مقاله‌های دارای تعهدات انتشار عمومی - Pavlin D. Mitevبیشتر بدانید
جای دیگری دردسترس نیست: ۶
Maximally resolved anharmonic OH vibrational spectrum of the water/ZnO (101¯ 0) interface from a high-dimensional neural network potential
V Quaranta, M Hellström, J Behler, J Kullgren, PD Mitev, K Hermansson
The Journal of Chemical Physics 148 (24), 2018
تعهدات: German Research Foundation, Swedish Research Council
CO2 Hydration Shell Structure and Transformation
SR Zukowski, PD Mitev, K Hermansson, D Ben-Amotz
The journal of physical chemistry letters 8 (13), 2971-2975, 2017
تعهدات: US National Science Foundation, Swedish Research Council
Vibrational models for a crystal with 36 water molecules in the unit cell: IR spectra from experiment and calculation
PD Mitev, A Eriksson, JF Boily, K Hermansson
Physical Chemistry Chemical Physics 17 (16), 10520-10531, 2015
تعهدات: Swedish Research Council
H‐bond and electric field correlations for water in highly hydrated crystals
A Sen, PD Mitev, A Eriksson, K Hermansson
International Journal of Quantum Chemistry 116 (2), 67-80, 2016
تعهدات: Swedish Research Council
Hydrogen-bond relations for surface OH species
GG Kebede, PD Mitev, P Broqvist, J Kullgren, K Hermansson
The Journal of Physical Chemistry C 122 (9), 4849-4858, 2018
تعهدات: Swedish Research Council
DFT-based Monte Carlo Simulations of Impurity Clustering at CeO2(111)
J Kullgren, MJ Wolf, PD Mitev, K Hermansson, WJ Briels
The Journal of Physical Chemistry C 121 (28), 15127-15134, 2017
تعهدات: Swedish Research Council
جای دیگری دردسترس است: ۱۴
PiNN: A python library for building atomic neural networks of molecules and materials
Y Shao, M Hellstrom, PD Mitev, L Knijff, C Zhang
Journal of chemical information and modeling 60 (3), 1184-1193, 2020
تعهدات: Swedish Research Council, European Commission
Oxygen Vacancies versus Fluorine at : A Case of Mistaken Identity?
J Kullgren, MJ Wolf, CWM Castleton, P Mitev, WJ Briels, K Hermansson
Physical review letters 112 (15), 156102, 2014
تعهدات: Swedish Research Council, UK Engineering and Physical Sciences Research …
The vibrating hydroxide ion in water
K Hermansson, PA Bopp, D Spångberg, L Pejov, I Bakó, PD Mitev
Chemical Physics Letters 514 (1-3), 1-15, 2011
تعهدات: Swedish Research Council
Comparing van der Waals DFT methods for water on NaCl (001) and MgO (001)
GG Kebede, D Spångberg, PD Mitev, P Broqvist, K Hermansson
The Journal of Chemical Physics 146 (6), 2017
تعهدات: Swedish Research Council
Fifty shades of water: Benchmarking DFT functionals against experimental data for ionic crystalline hydrates
G Kebede, PD Mitev, P Broqvist, A Eriksson, K Hermansson
Journal of chemical theory and computation 15 (1), 584-594, 2018
تعهدات: Swedish Research Council
Red-shifting and blue-shifting OH groups on metal oxide surfaces–towards a unified picture
GG Kebede, PD Mitev, WJ Briels, K Hermansson
Physical chemistry chemical physics 20 (18), 12678-12687, 2018
تعهدات: Swedish Research Council
Different structures give similar vibrational spectra: The case of OH− in aqueous solution
PD Mitev, PA Bopp, J Petreska, K Coutinho, H Ågren, L Pejov, ...
The Journal of chemical physics 138 (6), 2013
تعهدات: Swedish Research Council
Comment on “First-principles study of the influence of (110)-oriented strain on the ferroelectric properties of rutile TiO”
K Refson, B Montanari, PD Mitev, K Hermansson, NM Harrison
Physical Review B—Condensed Matter and Materials Physics 88 (13), 136101, 2013
تعهدات: UK Engineering and Physical Sciences Research Council, UK Science and …
SO2 adsorption on rutile TiO2 (110): An infrared reflection-absorption spectroscopy and density functional theory study
D Langhammer, J Kullgren, P Mitev, L Österlund
Surface Science 677, 46-51, 2018
تعهدات: Swedish Research Council
CCS: A software framework to generate two-body potentials using Curvature Constrained Splines
AK AK, E Wadbro, C Köhler, P Mitev, P Broqvist, J Kullgren
Computer Physics Communications 258, 107602, 2021
تعهدات: Swedish Research Council
Large polarization but small electron transfer for water around Al 3+ in a highly hydrated crystal
PD Mitev, I Bakó, A Eriksson, K Hermansson
Physical Chemistry Chemical Physics 16 (20), 9351-9363, 2014
تعهدات: Hungarian Scientific Research Fund, Swedish Research Council
Space-Resolved OH Vibrational Spectra of the Hydration Shell around CO2
PD Mitev, WJ Briels, K Hermansson
The Journal of Physical Chemistry B 125 (51), 13886-13895, 2021
تعهدات: Swedish Research Council
Calculation of anharmonic OH phonon dispersion curves for the Mg (OH) 2 crystal
PD Mitev, K Hermansson, WJ Briels
The Journal of chemical physics 133 (3), 2010
تعهدات: Swedish Research Council
A gold cyano complex in nitromethane: MD simulation and X-ray diffraction
M Probst, N Injan, T Megyes, I Bako, S Balint, J Limtrakul, R Nazmutdinov, ...
Chemical Physics Letters 539, 24-29, 2012
تعهدات: Austrian Science Fund, Swedish Research Council
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