SCOPUS 정보 검색 플랫폼

Journal of Molecular Modeling

Volumn 19, Issue 7, 2013, Pages 2689-2697

Fine structure in the transition region: Reaction force analyses of water-assisted proton transfers

(6) Yepes, Diana a Murray, Jane S b Santos, Juan C a Toro Labbé, Alejandro c Politzer, Peter b Jaque, Pablo a

a UNIVERSIDAD ANDRÉS BELLO (Chile)

b CleVeTheoComp LLC (United States)

c PONTIFICIA UNIVERSIDAD CATÓLICA DE CHILE (Chile)

Author keywords

Reaction force; Reaction force constant; Synchronicity; Transition region; Water assisted proton transfer

Indexed keywords

WATER;

CHEMICAL BOND; CHEMICAL REACTION; CHEMICAL STRUCTURE; CONFERENCE PAPER; ENERGY; MOLECULAR MECHANICS; PRIORITY JOURNAL; PROTON TRANSPORT; REACTION FORCE; VIBRATION;

COMPUTER SIMULATION; KINETICS; MOLECULAR STRUCTURE; PROTONS; QUANTUM THEORY; WATER;

EID: 84879786403 PISSN: 16102940 EISSN: 09485023 Source Type: Journal
DOI: 10.1007/s00894-012-1475-3 Document Type: Conference Paper

Times cited : (37)

References (30)

1
- 0000673422
- 10.1021/jp984187g
- Toro-Labbé A (1999) J Phys Chem A 103:4398-4403
- (1999) J Phys Chem A , vol.103 , pp. 4398-4403
- Toro-Labbé, A.¹

2
- 0001755197
- 10.1021/jp993016o 1:CAS:528:DC%2BD3cXksVSjtg%3D%3D
- Jaque P, Toro-Labbé A (2000) J Phys Chem A 104:995-1003
- (2000) J Phys Chem A , vol.104 , pp. 995-1003
- Jaque, P.¹ Toro-Labbé, A.²

3
- 4544385268
- 10.1063/1.1777216
- Toro-Labbé A, Gutiérrez-Oliva S, Concha MC, Murray JS, Politzer P (2004) J Chem Phys 121:4570-4576
- (2004) J Chem Phys , vol.121 , pp. 4570-4576
- Toro-Labbé, A.¹ Gutiérrez-Oliva, S.² Concha, M.C.³ Murray, J.S.⁴ Politzer, P.⁵

4
- 33751044609
- 10.1021/ar00072a001 1:CAS:528:DyaL3MXmtFSgtL0%3D
- Fukui K (1981) Acc Chem Res 14:363-368
- (1981) Acc Chem Res , vol.14 , pp. 363-368
- Fukui, K.¹

5
- 33750614386
- 10.1021/j100377a021 1:CAS:528:DyaK3cXktl2rt78%3D
- Gonzalez C, Schegel HB (1990) J Phys Chem 94:5523-5527
- (1990) J Phys Chem , vol.94 , pp. 5523-5527
- Gonzalez, C.¹ Schegel, H.B.²

6
- 33748308824
- 10.1021/jp062870u
- Rincón E, Jaque P, Toro-Labbé A (2006) J Phys Chem A 110:9478-9485
- (2006) J Phys Chem A , vol.110 , pp. 9479-9485
- Rincón, E.¹ Jaque, P.² Toro-Labbé, A.³

7
- 66649091761
- 10.1021/jp9025927 1:CAS:528:DC%2BD1MXkslOlurk%3D
- Burda JV, Murray JS, Toro-Labbé A, Gutiérrez-Oliva S, Politzer P (2009) J Phys Chem A 113:6500-6503
- (2009) J Phys Chem A , vol.113 , pp. 6500-6503
- Burda, J.V.¹ Murray, J.S.² Toro-Labbé, A.³ Gutiérrez-Oliva, S.⁴ Politzer, P.⁵

8
- 62149140926
- 10.1021/jp807754f 1:CAS:528:DC%2BD1cXhsV2nurnO
- Jaque P, Toro-Labbé A, Geerlings P, De Proft F (2009) J Phys Chem A 113:332-344
- (2009) J Phys Chem A , vol.113 , pp. 332-344
- Jaque, P.¹ Toro-Labbé, A.² Geerlings, P.³ De Proft, F.⁴

