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51

Post-Hartree-Fock studies of the He/Mg(0001) interaction: Anti-corrugation, screening, and pairwise additivity

de Lara-Castells, María Pilar, Fernández-Perea, Ricardo, Madzharova, Fani, Voloshina, Elena

Journal:

The Journal of Chemical Physics

Year:

2016

Language:

english

File:

PDF, 1.26 MB

english, 2016

52

Hydrothermal system and acid lakes of Golovnin caldera, Kunashir, Kuril Islands: Geochemistry, solute fluxes and heat output

Kalacheva, Elena, Taran, Yuri, Voloshina, Ekaterina, Inguaggiato, Salvatore

Journal:

Journal of Volcanology and Geothermal Research

Year:

2017

Language:

english

File:

PDF, 1.98 MB

english, 2017

53

Growth and electronic structure of graphene on semiconducting Ge(110)

Tesch, Julia, Voloshina, Elena, Fonin, Mikhail, Dedkov, Yuriy

Journal:

Year:

2017

Language:

english

File:

PDF, 8.31 MB

english, 2017

54

surface

Tesch, Julia, Voloshina, Elena, Jubitz, Milan, Dedkov, Yuriy, Fonin, Mikhail

Journal:

Physical Review B

Year:

2017

Language:

english

File:

PDF, 2.67 MB

english, 2017

55

Comment on “Spin–Orbit Coupling Induced Gap in Graphene on Pt(111) with Intercalated Pb Monolayer”

Dedkov, Yuriy, Voloshina, Elena

Journal:

Year:

2017

Language:

english

File:

PDF, 1.15 MB

english, 2017

56

Synthesis and study of antimicrobial activity of quaternary ammonium benzofuroxan salts

Chugunova, Elena A., Akylbekov, Nurgali I., Mahrous, Essam M., Voloshina, Alexandra D., Kulik, Natalia V., Zobov, Vladimir V., Strelnik, Anna G., Gerasimova, Tatiana P., Dobrynin, Alexey B., Burilov,

Journal:

Monatshefte für Chemie - Chemical Monthly

Year:

2017

Language:

english

File:

PDF, 644 KB

english, 2017

57

Realistic Large-Scale Modeling of Rashba and Induced Spin-Orbit Effects in Graphene/High-Z-Metal Systems

Voloshina, Elena, Dedkov, Yuriy

Journal:

Advanced Theory and Simulations

Year:

2018

Language:

english

File:

PDF, 1.39 MB

english, 2018

58

Interaction of Water Molecules with the α-Fe 2 O 3 (0001) Surface: A Combined Experimental and Computational Study

Schöttner, Ludger, Ovcharenko, Roman, Nefedov, Alexei, Voloshina, Elena, Wang, Yuemin, Sauer, Joachim, Wöll, Christof

Journal:

The Journal of Physical Chemistry C

Year:

2019

Language:

english

File:

PDF, 919 KB

english, 2019

59

Electronic Structure and Magnetic Properties of the Graphene/Ni 3 Mn/Ni(111) Trilayer

Voloshina, Elena, Guo, Qilin, Paulus, Beate, Böttcher, Stefan, Vita, Hendrik, Horn, Karsten, Zhao, Changbao, Cui, Yi, Dedkov, Yuriy

Journal:

The Journal of Physical Chemistry C

Year:

2019

File:

PDF, 6.44 MB

2019

60

Spintronics: Realistic Large-Scale Modeling of Rashba and Induced Spin-Orbit Effects in Graphene/High-Z-Metal Systems (Adv. Theory Simul. 10/2018)

Voloshina, Elena, Dedkov, Yuriy

Journal:

Advanced Theory and Simulations

Year:

2018

File:

PDF, 14.11 MB

2018

61

6-Methoxy-3,3’,3’-Trimethylspiro[2H-1-Benzopyran-2,1’[2]Oxaindan]: Separation Of Enantiomers, Circular Dichroism Measurements And Determination Of The Absolute Configuration

Voloshina, Elena N., Wang, Yuekui, Voloshina, Nikolai A., Raabe, Gerhard, Gais, Hans-Joachim, Fleischhauer, Jörg

Journal:

Zeitschrift für Naturforschung A

Year:

2003

File:

PDF, 1.42 MB

2003

62

Intercalation of O 2 and N 2 in the Graphene/Ni Interfaces of Different Morphology

Zhao, Changbao, Li, Jiayi, Dai, Jiuxiang, Voloshina, Elena, Dedkov, Yuriy, Cui, Yi

Journal:

The Journal of Physical Chemistry C

Year:

2019

Language:

english

File:

PDF, 19.03 MB

english, 2019

63

Intercalation of O 2 and N 2 in the Graphene/Ni Interfaces of Different Morphology

Zhao, Changbao, Li, Jiayi, Dai, Jiuxiang, Voloshina, Elena, Dedkov, Yuriy, Cui, Yi

Journal:

The Journal of Physical Chemistry C

Year:

2019

File:

PDF, 19.03 MB

2019

64

Unoccupied Electronic Band Structure of Pentagonal Si Nanoribbons on Ag(110)

Kleimeier, Nils Fabian, Wenzel, Gabi, Urban, Adrian Joe, Tchalala, Mohamed Rachid, Oughaddou, Hamid, Dedkov, Yuriy, Voloshina, Elena, Zacharias, Helmut

Journal:

Physical Chemistry Chemical Physics

Year:

2019

Language:

english

File:

PDF, 8.41 MB

english, 2019

65

Chemical weathering fluxes from Paramushir volcanic island (Kuril Island arc, Russia)

Kalacheva, Elena, Kotenko, Tatiana, Voloshina, Ekaterina, Chudaev, O., Kharaka, Y., Harmon, R., Millot, R., Shouakar-Stash, O.

