Josep Maria Bofill

	2011
18		Wolfgang Quapp, Josep Maria Bofill: Reply to the comment by Sheppard and Henkelman on the nudged elastic band method. Journal of Computational Chemistry 32(8): 1772-1773 (2011)
	2010
17		Antoni Aguilar-Mogas, Xavier Giménez, Josep Maria Bofill: Implementation of an algorithm based on the Runge-Kutta-Fehlberg technique and the potential energy as a reaction coordinate to locate intrinsic reaction paths. Journal of Computational Chemistry 31(13): 2510-2525 (2010)
16		Wolfgang Quapp, Josep Maria Bofill: A comment to the nudged elastic band method. Journal of Computational Chemistry 31(13): 2526-2531 (2010)
	2007
15		Javier González, Xavier Giménez, Josep Maria Bofill: Algorithm to evaluate rate constants for polyatomic chemical reactions. I. Theory and computational details. Journal of Computational Chemistry 28(13): 2102-2110 (2007)
14		Javier González, Xavier Giménez, Josep Maria Bofill: Algorithm to evaluate rate constants for polyatomic chemical reactions. II. Applications. Journal of Computational Chemistry 28(13): 2111-2121 (2007)
	2003
13		Carles Curutchet, Josep Maria Bofill, Begoña Hernández, Modesto Orozco, F. Javier Luque: Energy decomposition in molecular complexes: Implications for the treatment of polarization in molecular simulations. Journal of Computational Chemistry 24(10): 1263-1275 (2003)
	2001
12		Josep Maria Anglada, Emili Besalú, Josep Maria Bofill, Ramon Crehuet: On the quadratic reaction path evaluated in a reduced potential energy surface model and the problem to locate transition states. Journal of Computational Chemistry 22(4): 387-406 (2001)
11		Josep Maria Bofill: Reply on the comment On the quadratic reaction path evaluated in a reduced potential energy surface model and the problem to locate transition states [by J. M. Anglada, E. Besalú, J. M. Bofill, and R. Crehuet, J Comput Chem 2001, 22, 4, 387-406]. Journal of Computational Chemistry 22(5): 541-544 (2001)
10		Josep Maria Anglada, Emili Besalú, Josep Maria Bofill, Ramon Crehuet: On the quadratic reaction path evaluated in a reduced potential energy surface model and the problem to locate transition states. Journal of Computational Chemistry 22(7): 803 (2001)
	2000
9		Josep Maria Bofill, Ibério de Pinho Ribeiro Moreira, Josep Maria Anglada, Francesc Illas: Accurate and efficient determination of higher roots in diagonalization of large matrices based in function restricted optimization algorithms. Journal of Computational Chemistry 21(15): 1375-1386 (2000)
	1999
8		Josep Maria Anglada, Emili Besalú, Josep Maria Bofill, Ramon Crehuet: Prediction of approximate transition states by Bell-Evans-Polanyi principle: I. Journal of Computational Chemistry 20(11): 1112-1129 (1999)
7		Josep Maria Anglada, Emili Besalú, Josep Maria Bofill, Ramon Crehuet: Prediction of approximate transition states by Bell-Evans-Polanyi principle: II. Gas phase unimolecular decomposition of methyldioxirane. Journal of Computational Chemistry 20(11): 1130-1137 (1999)
	1998
6		Emili Besalú, Josep Maria Bofill: Calculation of clustered eigenvalues of large matrices using variance minimization method. Journal of Computational Chemistry 19(15): 1777-1785 (1998)
5		Josep Maria Anglada, Josep Maria Bofill: How good is a Broyden-Fletcher-Goldfarb-Shanno-like update Hessian formula to locate transition structures? Specific reformulation of Broyden-Fletcher-Goldfarb-Shanno for optimizing saddle points. Journal of Computational Chemistry 19(3): 349-362 (1998)
4		Josep Maria Bofill, Hugo Bono, Jaime Rubio: Analysis of the convergence of the general coupling operator method for one-configuration-type wave functions. Journal of Computational Chemistry 19(3): 368-376 (1998)
	1997
3		Josep Maria Anglada, Josep Maria Bofill: A reduced-restricted-quasi-Newton-Raphson method for locating and optimizing energy crossing points between two potential energy surfaces. Journal of Computational Chemistry 18(8): 992-1003 (1997)
	1995
2		Josep Maria Bofill, Mónica Comajuan: Analysis of the Updated Hessian Matrices for Locating Transition Strucutres. Journal of Computational Chemistry 16(11): 1326-1338 (1995)
	1994
1		Josep Maria Bofill: Updated Hessian Matrix and the Restricted Step Method for Locating Transition Structures. Journal of Computational Chemistry 15(1): 1-11 (1994)

Coauthor Index

1	Antoni Aguilar-Mogas	[17]
2	Josep Maria Anglada	[3] [5] [7] [8] [9] [10] [12]
3	Emili Besalú	[6] [7] [8] [10] [12]
4	Hugo Bono	[4]
5	Mónica Comajuan	[2]
6	Ramon Crehuet	[7] [8] [10] [12]
7	Carles Curutchet	[13]
8	Xavier Giménez	[14] [15] [17]
9	Javier González (Javier González Jiménez, Javier Gonzalez)	[14] [15]
10	Begoña Hernández	[13]
11	Francesc Illas	[9]
12	F. Javier Luque (Francisco Javier Luque)	[13]
13	Ibério de Pinho Ribeiro Moreira	[9]
14	Modesto Orozco	[13]
15	Wolfgang Quapp	[16] [18]
16	Jaime Rubio	[4]

Colors in the list of coauthors

Last update Sun May 27 04:04:01 2012 CET by the DBLP Team — Data released under the ODC-BY 1.0 license — See also our legal information page