Dmitri G Fedorov: search on Z-Library

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1

Geological heritage as a new kind of natural resource in the Siwa Oasis, Egypt: the first assessment, comparison to the Russian South, and sustainable development issues

Sallam, Emad S., Abd El-Aal, Ahmed K., Fedorov, Yury A., Bobrysheva, Olessia R., Ruban, Dmitry A.

Journal:

Journal of African Earth Sciences

Year:

2018

Language:

english

File:

PDF, 9.97 MB

english, 2018

2

Multithreaded parallelization of the energy and analytic gradient in the fragment molecular orbital method

Mironov, Vladimir, Alexeev, Yuri, Fedorov, Dmitri G.

Journal:

International Journal of Quantum Chemistry

Year:

2019

Language:

english

File:

PDF, 1.92 MB

english, 2019

3

Spin–orbit coupling with model core potentials

Dmitri G Fedorov, Mariusz Klobukowski

Journal:

Chemical Physics Letters

Year:

2002

Language:

english

File:

PDF, 87 KB

english, 2002

4

Spin-orbit coupling in molecules: Chemistry beyond the adiabatic approximation

Fedorov, Dmitri G., Koseki, Shiro, Schmidt, Michael W., Gordon, Mark S.

Journal:

International Reviews in Physical Chemistry

Year:

2003

Language:

english

File:

PDF, 468 KB

english, 2003

5

Diffusion energy profiles in silica mesoporous molecular sieves modelled with the fragment molecular orbital method

Roskop, Luke, Fedorov, Dmitri G., Gordon, Mark S.

Journal:

Molecular Physics

Year:

2013

Language:

english

File:

PDF, 739 KB

english, 2013

6

Stabilization of a Hypersonic Boundary Layer Using a Wavy Surface

Bountin, Dmitry, Chimitov, Timur, Maslov, Anatoly, Novikov, Andrey, Egorov, Ivan, Fedorov, Alexander, Utyuzhnikov, Sergey

Journal:

Year:

2013

Language:

english

File:

PDF, 5.16 MB

english, 2013

7

Current Status of Beryllium Materials for Fusion Blanket Applications

Vladimirov, Pavel, Bachurin, Dmitry, Borodin, Vladimir, Chakin, Vladimir, Ganchenkova, Maria, Fedorov, Alexander, Klimenkov, Michael, Kupriyanov, Igor, Moeslang, Anton, Nakamichi, Masaru, Shibayama, T

Journal:

Fusion Science & Technology

Year:

2014

Language:

english

File:

PDF, 2.10 MB

english, 2014

8

Polarizable continuum model with the fragment molecular orbital-based time-dependent density functional theory

Mahito Chiba, Dmitri G. Fedorov, Kazuo Kitaura

Journal:

Journal of Computational Chemistry

Year:

2008

Language:

english

File:

PDF, 578 KB

english, 2008

9

On the accuracy of the 3-body fragment molecular orbital method (FMO) applied to density functional theory

Dmitri G. Fedorov, Kazuo Kitaura

Journal:

Chemical Physics Letters

Year:

2004

Language:

english

File:

PDF, 219 KB

english, 2004

10

Time-dependent density functional theory with the multilayer fragment molecular orbital method

Mahito Chiba, Dmitri G. Fedorov, Kazuo Kitaura

Journal:

Chemical Physics Letters

Year:

2007

Language:

english

File:

PDF, 143 KB

english, 2007

11

Excited state geometry optimizations by time-dependent density functional theory based on the fragment molecular orbital method

Mahito Chiba, Dmitri G. Fedorov, Takeshi Nagata, Kazuo Kitaura

Journal:

Chemical Physics Letters

Year:

2009

Language:

english

File:

PDF, 482 KB

english, 2009

12

Size effects and conductivity of ultrathin Cu films

Dmitry V. Fedorov, Peter Zahn, Ingrid Mertig

Journal:

Thin Solid Films

Year:

2005

Language:

english

File:

PDF, 189 KB

english, 2005

13

A combined effective fragment potential–fragment molecular orbital method. II. Analytic gradient and application to the geometry optimization of solvated tetraglycine and chignolin

Nagata, Takeshi, Fedorov, Dmitri G., Sawada, Toshihiko, Kitaura, Kazuo, Gordon, Mark S.

