Comprehensive ab-initio calculations of AlNiX (X = P, As and Sb) half-Heusler compounds: Stabilities and applications as green energy resources

2022 ◽  
Vol 275 ◽  
pp. 125233
Author(s):  
Peeyush Kumar Kamlesh ◽  
Rohit Agrawal ◽  
Upasana Rani ◽  
Ajay Singh Verma
Keyword(s):  
Ab Initio Calculations ◽  
Ab Initio ◽  
Green Energy ◽  
Energy Resources ◽  
Heusler Compounds

Millimetre-wave and infrared spectroscopy of Br13 CN: anharmonic force field of cyanogen bromide from spectroscopic data and ab initio calculations

1997 ◽  
Vol 90 (3) ◽  
pp. 495-497
Author(s):  
CLAUDIO ESPOSTI ◽  
FILIPPO TAMASSIA ◽  
CRISTINA PUZZARINI ◽  
RICCARDO TARRONI ◽  
ZDENEK ZELINGER
Keyword(s):  
Infrared Spectroscopy ◽  
Force Field ◽  
Ab Initio Calculations ◽  
Ab Initio ◽  
Spectroscopic Data ◽  
Cyanogen Bromide ◽  
Millimetre Wave ◽  
Anharmonic Force
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