scholarly journals Sodium Diffusion and Dynamics in Na2Ti3O7: Neutron Scattering and Ab-initio Simulations

2022 ◽  
Author(s):  
Ranjan Mittal ◽  
Sajan Kumar ◽  
Mayanak K. Gupta ◽  
Sanjay Kumar Mishra ◽  
Sanghamitra Mukhopadhyay ◽  
...  
Keyword(s):  
Neutron Scattering ◽  
Ab Initio ◽  
Inelastic Neutron Scattering ◽  
Inelastic Neutron ◽  
Ab Initio Simulations ◽  
Sodium Diffusion

We have performed quasielastic and inelastic neutron scattering (QENS and INS) measurements from 300 K to 1173 K to investigate the Na-diffusion and underlying host dynamics in Na2Ti3O7. The QENS...

Measurement and ab initio modeling of the inelastic neutron scattering of solid N-methylformamide

1998 ◽  
Vol 108 (1) ◽  
pp. 351-358 ◽  
Author(s):  
Petr Bouř ◽  
Cheok N. Tam ◽  
Jana Sopková ◽  
Frans R. Trouw
Keyword(s):  
Neutron Scattering ◽  
Ab Initio ◽  
Inelastic Neutron Scattering ◽  
Inelastic Neutron ◽  
Ab Initio Modeling

scholarly journals Magnetic Transitions in Iron Porphyrin Halides by Inelastic Neutron Scattering and Ab Initio Studies of Zero-Field Splittings

2015 ◽  
Vol 54 (20) ◽  
pp. 9790-9801 ◽  
Author(s):  
Shelby E. Stavretis ◽  
Mihail Atanasov ◽  
Andrey A. Podlesnyak ◽  
Seth C. Hunter ◽  
Frank Neese ◽  
...  
Keyword(s):  
Neutron Scattering ◽  
Ab Initio ◽  
Inelastic Neutron Scattering ◽  
Inelastic Neutron ◽  
Iron Porphyrin ◽  
Zero Field ◽  
Magnetic Transitions

scholarly journals Inelastic neutron scattering and ab initio studies of cyclotrimethylenetrinitramine

2016 ◽  
Vol 65 (4) ◽  
pp. 047802 ◽  
Author(s):  
Liu Ben-Qiong ◽  
Song Jian-Ming ◽  
Zhang Wei-Bin ◽  
Luo Wei ◽  
Wang Yan ◽  
...  
Keyword(s):  
Neutron Scattering ◽  
Ab Initio ◽  
Inelastic Neutron Scattering ◽  
Inelastic Neutron
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