Journal:

The Journal of Chemical Physics

Year:

2011

Language:

english

File:

PDF, 966 KB

english, 2011

14

Extrinsic Spin Nernst Effect from First Principles

Tauber, Katarina, Gradhand, Martin, Fedorov, Dmitry V., Mertig, Ingrid

Journal:

Physical Review Letters

Year:

2012

Language:

english

File:

PDF, 291 KB

english, 2012

15

Exploring chemistry with the fragment molecular orbital method

Fedorov, Dmitri G., Nagata, Takeshi, Kitaura, Kazuo

Journal:

Physical Chemistry Chemical Physics

Year:

2012

Language:

english

File:

PDF, 2.86 MB

english, 2012

16

Analysis of the giant spin Hall effect in Cu(Bi) alloys

Fedorov, Dmitry V., Herschbach, Christian, Johansson, Annika, Ostanin, Sergey, Mertig, Ingrid, Gradhand, Martin, Chadova, Kristina, Ködderitzsch, Diemo, Ebert, Hubert

Journal:

Physical Review B

Year:

2013

Language:

english

File:

PDF, 381 KB

english, 2013

17

Multicomponent Strongly Interacting Few-Fermion Systems in One Dimension

Volosniev, Artem G., Fedorov, Dmitri V., Jensen, Aksel S., Zinner, Nikolaj T., Valiente, Manuel

Journal:

Few-Body Systems

Year:

2014

Language:

english

File:

PDF, 136 KB

english, 2014

18

Unrestricted density functional theory based on the fragment molecular orbital method for the ground and excited state calculations of large systems

Nakata, Hiroya, Fedorov, Dmitri G., Yokojima, Satoshi, Kitaura, Kazuo, Sakurai, Minoru, Nakamura, Shinichiro

Journal:

The Journal of Chemical Physics

Year:

2014

Language:

english

File:

PDF, 1.45 MB

english, 2014

19

Analytic Gradient for Density Functional Theory Based on the Fragment Molecular Orbital Method

Brorsen, Kurt R., Zahariev, Federico, Nakata, Hiroya, Fedorov, Dmitri G., Gordon, Mark S.

Journal:

Journal of Chemical Theory and Computation

Year:

2014

Language:

english

File:

PDF, 1.08 MB

english, 2014

20

Epitaxial B-Graphene: Large-Scale Growth and Atomic Structure

Usachov, Dmitry Yu., Fedorov, Alexander V., Petukhov, Anatoly E., Vilkov, Oleg Yu., Rybkin, Artem G., Otrokov, Mikhail M., Arnau, Andrés, Chulkov, Evgueni V., Yashina, Lada V., Farjam, Mani, Adamchuk,

Journal:

Year:

2015

Language:

english

File:

PDF, 1.45 MB

english, 2015

21

Unrestricted Hartree-Fock based on the fragment molecular orbital method: Energy and its analytic gradient

Nakata, Hiroya, Fedorov, Dmitri G., Nagata, Takeshi, Yokojima, Satoshi, Ogata, Koji, Kitaura, Kazuo, Nakamura, Shinichiro

Journal:

The Journal of Chemical Physics

Year:

2012

Language:

english

File:

PDF, 673 KB

english, 2012

22

Design of a Self-Adaptive Robotic Leg Using a Triggered Compliant Element

Fedorov, Dmitri, Birglen, Lionel

Journal:

IEEE Robotics and Automation Letters

Year:

2017

Language:

english

File:

PDF, 2.15 MB

english, 2017

23

Frontiers of mid-IR lasers based on transition metal doped chalcogenides

Mirov, Sergey, Moskalev, Igor, Vasilyev, Sergey, Smolski, Viktor, Fedorov, Vladimir, Martyshkin, Dmitry, Peppers, Jeremy, Mirov, Mike, Dergachev, Alex, Gapontsev, Valentin

Journal:

IEEE Journal of Selected Topics in Quantum Electronics

Year:

2018

Language:

english

File:

PDF, 14.40 MB

english, 2018

24

Analysis of solute-solvent interactions using the solvation model density combined with the fragment molecular orbital method

Fedorov, Dmitri G.

