화학공학소재연구정보센터
검색결과 : 26건
No. Article
1 Analysis of the Acting Forces in a Theory of Catalysis and Mechanochemistry
Quapp W, Bofill JM, Ribas-Arino J
Journal of Physical Chemistry A, 121(14), 2820, 2017
2 Dehydrohalogenation and Dehydration Reactions of i-C3H7Br and i-C3H7OH by Sodium Ions Studied by Guided Ion Beam Techniques and Quantum Chemical Methods
Lopez E, Lucas JM, de Andres J, Alberti M, Bofill JM, Aguilar A
Journal of Physical Chemistry A, 120(27), 4758, 2016
3 Comment on "Reaction Coordinates and Pathways of Mechanochemical Transformations"
Quapp W, Bofill JM
Journal of Physical Chemistry B, 120(9), 2644, 2016
4 Locating transition states on potential energy surfaces by the gentlest ascent dynamics
Bofill JM, Quapp W, Caballero M
Chemical Physics Letters, 583, 203, 2013
5 Search for conical intersection points (CI) by Newton trajectories
Quapp W, Bofill JM, Caballero M
Chemical Physics Letters, 541, 122, 2012
6 Understanding chemical reactions within a generalized Hamilton-Jacobi framework (vol 478, pg 89, 2009)
Sanz AS, Gimenez X, Bofill JM, Miret-Artes S
Chemical Physics Letters, 488(4-6), 235, 2010
7 Understanding chemical reactions within a generalized Hamilton-Jacobi framework
Sanz AS, Gimenez X, Bofill JM, Miret-Artes S
Chemical Physics Letters, 478(1-3), 89, 2009
8 Guided-Ion-Beam and ab Initio Study of the Li+, K+, and Rb+ Association Reactions with Gas-Phase Butanone and Cyclohexanone in Their Ground Electronic States
Lucas JM, de Andres J, Lopez E, Alberti M, Bofill JM, Bassi D, Ascenzi D, Tosi P, Aguilar A
Journal of Physical Chemistry A, 113(52), 14766, 2009
9 Bohmian Total Potential View to Quantum Effects III. Tunnelling in Phase Space
Gonzalez MF, Bofill JM, Gimenez X
Journal of Physical Chemistry A, 113(52), 15024, 2009
10 Unconventional biradical character of titanium enolates
Moreira IDR, Bofill JM, Anglada JM, Solsona JG, Nebot J, Romea P, Urpi F
Journal of the American Chemical Society, 130(11), 3242, 2008