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Physical Chemistry Chemical Physics : PCCP
|
January 12, 2021
QM/MM study of the stability of dimethyl ether in zeolites H-ZSM-5 and H-Y
Stefan A F Nastase, C Richard A Catlow, Andrew J Logsdail
Physical Chemistry Chemical Physics : PCCP
|
August 9, 2021
QM/MM study of the reactivity of zeolite bound methoxy and carbene groups
Stefan A F Nastase, Andrew J Logsdail, C Richard A Catlow
Physical Chemistry Chemical Physics : PCCP
|
September 27, 2021
A quantitative multiscale perspective on primary olefin formation from methanol
Toyin Omojola, Andrew J Logsdail, André C van Veen, et al.
The Journal of Chemical Physics
|
February 13, 2026
Practical integration of machine learning into ab initio calculations and workflows: Accelerating the SCF cycle via density matrix predictions
Pavel Stishenko, Chen Qian, Julia Westermayr, et al.
The Journal of Physical Chemistry. C, Nanomaterials and Interfaces
|
October 4, 2023
Computational Study of the Solid-State Incorporation of Sn(II) Acetate into Zeolite β
Owain T Beynon, Alun Owens, Giulia Tarantino, et al.
The Journal of Physical Chemistry Letters
|
November 4, 2016
Controlling Structural Transitions in AuAg Nanoparticles through Precise Compositional Design
Anna L Gould, Kevin Rossi, C Richard A Catlow, et al.
Chemical Science
|
September 3, 2020
Methanol loading dependent methoxylation in zeolite H-ZSM-5
Santhosh K Matam, Stefan A F Nastase, Andrew J Logsdail, et al.
The Journal of Physical Chemistry. C, Nanomaterials and Interfaces
|
May 15, 2012
Overgrowth of Rhodium on Gold Nanorods
Ruth L Chantry, Wilai Siriwatcharapiboon, Sarah L Horswell, et al.
Journal of Physics. Condensed Matter : an Institute of Physics Journal
|
June 20, 2023
Investigation of the Pd<sub>(1-<i>x</i>)</sub>Zn<i><sub>x</sub></i>alloy phase diagram using<i>ab initio</i>modelling approaches
Lara Kabalan, Igor Kowalec, Santiago Rigamonti, et al.
Physical Chemistry Chemical Physics : PCCP
|
December 15, 2020
Tuning the transition barrier of H<sub>2</sub> dissociation in the hydrogenation of CO<sub>2</sub> to formic acid on Ti-doped Sn<sub>2</sub>O<sub>4</sub> clusters
Plaban J Sarma, Dikshita Dowerah, Nand K Gour, et al.
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of 5
Search research articles
Search
Showing results (11-20 of 41) with videos related to
Sort By:
Page
of 5
Physical Chemistry Chemical Physics : PCCP
|
January 12, 2021
QM/MM study of the stability of dimethyl ether in zeolites H-ZSM-5 and H-Y
Stefan A F Nastase, C Richard A Catlow, Andrew J Logsdail
Physical Chemistry Chemical Physics : PCCP
|
August 9, 2021
QM/MM study of the reactivity of zeolite bound methoxy and carbene groups
Stefan A F Nastase, Andrew J Logsdail, C Richard A Catlow
Physical Chemistry Chemical Physics : PCCP
|
September 27, 2021
A quantitative multiscale perspective on primary olefin formation from methanol
Toyin Omojola, Andrew J Logsdail, André C van Veen, et al.
The Journal of Chemical Physics
|
February 13, 2026
Practical integration of machine learning into ab initio calculations and workflows: Accelerating the SCF cycle via density matrix predictions
Pavel Stishenko, Chen Qian, Julia Westermayr, et al.
The Journal of Physical Chemistry. C, Nanomaterials and Interfaces
|
October 4, 2023
Computational Study of the Solid-State Incorporation of Sn(II) Acetate into Zeolite β
Owain T Beynon, Alun Owens, Giulia Tarantino, et al.
The Journal of Physical Chemistry Letters
|
November 4, 2016
Controlling Structural Transitions in AuAg Nanoparticles through Precise Compositional Design
Anna L Gould, Kevin Rossi, C Richard A Catlow, et al.
Chemical Science
|
September 3, 2020
Methanol loading dependent methoxylation in zeolite H-ZSM-5
Santhosh K Matam, Stefan A F Nastase, Andrew J Logsdail, et al.
The Journal of Physical Chemistry. C, Nanomaterials and Interfaces
|
May 15, 2012
Overgrowth of Rhodium on Gold Nanorods
Ruth L Chantry, Wilai Siriwatcharapiboon, Sarah L Horswell, et al.
Journal of Physics. Condensed Matter : an Institute of Physics Journal
|
June 20, 2023
Investigation of the Pd<sub>(1-<i>x</i>)</sub>Zn<i><sub>x</sub></i>alloy phase diagram using<i>ab initio</i>modelling approaches
Lara Kabalan, Igor Kowalec, Santiago Rigamonti, et al.
Physical Chemistry Chemical Physics : PCCP
|
December 15, 2020
Tuning the transition barrier of H<sub>2</sub> dissociation in the hydrogenation of CO<sub>2</sub> to formic acid on Ti-doped Sn<sub>2</sub>O<sub>4</sub> clusters
Plaban J Sarma, Dikshita Dowerah, Nand K Gour, et al.
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