Journal:

Chemical Physics Letters

Year:

2018

Language:

english

File:

PDF, 953 KB

english, 2018

25

Calculation of 15 N and 31 P NMR Chemical Shifts of Azoles, Phospholes and Phosphazoles: A Gateway to Higher Accuracy at Less Computational Cost

Rusakov, Yuriy Yu., Rusakova, Irina L., Semenov, Valentin A., Samultsev, Dmitry O., Fedorov, Sergey V., Krivdin, Leonid B.

Journal:

Journal of Physical Chemistry A

Year:

2018

Language:

english

File:

PDF, 3.13 MB

english, 2018

26

Title Determination of three quality parameters in vegetable oils using potentiometric e-tongue

Semenov, Viktor, Volkov, Sergey, Khaydukova, Maria, Fedorov, Alexander, Lisitsyna, Irina, Kirsanov, Dmitry, Legin, Andrey

Journal:

Journal of Food Composition and Analysis

Year:

2018

Language:

english

File:

PDF, 992 KB

english, 2018

27

Role of tetrahedrally coordinated dopants in palladium hydrides on their superconductivity and inverse isotope effect

Ostanin, Sergey, Borisov, Vladislav, Fedorov, Dmitry, Salamatov, Evgenii, Ernst, Arthur, Mertig, Ingrid

Journal:

Journal of Physics Condensed Matter

Year:

2018

Language:

english

File:

PDF, 3.54 MB

english, 2018

28

Spin-polarized Fermi surface, hole-doping and band gap in graphene with boron impurities

Fedorov, Alexander V., Yashina, Lada V., Vilkov, Oleg Yu., Laubschat, Clemens, Vyalikh, Denis V., Usachov, Dmitry Yu.

Journal:

Year:

2018

Language:

english

File:

PDF, 2.63 MB

english, 2018

29

Vegetation and climate changes in northwestern Russia during the Lateglacial and Holocene inferred from the Lake Ladoga pollen record

Savelieva, Larisa A., Andreev, Andrei A., Gromig, Raphael, Subetto, Dmitry A., Fedorov, Grigory B., Wennrich, Volker, Wagner, Bernd, Melles, Martin

Journal:

Year:

2019

Language:

english

File:

PDF, 2.33 MB

english, 2019

30

Deglaciation history of Lake Ladoga (northwestern Russia) based on varved sediments

Gromig, Raphael, Wagner, Bernd, Wennrich, Volker, Fedorov, Grigory, Savelieva, Larisa, Lebas, Elodie , Krastel, Sebastian, Brill, Dominik, Andreev, Andrei, Subetto, Dmitry, Melles, Martin

Journal:

Year:

2019

Language:

english

File:

PDF, 6.89 MB

english, 2019

31

Recent developments in the general atomic and molecular electronic structure system

Barca, Giuseppe M. J., Bertoni, Colleen, Carrington, Laura, Datta, Dipayan, De Silva, Nuwan, Deustua, J. Emiliano, Fedorov, Dmitri G., Gour, Jeffrey R., Gunina, Anastasia O., Guidez, Emilie, Harville,

Journal:

The Journal of Chemical Physics

Year:

2020

File:

PDF, 1.62 MB

2020

32

The electron affinity of astatine

Leimbach, David, Karls, Julia, Guo, Yangyang, Ahmed, Rizwan, Ballof, Jochen, Bengtsson, Lars, Boix Pamies, Ferran, Borschevsky, Anastasia, Chrysalidis, Katerina, Eliav, Ephraim, Fedorov, Dmitry, Fedos

Journal:

Nature Communications

Year:

2020

File:

PDF, 1.72 MB

2020

33

Detecting Cooking State of Grilled Chicken by Electronic Nose and Computer Vision Techniques

Fedorov, Fedor S., Yaqin, Ainul, Krasnikov, Dmitry V., Kondrashov, Vladislav A., Ovchinnikov, George, Kostyukevich, Yury, Osipenko, Sergey, Nasibulin, Albert G.