9
- 34547646863
- 10.1002/qua.21400 1:CAS:528:DC%2BD2sXnslyhtL0%3D
- Politzer P, Murray JS, Lane P, Toro-Labbé A (2007) Int J Quantum Chem 107:2153-2157
- (2007) Int J Quantum Chem , vol.107 , pp. 2153-2157
- Politzer, P.¹ Murray, J.S.² Lane, P.³ Toro-Labbé, A.⁴

10
- 55949123040
- 10.1135/cccc20080822 1:CAS:528:DC%2BD1cXhtFKgsbzE
- Politzer P, Murray JS (2008) Collect Czech Chem Commun 73:822-830
- (2008) Collect Czech Chem Commun , vol.73 , pp. 822-830
- Politzer, P.¹ Murray, J.S.²

11
- 66649115482
- 10.1007/s00894-008-0400-2 1:CAS:528:DC%2BC3cXlslGis78%3D
- Murray JS, Toro-Labbé A, Clark T, Politzer P (2009) J Mol Model 15:701-706
- (2009) J Mol Model , vol.15 , pp. 701-706
- Murray, J.S.¹ Toro-Labbé, A.² Clark, T.³ Politzer, P.⁴

12
- 31544478813
- 10.1021/jp0582080 1:CAS:528:DC%2BD2MXhtV2nurjM
- Politzer P, Burda JV, Concha MC, Lane P, Murray JS (2006) J Phys Chem A 110:756-761
- (2006) J Phys Chem A , vol.110 , pp. 756-761
- Politzer, P.¹ Burda, J.V.² Concha, M.C.³ Lane, P.⁴ Murray, J.S.⁵

13
- 34247542549
- 10.1021/jp0709353 1:CAS:528:DC%2BD2sXislent7k%3D
- Burda JV, Toro-Labbé A, Gutiérrez-Oliva S, Murray JS, Politzer P (2007) J Phys Chem A 111:2455-2457
- (2007) J Phys Chem A , vol.111 , pp. 2455-2457
- Burda, J.V.¹ Toro-Labbé, A.² Gutiérrez-Oliva, S.³ Murray, J.S.⁴ Politzer, P.⁵

14
- 57149134664
- 10.1021/jp805225e 1:CAS:528:DC%2BD1cXht1yitbnL
- Echegaray E, Toro-Labbé A (2008) J Phys Chem A 112:11801-11807
- (2008) J Phys Chem A , vol.112 , pp. 11801-11807
- Echegaray, E.¹ Toro-Labbé, A.²

15
- 76349106981
- 10.1007/s00214-009-0620-2 1:CAS:528:DC%2BD1MXhtlKrtb3F
- Murray JS, Lane P, Göbel M, Klapötke TM, Politzer P (2009) Theor Chem Acc 124:355-363
- (2009) Theor Chem Acc , vol.124 , pp. 355-363
- Murray, J.S.¹ Lane, P.² Göbel, M.³ Klapötke, T.M.⁴ Politzer, P.⁵

16
- 77957955673
- 10.1007/s00214-009-0723-9 1:CAS:528:DC%2BC3cXht1Grs7rN
- Murray JS, Lane P, Nieder A, Klapötke TM, Politzer P (2010) Theor Chem Acc 127:345-354
- (2010) Theor Chem Acc , vol.127 , pp. 345-354
- Murray, J.S.¹ Lane, P.² Nieder, A.³ Klapötke, T.M.⁴ Politzer, P.⁵

17
- 42249115681
- 10.1016/j.cplett.2008.03.054 1:CAS:528:DC%2BD1cXls1SrsLc%3D
- Jaque P, Toro-Labbé A, Politzer P, Geerlings P (2008) Chem Phys Lett 456:135-140
- (2008) Chem Phys Lett , vol.456 , pp. 135-140
- Jaque, P.¹ Toro-Labbé, A.² Politzer, P.³ Geerlings, P.⁴

18
- 66649111429
- 10.1007/s00894-008-0431-8
- Toro-Labbé A, Gutiérrez-Oliva S, Murray JS, Politzer P (2009) J Mol Model 15:707-710
- (2009) J Mol Model , vol.15 , pp. 707-710
- Toro-Labbé, A.¹ Gutiérrez-Oliva, S.² Murray, J.S.³ Politzer, P.⁴

