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Marcel Swart

Showing results (41-50 of 123) with videos related to

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Physical Chemistry Chemical Physics : PCCP|March 6, 2023
The peptide bond rupture mechanism in the serine proteases: an <i>in silico</i> study based on sequential scale modelsErik Díaz-Cervantes, Juvencio Robles, Miquel Solà, et al.
Journal of the American Chemical Society|August 17, 2006
Nucleophilic substitution at phosphorus (S(N)2@P): disappearance and reappearance of reaction barriersMarc A van Bochove, Marcel Swart, F Matthias Bickelhaupt
The Journal of Physical Chemistry. A|June 18, 2010
Spin-state-corrected Gaussian-type orbital basis setsMarcel Swart, Mireia Güell, Josep M Luis, et al.
Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry|November 9, 2007
Nucleophilic substitution at phosphorus centers (SN2@p)Marc A van Bochove, Marcel Swart, F Matthias Bickelhaupt
The Journal of Physical Chemistry. A|June 25, 2008
Importance of the basis set for the spin-state energetics of iron complexesMireia Güell, Josep M Luis, Miquel Solà, et al.
Chemistry (Weinheim an Der Bergstrasse, Germany)|February 13, 2013
Diels-Alder and retro-Diels-Alder cycloadditions of (1,2,3,4,5-pentamethyl)cyclopentadiene to La@C(2v)-C(82): regioselectivity and product stabilityMarc Garcia-Borràs, Josep M Luis, Marcel Swart, et al.
Proceedings of the National Academy of Sciences of the United States of America|March 13, 2024
A tale of two topological isomers: Uptuning [Fe<sup>IV</sup>(O)(Me<sub>4</sub>cyclam)]<sup>2+</sup> for olefin epoxidationBittu Chandra, Faiza Ahsan, Yuan Sheng, et al.
Dalton Transactions (Cambridge, England : 2003)|August 23, 2023
Generation of Ru(III)-hypochlorite with resemblance to the heme-dependent haloperoxidase enzymeRakesh Kumar, Faiza Ahsan, Ayushi Awasthi, et al.
The Journal of Physical Chemistry. A|July 13, 2006
Electronic ground states of iron porphyrin and of the first species in the catalytic reaction cycle of cytochrome P450sAndré R Groenhof, Marcel Swart, Andreas W Ehlers, et al.
Journal of the American Chemical Society|October 15, 2016
Tuning the Reactivity of Terminal Nickel(III)-Oxygen Adducts for C-H Bond ActivationPaolo Pirovano, Erik R Farquhar, Marcel Swart, et al.
Pageof 13

Showing results (41-50 of 123) with videos related to

Sort By:
Pageof 13
Physical Chemistry Chemical Physics : PCCP|March 6, 2023
The peptide bond rupture mechanism in the serine proteases: an <i>in silico</i> study based on sequential scale modelsErik Díaz-Cervantes, Juvencio Robles, Miquel Solà, et al.
Journal of the American Chemical Society|August 17, 2006
Nucleophilic substitution at phosphorus (S(N)2@P): disappearance and reappearance of reaction barriersMarc A van Bochove, Marcel Swart, F Matthias Bickelhaupt
The Journal of Physical Chemistry. A|June 18, 2010
Spin-state-corrected Gaussian-type orbital basis setsMarcel Swart, Mireia Güell, Josep M Luis, et al.
Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry|November 9, 2007
Nucleophilic substitution at phosphorus centers (SN2@p)Marc A van Bochove, Marcel Swart, F Matthias Bickelhaupt
The Journal of Physical Chemistry. A|June 25, 2008
Importance of the basis set for the spin-state energetics of iron complexesMireia Güell, Josep M Luis, Miquel Solà, et al.
Chemistry (Weinheim an Der Bergstrasse, Germany)|February 13, 2013
Diels-Alder and retro-Diels-Alder cycloadditions of (1,2,3,4,5-pentamethyl)cyclopentadiene to La@C(2v)-C(82): regioselectivity and product stabilityMarc Garcia-Borràs, Josep M Luis, Marcel Swart, et al.
Proceedings of the National Academy of Sciences of the United States of America|March 13, 2024
A tale of two topological isomers: Uptuning [Fe<sup>IV</sup>(O)(Me<sub>4</sub>cyclam)]<sup>2+</sup> for olefin epoxidationBittu Chandra, Faiza Ahsan, Yuan Sheng, et al.
Dalton Transactions (Cambridge, England : 2003)|August 23, 2023
Generation of Ru(III)-hypochlorite with resemblance to the heme-dependent haloperoxidase enzymeRakesh Kumar, Faiza Ahsan, Ayushi Awasthi, et al.
The Journal of Physical Chemistry. A|July 13, 2006
Electronic ground states of iron porphyrin and of the first species in the catalytic reaction cycle of cytochrome P450sAndré R Groenhof, Marcel Swart, Andreas W Ehlers, et al.
Journal of the American Chemical Society|October 15, 2016
Tuning the Reactivity of Terminal Nickel(III)-Oxygen Adducts for C-H Bond ActivationPaolo Pirovano, Erik R Farquhar, Marcel Swart, et al.
Pageof 13