Journal:

Year:

2020

File:

PDF, 1.65 MB

2020

34

Evidence for a New Two-Dimensional C4H-Type Polymer Based on Hydrogenated Graphene

Danny Haberer, Cristina E. Giusca, Ying Wang, Hermann Sachdev, Alexander V. Fedorov, Mani Farjam, S. Akbar Jafari, Denis V. Vyalikh, Dmitry Usachov, Xianjie Liu, Uwe Treske, Mandy Grobosch, Oleg Vilko

Journal:

Advanced Materials

Year:

2011

Language:

english

File:

PDF, 1.30 MB

english, 2011

35

Graphene: Evidence for a New Two-Dimensional C4H-Type Polymer Based on Hydrogenated Graphene (Adv. Mater. 39/2011)

Danny Haberer, Cristina E. Giusca, Ying Wang, Hermann Sachdev, Alexander V. Fedorov, Mani Farjam, S. Akbar Jafari, Denis V. Vyalikh, Dmitry Usachov, Xianjie Liu, Uwe Treske, Mandy Grobosch, Oleg Vilko

Journal:

Advanced Materials

Year:

2011

File:

PDF, 2.71 MB

2011

36

ChemInform Abstract: Aplydactone, a New Sesquiterpenoid with an Unprecedented Carbon Skeleton from the Sea Hare Aplysia dactylomela, and Its Cargill-Like Rearrangement.

Sergey N. Fedorov, Oleg S. Radchenko, Larisa K. Shubina, Anatoly I. Kalinovsky, Andrey V. Gerasimenko, Dmitry Y. Popov, Valentin A. Stonik

Journal:

Year:

2001

File:

PDF, 28 KB

2001

37

Dissociation Potential Curves of Low-Lying States in Transition Metal Hydrides. Part 2. Hydrides of Groups 3 and 5

Shiro Koseki, Yohei Ishihara, Dmitri G. Fedorov, Hiroaki Umeda, Michael W. Schmidt, Mark S. Gordon

Journal:

Year:

2004

File:

PDF, 63 KB

2004

38

First Examples of Chalcofluoride Rhenium Cluster Complexes with Cubane-Like Anions [Re4Q4F12]4- (Q: S, Se).

Yuri V. Mironov, Spartak S. Yarovoi, Dmitry Y. Naumov, Natalia V. Kuratieva, Svetlana G. Kozlova, Arndt Simon, Vladimir E. Fedorov

Journal:

Year:

2005

File:

PDF, 15 KB

2005

39

Octahedral Hexahydroxo Rhenium Cluster Complexes [Re6Q8(OH)6]4- (Q: S, Se): Synthesis, Structure, and Properties.

Spartak S. Yarovoi, Yuri V. Mironov, Dmitry Y. Naumov, Yuri V. Gatilov, Svetlana G. Kozlova, Sung-Jin Kim, Vladimir E. Fedorov

Journal:

Year:

2005

File:

PDF, 17 KB

2005

40

Synthesis and Structures of Compounds Based on Chalcocyanide Tetranuclear Rhenium Clusters: Bonding Cluster Complexes by diene-Bridged CuII Units

Yuri V. Mironov, Olga A. Efremova, Dmitry Yu. Naumov, William S. Sheldrick, Vladimir E. Fedorov

Journal:

European Journal of Inorganic Chemistry

Year:

2003

Language:

english

File:

PDF, 172 KB

english, 2003

41

First Examples of Chalcofluoride Rhenium Cluster Complexes with Cubane-Like Anions [Re4Q4F12]4– (Q = S, Se)