19
- 77951676597
- Murray JS, Toro-Labbé A, Gutiérrez-Oliva S, Politzer P (2010) J Chem Phys 132:154308-154314
- (2010) J Chem Phys , vol.132 , pp. 154308-154314
- Murray, J.S.¹ Toro-Labbé, A.² Gutiérrez-Oliva, S.³ Politzer, P.⁴

20
- 77957891283
- 10.1021/jz101135y 1:CAS:528:DC%2BC3cXhtFGhsbvM
- Politzer P, Reimers JR, Murray JS, Toro-Labbé A (2010) J Phys Chem Lett 1:2858-2862
- (2010) J Phys Chem Lett , vol.1 , pp. 2858-2862
- Politzer, P.¹ Reimers, J.R.² Murray, J.S.³ Toro-Labbé, A.⁴

21
- 0345082644
- 10.1021/ar00051a005 1:CAS:528:DyaK2MXjvFOkt7g%3D
- Polanyi JC, Zewail AH (1995) Acc Chem Res 28:119-132
- (1995) Acc Chem Res , vol.28 , pp. 119-132
- Polanyi, J.C.¹ Zewail, A.H.²

22
- 0033723528
- 10.1021/jp001460h 1:CAS:528:DC%2BD3cXktVeisbY%3D
- Zewail AH (2000) J Phys Chem A 104:5660-5694
- (2000) J Phys Chem A , vol.104 , pp. 5660-5694
- Zewail, A.H.¹

23
- 1842583939
- 10.1021/jp036415z 1:CAS:528:DC%2BD2cXht1WltL8%3D
- Herrera B, Toro-Labbé A (2004) J Phys Chem A 108:1830-1836
- (2004) J Phys Chem A , vol.108 , pp. 1830-1836
- Herrera, B.¹ Toro-Labbé, A.²

24
- 4243553426
- 10.1103/PhysRevA.38.3098 1:CAS:528:DyaL1cXmtlOhsLo%3D
- Becke AD (1988) Phys Rev A 38:3098-3100
- (1988) Phys Rev A , vol.38 , pp. 3098-3100
- Becke, A.D.¹

25
- 0345491105
- 10.1103/PhysRevB.37.785 1:CAS:528:DyaL1cXktFWrtbw%3D
- Lee CT, Yang WT, Parr RG (1988) Phys Rev B 37:785-789
- (1988) Phys Rev B , vol.37 , pp. 785-789
- Lee, C.T.¹ Yang, W.T.² Parr, R.G.³

26
- 0000189651
- 10.1063/1.464913 1:CAS:528:DyaK3sXisVWgtrw%3D
- Becke AD (1993) J Chem Phys 98:5648-5652
- (1993) J Chem Phys , vol.98 , pp. 5648-5652
- Becke, A.D.¹

27
- 27844456798
- 10.1007/BF02708362 1:CAS:528:DC%2BD2MXht1KrsLjF
- Gonzalez-Rivas N, Cedillo A (2005) J Chem Sci 117:555-560
- (2005) J Chem Sci , vol.117 , pp. 555-560
- Gonzalez-Rivas, N.¹ Cedillo, A.²

28
- 11344274827
- Gaussian Inc Wallingford
- Frisch MJ, Schlegel HB, Scuseria GE, Robb MA, Cheeseman JR, Montgomery JA Jr et al (2004) Gaussian 03, Revision E.01. Gaussian Inc, Wallingford
- (2004) Gaussian 03, Revision E.01
- Frisch, M.J.¹ Schlegel, H.B.² Scuseria, G.E.³ Robb, M.A.⁴ Cheeseman, J.R.⁵ Montgomery, Jr.J.A.⁶

29
- 84961978576
- 10.1021/jp903638n 1:CAS:528:DC%2BD1MXhtFehu7jP
- Jaramillo P, Coutinho K, Canuto S (2009) J Phys Chem A 113:12485-12495
- (2009) J Phys Chem A , vol.113 , pp. 12485-12495
- Jaramillo, P.¹ Coutinho, K.² Canuto, S.³

30
- 58149157931
- 10.1039/b814533d 1:CAS:528:DC%2BD1cXhsFCjsLvF
- Borgoo A, Jaque P, Toro-Labbé A, Van Alsenoy C, Geerlings P (2009) Phys Chem Chem Phys 11:476-482
- (2009) Phys Chem Chem Phys , vol.11 , pp. 476-482
- Borgoo, A.¹ Jaque, P.² Toro-Labbé, A.³ Van Alsenoy, C.⁴ Geerlings, P.⁵

* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.