scholarly journals Are disulfide bonds resilient to double ionization? Insights from coincidence spectroscopy and ab initio calculations

RSC Advances ◽  
2020 ◽  
Vol 10 (58) ◽  
pp. 35039-35048
Author(s):  
Lautaro R. Varas ◽  
Felipe Fantuzzi ◽  
Lúcia Helena Coutinho ◽  
Rafael B. Bernini ◽  
Marco Antonio Chaer Nascimento ◽  
...  
Keyword(s):  
Ab Initio Calculations ◽  
Ab Initio ◽  
Thermodynamic Stability ◽  
Disulfide Bonds ◽  
Double Ionization ◽  
Core Shell ◽  
Multiply Charged ◽  
Ionization Processes ◽  
Shell Ionization ◽  
Coincidence Spectroscopy

Disulfide bonds (–S–S–) are severely damaged as a consequence of sulfur core–shell ionization processes, which is related to their low thermodynamic stability in multiply-charged systems.

From Ab Initio Calculations to Multiscale Design of Si/C Core–Shell Particles for Li-Ion Anodes

Nano Letters ◽  
2014 ◽  
Vol 14 (4) ◽  
pp. 2140-2149 ◽  
Author(s):  
Maria E. Stournara ◽  
Yue Qi ◽  
Vivek B. Shenoy
Keyword(s):  
Ab Initio Calculations ◽  
Ab Initio ◽  
Core Shell ◽  
Li Ion ◽  
Shell Particles

scholarly journals Thermodynamic stability of various phases of zinc tin oxides from ab initio calculations

2013 ◽  
Vol 1 (39) ◽  
pp. 6364 ◽  
Author(s):  
Joohwi Lee ◽  
Seung-Cheol Lee ◽  
Cheol Seong Hwang ◽  
Jung-Hae Choi
Keyword(s):  
Ab Initio Calculations ◽  
Ab Initio ◽  
Thermodynamic Stability ◽  
Tin Oxides

Photodissociation dynamics of halogenated aromatic molecules: the case of core-ionized tetrabromothiophene

2021 ◽  
Author(s):  
Lassi Pihlava ◽  
Johannes Niskanen ◽  
Kuno Kooser ◽  
Christian Stråhlman ◽  
Sylvain Maclot ◽  
...  
Keyword(s):  
Synchrotron Radiation ◽  
Gas Phase ◽  
Aromatic Molecule ◽  
Core Shell ◽  
X Ray ◽  
Aromatic Molecules ◽  
Shell Ionization ◽  
Coincidence Spectroscopy

We studied gas-phase photodissociation of a fully halogenated aromatic molecule, tetrabromothiophene, upon core-shell ionization by using synchrotron radiation and energy-resolved multiparticle coincidence spectroscopy. Photodynamics was initiated by selective soft x-ray...

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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