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Shedding synchrotron light on noble metal nanocatalyst strain dynamics

Shedding synchrotron light on noble metal nanocatalyst strain dynamics
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Poitou Charentes , Savoie Mont Blanc , Technical University Of Berlin , University Of Grenoble , Technical University , Density Functional Theory , Oxygen Reduction Reaction , Strain Dynamics , Noble Metal Nanocatalysts , Grenoble Alpes ,

Shedding synchrotron light on noble metal nanocatalyst strain dynamics

Shedding synchrotron light on noble metal nanocatalyst strain dynamics
esrf.fr - get the latest breaking news, showbiz & celebrity photos, sport news & rumours, viral videos and top stories from esrf.fr Daily Mail and Mail on Sunday newspapers.

Poitou Charentes , Savoie Mont Blanc , Technical University Of Berlin , University Of Grenoble , Technical University , Density Functional Theory , Oxygen Reduction Reaction , Strain Dynamics , Noble Metal Nanocatalysts , Grenoble Alpes ,

BSC's FusionCAT Project Grows Membership to Accelerate Fusion with HPC

BSC's FusionCAT Project Grows Membership to Accelerate Fusion with HPC
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Monte Carlo , Comunidad Autonoma De Cataluna , Mervi Mantsinen , Barcelona Supercomputing Center , Institute Of Materials Science Barcelona , High Performance Computing , Test Blanket Module , High Temperature Superconducting , Materials Science , Density Functional Theory ,

Dr. Manohar – a research scientist with humility, simplicity and kindness

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“
Dr. Chittar Manohar meant a combination of simplicity, nobility, depth of science, humility and ideals! Such people are true diamonds” – Prof. D.O. Shah, Emeritus Professor of Chemical Engineering & Anesthesiology, University of Florida, Gainesville (USA)
Whenever, and wherever I have met Dr. Rajiv Desai, who currently works for Maharashtra Pollution Control Board, Mumbai, his topic of discussion with me invariably is how his career was shaped by Dr. C. Manohar. Rajiv had done his Ph.D. with Dr. Manohar at Bhabha Atomic Research Centre (BARC), Mumbai in 1983, and as a Ph.D. student, he had benefitted immensely through his interactions with Dr. C. Manohar, a famo ....

Pays De La Loire , United States , University Of Florida , Shimoga Karnataka , Rajiv Desai , Chittar Manohar , Santa Claus , Ashish Yakhmi , C Manohar Jan , Society For Industrial Chemistry , Technical Physics Prototype Engineering Division , Hindalco Industries , Head Of Spectroscopy Division , Indian Society For Surface Science , Mumbai University , Central Library , Section Of Chemistry Division , Chemistry Division , Manohar At Bhabha Atomic Research Centre , Head Of Chemistry Division , Jhunjhunwala College , Training School , Emeritus Professor , Chemical Engineering , Maharashtra Pollution Control Board , Bhabha Atomic Research Centre ,

"Understanding the Intra-Molecular Proton Transfer of Octahydrotriborat" by Peng Gao and Jie Zhang

Abstract
The intra-molecular proton transfer of octahydrotriborate, [B H ] , is discovered by density functional theory (DFT) computational studies; such a transfer can largely impact its dehydrogenation pathways. The DFT calculation results further disclose the generation of another triborane intermediate product, B H , which is formed via inter-molecular proton transfer from [NH ] to [B H ] . Additionally, this intermediate product is unstable and can release hydrogen easily, as the corresponding energy barrier via this pathway is only 12.0 kcal mol . Such a relative energy is much lower than that of the routinely raised pathway, which mainly depends on the dihydrogen interaction between the (Formula presented.) and (Formula presented.). This new mechanism is able to explain several experimental observations involving the dehydrogenation of NH B H . Moreover, the detailed dehydrogenations of NH B H in different states are also studied, and the role of chemical environment ....

Dehydrogenation Pathways , Density Functional Theory , Proton Transfer ,