE, Rauhut G, Pulay P, Werner HJ (1998) J Chem Phys 108:5185-5193
- (1998) J Chem Phys , vol.108 , pp. 5185-5193
- Azhary, A.E.¹ Rauhut, G.² Pulay, P.³ Werner, H.J.⁴

13
- 0000277432
- Ayala PY, Scuseria GE (1999) J Chem Phys 110:3660-3671
- (1999) J Chem Phys , vol.110 , pp. 3660-3671
- Ayala, P.Y.¹ Scuseria, G.E.²

14
- 0000303986
- Maslen PE, Lee MS, Head-Gordon M (2000) Chem Phys Lett 319:205-212
- (2000) Chem Phys Lett , vol.319 , pp. 205-212
- Maslen, P.E.¹ Lee, M.S.² Head-Gordon, M.³

15
- 0001330609
- Pulay P, Saebø S, Wolinski K (2001) Chem Phys Lett 344:543-552
- (2001) Chem Phys Lett , vol.344 , pp. 543-552
- Pulay, P.¹ Saebø, S.² Wolinski, K.³

16
- 0011621942
- Yang W (1991) Phys Rev Lett 66:1438-1441
- (1991) Phys Rev Lett , vol.66 , pp. 1438-1441
- Yang, W.¹

17
- 0043144732
- Yang W, Lee T-S (1995) J Chem Phys 103:5674-5678
- (1995) J Chem Phys , vol.103 , pp. 5674-5678
- Yang, W.¹ Lee, T.-S.²

18
- 0012834572
- Imamura A, Aoki Y, Maekawa K (1991) J Chem Phys 95:5419-5431
- (1991) J Chem Phys , vol.95 , pp. 5419-5431
- Imamura, A.¹ Aoki, Y.² Maekawa, K.³

19
- 0012891306
- Aoki Y, Imamura A (1992) J Chem Phys 97:8432-8440
- (1992) J Chem Phys , vol.97 , pp. 8432-8440
- Aoki, Y.¹ Imamura, A.²

20
- 84987100644
- Imamura A, Aoki Y Nishimoto K, Yurihara Y, Nagao A (1994) Int J Quantum Chem 52:309-320
- (1994) Int J Quantum Chem , vol.52 , pp. 309-320
- Imamura, A.¹ Aoki, Y.² Nishimoto, K.³ Yurihara, Y.⁴ Nagao, A.⁵

21
- 0039661810
- Mitani M, Aoki Y, Imamura A (1994) J Chem Phys 100:2346-2358
- (1994) J Chem Phys , vol.100 , pp. 2346-2358
- Mitani, M.¹ Aoki, Y.² Imamura, A.³

22
- 84987159715
- Aoki Y, Suhai S, Imamura A (1994) Int J Quantum Chem 52:267-280
- (1994) Int J Quantum Chem , vol.52 , pp. 267-280
- Aoki, Y.¹ Suhai, S.² Imamura, A.³

23
- 0039661818
- Aoki Y, Suhai S, Imamura A (1994) J Chem Phys 101:10808-10823
- (1994) J Chem Phys , vol.101 , pp. 10808-10823
- Aoki, Y.¹ Suhai, S.² Imamura, A.³

24
- 4143104515
- Dixon SL, Merz KM Jr (1996) J Chem Phys 104:6643-6649
- (1996) J Chem Phys , vol.104 , pp. 6643-6649
- Dixon, S.L.¹ Merz Jr., K.M.²

25
- 0346506503
- Dixon SL, Merz KM Jr (1997) J Chem Phys 107:879-893
- (1997) J Chem Phys , vol.107 , pp. 879-893
- Dixon, S.L.¹ Merz Jr., K.M.²

26
- 0242411480
- Exner TE, Mezey PG (2003) J Comput Chem 24:1980-1986
- (2003) J Comput Chem , vol.24 , pp. 1980-1986
- Exner, T.E.¹ Mezey, P.G.²

27
- 2542484339
- Exner TE, Mezey PG (2004) J Phys Chem A 108:4301-4309
- (2004) J Phys Chem A , vol.108 , pp. 4301-4309
- Exner, T.E.¹ Mezey, P.G.²

28
- 22944470256
- He X, Zhang JZH (2005) J Chem Phys 122:031103-031106
- (2005) J Chem Phys , vol.122 , pp. 031103-031106
- He, X.¹ Zhang, J.Z.H.²

29
- 34548090718
- Chen X, Zhang Y, Zhang JZH (2005) J Chem Phys 122:184105
- (2005) J Chem Phys , vol.122 , pp. 184105
- Chen, X.¹ Zhang, Y.² Zhang, J.Z.H.³

30
- 21444438003
- Li W, Li S (2005) J Chem Phys 122:194109-194115
- (2005) J Chem Phys , vol.122 , pp. 194109-194115
- Li, W.¹ Li, S.²