Journal:

E3S Web of Conferences

Year:

2019

Language:

english

File:

PDF, 724 KB

english, 2019

66

[Chemical Modelling] Chemical Modelling Volume 6 || Wavefunction-based ab initio correlation method for metals: application of the incremental scheme to Be, Mg, Zn, Cd, and Hg

Voloshina, Elena

Year:

2009

Language:

english

File:

PDF, 3.27 MB

english, 2009

67

[AIP COMPUTATIONAL METHODS IN SCIENCE AND ENGINEERING: Theory and Computation: Old Problems and New Challenges. Lectures Presented at the International Conference on Computational Methods in Science and Engineering 2007 (ICCMSE 2007): VOLUME 1 - ()] AIP Conference Proceedings - Electron-Correlation Effects in Metals from First Principles: a Multi-Reference Incremental Scheme

Voloshina, Elena, Paulus, Beate, Simos, Theodore E., Maroulis, George

Year:

2007

Language:

english

File:

PDF, 899 KB

english, 2007

68

[AIP COMPUTATIONAL METHODS IN SCIENCE AND ENGINEERING: Theory and Computation: Old Problems and New Challenges. Lectures Presented at the International Conference on Computational Methods in Science and Engineering 2007 (ICCMSE 2007): VOLUME 1 - ()] AIP Conference Proceedings - Electron-Correlation Effects in Metals from First Principles: a Multi-Reference Incremental Scheme

Voloshina, Elena, Paulus, Beate, Simos, Theodore E., Maroulis, George

Year:

2007

File:

PDF, 899 KB

2007

69

Electronic, magnetic and optical properties of MnPX 3 (X = S, Se) monolayers with and without chalcogen defects: a first-principles study

Yang, Juntao, Zhou, Yong, Guo, Qilin, Dedkov, Yuriy, Voloshina, Elena

Journal:

Year:

2020

Language:

english

File:

PDF, 2.09 MB

english, 2020

70

Bis(Î±âhydroxycycloalkyl)phosphine Oxides Obtained from White Phosphorus via Phosphine Oxide H3PO: Synthesis, Molecular Structure, Coordination Properties and Biological Activity

Yakhvarov, Dmitry Grigorievich, Gorbachuk, Elena, Badeeva, Elena, Gubaidullin, Aidar, Samigullina, Aida, Voloshina, Alexandra, Sapunova, Anastasiia, Hey-Hawkins, Evamarie, Sinyashin, Oleg

Journal:

Year:

2020

File:

PDF, 1.24 MB

2020

71

Epitaxial graphene/Ge interfaces: a minireview

Dedkov, Yuriy, Voloshina, Elena

Journal:

Year:

2020

File:

PDF, 6.04 MB

2020

72

Functional Properties of Metallocomplexes with Glucamine Moiety - CTAB Micellar Systems

Ibatullina, Marina R, Zhiltsova, Elena P, Lukashenko, Svetlana S, Nizameev, Irek R, Voloshina, Alexandra D, Sapunova, Anastasiia S, Lenina, Oxana A, Kadirov, Marsil K, Zakharova, Lucia Ya

Journal:

Surface Innovations

Year:

2020

File:

PDF, 823 KB

2020

73

Dirac Fermions in HalfâMetallic Ferromagnetic Mixed Cr1âxM x PSe 3 Monolayers

Yang, Juntao, Zhou, Yong, Dedkov, Yuriy, Voloshina, Elena

Journal:

Advanced Theory and Simulations

Year:

2020

File:

PDF, 855 KB

2020

74

Design of Novel 4-Aminobenzofuroxans and Evaluation of Their Antimicrobial and Anticancer Activity

Chugunova, Elena, Gazizov, Almir, Sazykina, Marina, Akylbekov, Nurgali, Gildebrant, Anastasiya, Sazykin, Ivan, Burilov, Alexander, Appazov, Nurbol, Karchava, Shorena, Klimova, Maria, Voloshina, Alexan

Journal:

International Journal of Molecular Sciences

Year:

2020

File:

PDF, 5.00 MB

2020

75

Intercalation of Mn in graphene/Cu(111) interface: insights to the electronic and magnetic properties from theory

Guo, Qilin, Dedkov, Yuriy, Voloshina, Elena

Journal:

Scientific Reports

Year:

2020

File:

PDF, 4.47 MB

2020

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