G. J. Kroes
AuthID: R-00F-XPJ
1
TITLE: Predicting catalysis: Understanding ammonia synthesis from first-principles calculations
AUTHORS: Hellman, A; Baerends, EJ; Biczysko, M; Bligaard, T; Christensen, CH; Clary, DC; Dahl, S; van Harrevelt, R; Honkala, K; Jonsson, H; Kroes, GJ; Luppi, M; Manthe, U; Norskov, JK; Olsen, RA; Rossmeisl, J; Skulason, E; Tautermann, CS; Varandas, AJC ; Vincent, JK;
PUBLISHED: 2006, SOURCE: JOURNAL OF PHYSICAL CHEMISTRY B, VOLUME: 110, ISSUE: 36
AUTHORS: Hellman, A; Baerends, EJ; Biczysko, M; Bligaard, T; Christensen, CH; Clary, DC; Dahl, S; van Harrevelt, R; Honkala, K; Jonsson, H; Kroes, GJ; Luppi, M; Manthe, U; Norskov, JK; Olsen, RA; Rossmeisl, J; Skulason, E; Tautermann, CS; Varandas, AJC ; Vincent, JK;
PUBLISHED: 2006, SOURCE: JOURNAL OF PHYSICAL CHEMISTRY B, VOLUME: 110, ISSUE: 36
2
TITLE: Identifying spectator bonds in modeling reactions: OH+CO -> H+CO2 Full Text
AUTHORS: Valero, R; Kroes, GJ;
PUBLISHED: 2006, SOURCE: CHEMICAL PHYSICS LETTERS, VOLUME: 417, ISSUE: 1-3
AUTHORS: Valero, R; Kroes, GJ;
PUBLISHED: 2006, SOURCE: CHEMICAL PHYSICS LETTERS, VOLUME: 417, ISSUE: 1-3
4
TITLE: New results for the OH (v=0,j=0)+CO (v=0,j=0)-> H+CO2 reaction: Five- and full-dimensional quantum dynamical study on several potential energy surfaces Full Text
AUTHORS: Valero, R; McCormack, DA; Kroes, GJ;
PUBLISHED: 2004, SOURCE: JOURNAL OF CHEMICAL PHYSICS, VOLUME: 120, ISSUE: 9
AUTHORS: Valero, R; McCormack, DA; Kroes, GJ;
PUBLISHED: 2004, SOURCE: JOURNAL OF CHEMICAL PHYSICS, VOLUME: 120, ISSUE: 9
5
TITLE: Role of CO vibration in the complex-forming OH plus CO -> H+CO2 reaction
AUTHORS: Valero, R; Kroes, GJ;
PUBLISHED: 2004, SOURCE: PHYSICAL REVIEW A, VOLUME: 70, ISSUE: 4
AUTHORS: Valero, R; Kroes, GJ;
PUBLISHED: 2004, SOURCE: PHYSICAL REVIEW A, VOLUME: 70, ISSUE: 4
6
TITLE: Classical trajectory study of the HOCO system using a new interpolated ab initio potential energy surface Full Text
AUTHORS: Valero, R; van Hemert, MC; Kroes, GJ;
PUBLISHED: 2004, SOURCE: CHEMICAL PHYSICS LETTERS, VOLUME: 393, ISSUE: 1-3
AUTHORS: Valero, R; van Hemert, MC; Kroes, GJ;
PUBLISHED: 2004, SOURCE: CHEMICAL PHYSICS LETTERS, VOLUME: 393, ISSUE: 1-3
7
TITLE: Theoretical reaction dynamics study of the effect of vibrational excitation of CO on the OH+CO -> H+CO(2) reaction
AUTHORS: Valero, R; Kroes, GJ;
PUBLISHED: 2004, SOURCE: JOURNAL OF PHYSICAL CHEMISTRY A, VOLUME: 108, ISSUE: 41
AUTHORS: Valero, R; Kroes, GJ;
PUBLISHED: 2004, SOURCE: JOURNAL OF PHYSICAL CHEMISTRY A, VOLUME: 108, ISSUE: 41
8
TITLE: Theoretical rate constants for the OH plus CO -> H+CO2 reaction using variational transition state theory on analytical potential energy surfaces Full Text
AUTHORS: Valero, R; Kroes, GJ;
PUBLISHED: 2002, SOURCE: JOURNAL OF CHEMICAL PHYSICS, VOLUME: 117, ISSUE: 19
AUTHORS: Valero, R; Kroes, GJ;
PUBLISHED: 2002, SOURCE: JOURNAL OF CHEMICAL PHYSICS, VOLUME: 117, ISSUE: 19