31
- 10844266448
- Gu FL, Aoki Y, Korchowiec J, Imamura A, Kirtman B (2004) J Chem Phys 121:10385-10391
- (2004) J Chem Phys , vol.121 , pp. 10385-10391
- Gu, F.L.¹ Aoki, Y.² Korchowiec, J.³ Imamura, A.⁴ Kirtman, B.⁵

32
- 30344471988
- Korchowiec J, Gu FL, Aoki Y (2005) Int J Quantum Chem 105:875-882
- (2005) Int J Quantum Chem , vol.105 , pp. 875-882
- Korchowiec, J.¹ Gu, F.L.² Aoki, Y.³

33
- 17644368239
- Korchowiec J, Gu FL, Imamura A, Kirtman B, Aoki Y (2005) Int J Quantum Chem 102:785-794
- (2005) Int J Quantum Chem , vol.102 , pp. 785-794
- Korchowiec, J.¹ Gu, F.L.² Imamura, A.³ Kirtman, B.⁴ Aoki, Y.⁵

34
- 33748536085
- Makowski M, Korchowiec J, Gu FL, Aoki Y (2006) J Comput Chem 27:1603-1619
- (2006) J Comput Chem , vol.27 , pp. 1603-1619
- Makowski, M.¹ Korchowiec, J.² Gu, F.L.³ Aoki, Y.⁴

35
- 2342622178
- Fedorov DG, Kitaura K (2004) J Chem Phys 120:6832-6840
- (2004) J Chem Phys , vol.120 , pp. 6832-6840
- Fedorov, D.G.¹ Kitaura, K.²

36
- 1942541469
- Fedorov DG, Kitaura K (2004) Chem Phys Lett 389:129-134
- (2004) Chem Phys Lett , vol.389 , pp. 129-134
- Fedorov, D.G.¹ Kitaura, K.²

37
- 20844451510
- Deev V, Collins MA (2005) J Chem Phys 122:154102-154111
- (2005) J Chem Phys , vol.122 , pp. 154102-154111
- Deev, V.¹ Collins, M.A.²

38
- 33748707029
- Collins MA, Deev V (2006) J Chem Phys 125:104104-104115
- (2006) J Chem Phys , vol.125 , pp. 104104-104115
- Collins, M.A.¹ Deev, V.²

39
- 18744382421
- Li S, Li W, Fang T (2005) J Am Chem Soc 127:7215-7226
- (2005) J Am Chem Soc , vol.127 , pp. 7215-7226
- Li, S.¹ Li, W.² Fang, T.³

40
- 34547236941
- Jiang N, Ma J, Jiang Y (2006) J Chem Phys 124:114112-114119
- (2006) J Chem Phys , vol.124 , pp. 114112-114119
- Jiang, N.¹ Ma, J.² Jiang, Y.³

41
- 47249095573
- GAMESS, Version 14, Jan. 2003 (R2), Iowa State University
- GAMESS, Version 14, Jan. 2003 (R2), Iowa State University

42
- 84893169025
- Schmidt MW, Baldridge KK, Boatz JA, Elbert ST, Gordon MS, Jensen JH, Koseki S, Matsunaga N, Nguyen KA, Su S, Windus TL, Dupuis M, Montgomery Jr JA (1993) J Comput Chem 14:1347-1363
- (1993) J Comput Chem , vol.14 , pp. 1347-1363
- Schmidt, M.W.¹ Baldridge, K.K.² Boatz, J.A.³ Elbert, S.T.⁴ Gordon, M.S.⁵ Jensen, J.H.⁶ Koseki, S.⁷ Matsunaga, N.⁸ Nguyen, K.A.⁹ Su, S.¹⁰ Windus, T.L.¹¹ Dupuis, M.¹² Montgomery Jr., J.A.¹³

43
- 11744283687
- Hehre WJ, Stewart RF, Pople JA (1967) J Chem Phys 51:2657-2664
- (1967) J Chem Phys , vol.51 , pp. 2657-2664
- Hehre, W.J.¹ Stewart, R.F.² Pople, J.A.³

44
- 36849115659
- Ditchfield R, Hehre WJ, Pople JA (1971) J Chem Phys 54:724-728
- (1971) J Chem Phys , vol.54 , pp. 724-728
- Ditchfield, R.¹ Hehre, W.J.² Pople, J.A.³

45
- 26844534384
- Krishnan R, Binkley JS, Seeger R, Pople JA (1980) J Chem Phys 72:650-654
- (1980) J Chem Phys , vol.72 , pp. 650-654
- Krishnan, R.¹ Binkley, J.S.² Seeger, R.³ Pople, J.A.⁴

46
- 0001475763
- Stone
- Stone (1981) Chem Phys Lett 83:233-239
- (1981) Chem Phys Lett , vol.83 , pp. 233-239

* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.