198 related articles for article (PubMed ID: 26583985)
1. Reliable Transition State Searches Integrated with the Growing String Method.
Zimmerman P
J Chem Theory Comput; 2013 Jul; 9(7):3043-50. PubMed ID: 26583985
[TBL] [Abstract][Full Text] [Related]
2. Automated Transition State Searches without Evaluating the Hessian.
Mallikarjun Sharada S; Zimmerman PM; Bell AT; Head-Gordon M
J Chem Theory Comput; 2012 Dec; 8(12):5166-74. PubMed ID: 26593206
[TBL] [Abstract][Full Text] [Related]
3. Single-ended transition state finding with the growing string method.
Zimmerman PM
J Comput Chem; 2015 Apr; 36(9):601-11. PubMed ID: 25581279
[TBL] [Abstract][Full Text] [Related]
4. Growing string method with interpolation and optimization in internal coordinates: method and examples.
Zimmerman PM
J Chem Phys; 2013 May; 138(18):184102. PubMed ID: 23676024
[TBL] [Abstract][Full Text] [Related]
5. A finite difference Davidson procedure to sidestep full ab initio hessian calculation: application to characterization of stationary points and transition state searches.
Sharada SM; Bell AT; Head-Gordon M
J Chem Phys; 2014 Apr; 140(16):164115. PubMed ID: 24784261
[TBL] [Abstract][Full Text] [Related]
6. Reliable and efficient reaction path and transition state finding for surface reactions with the growing string method.
Jafari M; Zimmerman PM
J Comput Chem; 2017 Apr; 38(10):645-658. PubMed ID: 28130776
[TBL] [Abstract][Full Text] [Related]
7. A growing string method for determining transition states: comparison to the nudged elastic band and string methods.
Peters B; Heyden A; Bell AT; Chakraborty A
J Chem Phys; 2004 May; 120(17):7877-86. PubMed ID: 15267702
[TBL] [Abstract][Full Text] [Related]
8. Finding the transition state without initial guess: the growing string method for Newton trajectory to isomerization and enantiomerization reaction of alanine dipeptide and poly(15)alanine.
Quapp W
J Comput Chem; 2007 Aug; 28(11):1834-47. PubMed ID: 17342714
[TBL] [Abstract][Full Text] [Related]
9. Transition state-finding strategies for use with the growing string method.
Goodrow A; Bell AT; Head-Gordon M
J Chem Phys; 2009 Jun; 130(24):244108. PubMed ID: 19566143
[TBL] [Abstract][Full Text] [Related]
10. Efficient methods for finding transition states in chemical reactions: comparison of improved dimer method and partitioned rational function optimization method.
Heyden A; Bell AT; Keil FJ
J Chem Phys; 2005 Dec; 123(22):224101. PubMed ID: 16375464
[TBL] [Abstract][Full Text] [Related]
11. Efficient Two-Step Procedures for Locating Transition States of Surface Reactions.
Nikodem A; Matveev AV; Zheng BX; Rösch N
J Chem Theory Comput; 2013 Jan; 9(1):588-99. PubMed ID: 26589057
[TBL] [Abstract][Full Text] [Related]
12. Efficient exploration of reaction paths via a freezing string method.
Behn A; Zimmerman PM; Bell AT; Head-Gordon M
J Chem Phys; 2011 Dec; 135(22):224108. PubMed ID: 22168681
[TBL] [Abstract][Full Text] [Related]
13. Mode-tracking based stationary-point optimization.
Bergeler M; Herrmann C; Reiher M
J Comput Chem; 2015 Jul; 36(19):1429-38. PubMed ID: 26073318
[TBL] [Abstract][Full Text] [Related]
14. Identification of the transition states in the inversion of 1,4-benzodiazepines with the ab initio replica path method.
Lee YS; Pike VW; Hodoscek M
J Phys Chem A; 2008 Feb; 112(7):1604-11. PubMed ID: 18229901
[TBL] [Abstract][Full Text] [Related]
15. Development and application of a hybrid method involving interpolation and ab initio calculations for the determination of transition states.
Goodrow A; Bell AT; Head-Gordon M
J Chem Phys; 2008 Nov; 129(17):174109. PubMed ID: 19045335
[TBL] [Abstract][Full Text] [Related]
16. A climbing string method for saddle point search.
Ren W; Vanden-Eijnden E
J Chem Phys; 2013 Apr; 138(13):134105. PubMed ID: 23574206
[TBL] [Abstract][Full Text] [Related]
17. Incorporating Linear Synchronous Transit Interpolation into the Growing String Method: Algorithm and Applications.
Behn A; Zimmerman PM; Bell AT; Head-Gordon M
J Chem Theory Comput; 2011 Dec; 7(12):4019-25. PubMed ID: 26598348
[TBL] [Abstract][Full Text] [Related]
18. Computational Catalysis Using the Artificial Force Induced Reaction Method.
Sameera WM; Maeda S; Morokuma K
Acc Chem Res; 2016 Apr; 49(4):763-73. PubMed ID: 27023677
[TBL] [Abstract][Full Text] [Related]
19. Improving Upon String Methods for Transition State Discovery.
Chaffey-Millar H; Nikodem A; Matveev AV; Krüger S; Rösch N
J Chem Theory Comput; 2012 Feb; 8(2):777-86. PubMed ID: 26596621
[TBL] [Abstract][Full Text] [Related]
20. Methods for finding transition states on reduced potential energy surfaces.
Burger SK; Ayers PW
J Chem Phys; 2010 Jun; 132(23):234110. PubMed ID: 20572692
[TBL] [Abstract][Full Text] [Related]
[Next] [New Search]