Yuri V. Mironov, Spartak S. Yarovoi, Dmitry Y. Naumov, Natalia V. Kuratieva, Svetlana G. Kozlova, Arndt Simon, Vladimir E. Fedorov

Journal:

European Journal of Inorganic Chemistry

Year:

2005

Language:

english

File:

PDF, 173 KB

english, 2005

42

Octahedral Hexahydroxo Rhenium Cluster Complexes [Re6Q8(OH)6]4–·(Q = S, Se): Synthesis, Structure, and Properties

Spartak S. Yarovoi, Yuri V. Mironov, Dmitry Y. Naumov, Yuri V. Gatilov, Svetlana G. Kozlova, Sung-Jin Kim, Vladimir E. Fedorov

Journal:

European Journal of Inorganic Chemistry

Year:

2005

Language:

english

File:

PDF, 178 KB

english, 2005

43

Synthesis, Structures and Properties of Cluster Complexes [H3O(Ph3PO)3]2[Mo6Cl14] and [H(Ph3PO)2]2[Re6S6Br8]

Zhyldyz S. Kozhomuratova, Yuri V. Mironov, Michael A. Shestopalov, Irina V. Drebushchak, Nikolay K. Moroz, Dmitry Y. Naumov, Anton I. Smolentsev, Evgenii M. Uskov, Vladimir E. Fedorov

Journal:

European Journal of Inorganic Chemistry

Year:

2007

Language:

english

File:

PDF, 218 KB

english, 2007

44

A new hierarchical parallelization scheme: Generalized distributed data interface (GDDI), and an application to the fragment molecular orbital method (FMO)

Dmitri G. Fedorov, Ryan M. Olson, Kazuo Kitaura, Mark S. Gordon, Shiro Koseki

Journal:

Journal of Computational Chemistry

Year:

2004

Language:

english

File:

PDF, 106 KB

english, 2004

45

The polarizable continuum model (PCM) interfaced with the fragment molecular orbital method (FMO)

Dmitri G. Fedorov, Kazuo Kitaura, Hui Li, Jan H. Jensen, Mark S. Gordon

Journal:

Journal of Computational Chemistry

Year:

2006

Language:

english

File:

PDF, 231 KB

english, 2006

46

Pair interaction energy decomposition analysis

Dmitri G. Fedorov, Kazuo Kitaura

Journal:

Journal of Computational Chemistry

Year:

2007

Language:

english

File:

PDF, 255 KB

english, 2007

47

Accuracy of the three-body fragment molecular orbital method applied to Møller–Plesset perturbation theory

Dmitri G. Fedorov, Kazuya Ishimura, Toyokazu Ishida, Kazuo Kitaura, Peter Pulay, Shigeru Nagase

Journal:

Journal of Computational Chemistry

Year:

2007

Language:

english

File:

PDF, 833 KB

english, 2007

48

Change in a protein's electronic structure induced by an explicit solvent: An ab initio fragment molecular orbital study of ubiquitin

Yuto Komeiji, Toyokazu Ishida, Dmitri G. Fedorov, Kazuo Kitaura

Journal:

Journal of Computational Chemistry

Year:

2007

Language:

english

File:

PDF, 763 KB

english, 2007

49

Fragment molecular orbital study of the electronic excitations in the photosynthetic reaction center of Blastochloris viridis

Tsutomu Ikegami, Toyokazu Ishida, Dmitri G. Fedorov, Kazuo Kitaura, Yuichi Inadomi, Hiroaki Umeda, Mitsuo Yokokawa, Satoshi Sekiguchi

Journal:

Journal of Computational Chemistry

Year:

2010

Language:

english

File:

PDF, 345 KB

english, 2010

50

Energy gradients in combined fragment molecular orbital and polarizable continuum model (FMO/PCM) calculation

Hui Li, Dmitri G. Fedorov, Takeshi Nagata, Kazuo Kitaura, Jan H. Jensen, Mark S. Gordon

Journal:

Journal of Computational Chemistry

Year:

2010

Language:

english

File:

PDF, 440 KB

english, 2010

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