scholarly journals Low temperature dependence of protein-water interactions on barstar surface: A nano-scale modelling

2018 ◽  
Vol 272 ◽  
pp. 902-911
Author(s):  
M.C. Morón
2016 ◽  
Vol 18 (14) ◽  
pp. 9377-9387 ◽  
Author(s):  
María Carmen Morón ◽  
Diego Prada-Gracia ◽  
Fernando Falo

A method to predict magnitudes in quantitative agreement with experimental data has been devised and applied to model water–water interactions at low temperature.


1996 ◽  
Vol 442 ◽  
Author(s):  
J.-M. Spaeth ◽  
S. Greulich-Weber ◽  
M. März ◽  
E. N. Kalabukhova ◽  
S. N. Lukin

AbstractThe electronic structure of nitrogen donors in 6H-, 4H- and 3C-SiC is investigated by measuring the nitrogen hyperfine (hf) interactions with electron nuclear double resonance (ENDOR) and the temperature dependence of the hf split electron paramagnetic resonance (EPR) spectra. Superhyperfine (shf) interactions with many shells of 13C and 29Si were measured in 6H-SiC. The hf and shf interactions are discussed in the framework of effective mass theory. The temperature dependence is explained with the thermal occupation of the lowest valley-orbit split A1 and E states. It is proposed that the EPR spectra of P donors observed previously in neutron transmuted 6H-SiC at low temperature (<10K) and high temperature (>60K) are all due to substitutional P donors on the two quasi-cubic and hexagonal Si sites, whereby at low temperature the E state is occupied and at high temperature the A1 state. The low temperature spectra are thus thought not to be due to P-vacancy pair defects as proposed previously.


1999 ◽  
Vol 12 (5-8) ◽  
pp. 1097-1102 ◽  
Author(s):  
K.S. Kirn ◽  
Y.H. Seong ◽  
S.C. Yu ◽  
S.H. Han ◽  
H.J. Kim

2006 ◽  
Vol 17 (5) ◽  
pp. 1251-1254 ◽  
Author(s):  
Jiejun Wu ◽  
Jiemin Li ◽  
Guangwei Cong ◽  
Hongyuan Wei ◽  
Panfeng Zhang ◽  
...  

2020 ◽  
Vol 10 (1) ◽  
Author(s):  
Hoang Tung Nguyen ◽  
Van Long Le ◽  
Thi Minh Hai Nguyen ◽  
Tae Jung Kim ◽  
Xuan Au Nguyen ◽  
...  

Abstract We report the temperature dependence of the dielectric function ε = ε1 + iε2 and critical point (CP) energies of biaxial α-SnS in the spectral energy region from 0.74 to 6.42 eV and temperatures from 27 to 350 K using spectroscopic ellipsometry. Bulk SnS was grown by temperature gradient method. Dielectric response functions were obtained using multilayer calculations to remove artifacts due to surface roughness. We observe sharpening and blue-shifting of CPs with decreasing temperature. A strong exciton effect is detected only in the armchair direction at low temperature. New CPs are observed at low temperature that cannot be detected at room temperature. The temperature dependences of the CP energies were determined by fitting the data to the phenomenological expression that contains the Bose–Einstein statistical factor and the temperature coefficient for describing the electron–phonon interaction.


Sign in / Sign up

Export Citation Format

Share Document