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51

Toward a Universal Model To Calculate the Solvation Thermodynamics of Druglike Molecules: The Importance of New Experimental Databases

Palmer, David S., Frolov, Andrey I., Ratkova, Ekaterina L., Fedorov, Maxim V.

Journal:

Molecular Pharmaceutics

Year:

2011

Language:

english

File:

PDF, 1.57 MB

english, 2011

52

First-Principles Calculation of the Intrinsic Aqueous Solubility of Crystalline Druglike Molecules

Palmer, David S., McDonagh, James L., Mitchell, John B. O., van Mourik, Tanja, Fedorov, Maxim V.

Journal:

Journal of Chemical Theory and Computation

Year:

2012

Language:

english

File:

PDF, 1.86 MB

english, 2012

53

Progress in fluoride laser ceramics

Doroshenko, Maxim E., Demidenko, Alexey A., Fedorov, Pavel P., Garibin, Evgeniy A., Gusev, Pavel E., Jelinkova, Helena, Konyshkin, Vasiliy A., Krutov, Mikhail A., Kuznetsov, Sergey V., Osiko, Vyachesl

Journal:

Physica status solidi

Year:

2013

Language:

english

File:

PDF, 461 KB

english, 2013

54

Ionic Liquid Near a Charged Wall: Structure and Capacitance of Electrical Double Layer

Fedorov, Maxim V., Kornyshev, Alexei A.

Journal:

Journal of Physical Chemistry B

Year:

2008

Language:

english

File:

PDF, 510 KB

english, 2008

55

Probing the neutral graphene–ionic liquid interface: insights from molecular dynamics simulations

Fedorov, Maxim V., Lynden-Bell, R. M.

Journal:

Physical Chemistry Chemical Physics

Year:

2012

Language:

english

File:

PDF, 1.70 MB

english, 2012

56

SPIE Proceedings [SPIE The International Conference on Coherent and Nonlinear Optics - Minsk, Belarus (Monday 28 May 2007)] ICONO 2007: Nonlinear Laser Spectroscopy and High-Precision Measurements; and Fundamentals of Laser Chemistry and Biophotonics - Terahertz radiation influence on peptide conformation

Cherkasova, Olga P., Fedorov, Vyacheslav I., Nemova, Eugenia F., Popova, Svetlana S., Pogodin, Alexander S., Khamoyan, Avag G., Tikhomirov, Sergey A., Udem, Thomas, Yudin, Valery, Pshenichnikov, Maxim

Year:

2007

Language:

english

File:

PDF, 222 KB

english, 2007

57

Molecular Sinkers: X-ray Photoemission and Atomistic Simulations of Benzoic Acid and Benzoate at the Aqueous Solution/Vapor Interface

Ottosson, Niklas, Romanova, Anastasia O., Söderström, Johan, Björneholm, Olle, Öhrwall, Gunnar, Fedorov, Maxim V.

Journal:

Journal of Physical Chemistry B

Year:

2012

Language:

english

File:

PDF, 2.42 MB

english, 2012

58

Towards a universal method for calculating hydration free energies: a 3D reference interaction site model with partial molar volume correction

Palmer, David S, Frolov, Andrey I, Ratkova, Ekaterina L, Fedorov, Maxim V

Journal:

Journal of Physics Condensed Matter

Year:

2010

Language:

english

File:

PDF, 848 KB

english, 2010

59

On a relationship between molecular polarizability and partial molar volume in water

Ratkova, Ekaterina L., Fedorov, Maxim V.

Journal:

The Journal of Chemical Physics

Year:

2011

Language:

english

File:

PDF, 1.18 MB

english, 2011

60

Nucleus-Independent Chemical Shifts and Aromaticity in Hexanuclear Cluster Complexes [Mo 6 X 8 ] n- (X = S, Se, and Te; n = 0 and 4) of Chevrel Phases

Kozlova, Svetlana G., Ryzhikov, Maxim R., Gabuda, Svyatoslav P., Fedorov, Vladimir E.

Journal:

Journal of Physical Chemistry A

Year:

2012

Language:

english

File:

PDF, 1.59 MB

english, 2012

61

Substitution of bridging S2 ligands in the [Nb2(μ-S2)2]4+ core: a simple route to [Nb2(Se2)2]4+, [Nb2(S)(Te2)]4+ and [Nb2(S)2]4+

Sokolov, Maxim, Imoto, Hideo, Saito, Taro, Fedorov, Vladimir

Journal:

Journal of the Chemical Society Dalton Transactions

Year:

1999

Language:

english

File:

PDF, 201 KB

english, 1999

62

Nb2S44+ Complexes with 1,1-Dithioacid Ligands

Sokolov, Maxim, Virovets, Alexandr, Nadolinnyi, Vladimir, Hegetschweiler, Kaspar, Fedin, Vladimir, Podberezskaya, Nina, Fedorov, Vladimir

Journal:

Inorganic Chemistry

Year:

1994

Language:

english

File:

PDF, 798 KB

english, 1994

63

α-Cyclodextrin/aminobenzoic acid binding in salt solutions at different pH: Dependence on guest structure

Romanova, Anastasia, Chibunova, Ekaterina, Kumeev, Roman, Fedorov, Maxim, Terekhova, Irina

Journal:

International Journal of Biological Macromolecules

Year:

2013

Language:

english

File:

PDF, 401 KB

english, 2013

64

Influence of the Drude charge value on the performance of polarisable water model: A test for microscopic and macroscopic parameters

Asmadi, Aldi, Kirchner, Tom, Abdallah, Wael, Fedorov, Maxim V., Stukan, Mikhail R.

Journal:

Journal of Molecular Liquids

Year:

2013

Language:

english

File:

PDF, 569 KB

english, 2013

65

Salting out in organic solvents: a new route to carbon nanotube bundle engineering

Fedorov, Maxim V., Arif, Raz N., Frolov, Andrey I., Kolar, Martin, Romanova, Anastasia O., Rozhin, Aleksey G.

Journal:

Physical Chemistry Chemical Physics

Year:

2011

Language:

english

File:

PDF, 2.09 MB

english, 2011

66

Solvent Binding Analysis and Computational Alanine Scanning of the Bovine Chymosin–Bovine κ-Casein Complex Using Molecular Integral Equation Theory

Palmer, David S., Sørensen, Jesper, Schiøtt, Birgit, Fedorov, Maxim V.

Journal:

Journal of Chemical Theory and Computation

Year:

2013

Language:

english

File:

PDF, 3.38 MB

english, 2013

67

Electroabsorption by 0D, 1D, and 2D Nanocrystals: A Comparative Study of CdSe Colloidal Quantum Dots, Nanorods, and Nanoplatelets

Achtstein, Alexander W., Prudnikau, Anatol V., Ermolenko, Maxim V., Gurinovich, Leonid I., Gaponenko, Sergey V., Woggon, Ulrike, Baranov, Alexander V., Leonov, Mikhail Yu., Rukhlenko, Ivan D., Fedorov

Journal:

Year:

2014

Language:

english

File:

PDF, 811 KB

english, 2014

68

Hydration Thermodynamics Using the Reference Interaction Site Model: Speed or Accuracy?

Frolov, Andrey I., Ratkova, Ekaterina L., Palmer, David S., Fedorov, Maxim V.

Journal:

Journal of Physical Chemistry B

Year:

2011

Language:

english

File:

PDF, 3.30 MB

english, 2011

69

Spin–Orbit Coupling and dn–dnInteractions in A3M2X9Enneahalodimetalates

Kozlova, Svetlana G., Ryzhikov, Maxim R., Slepkov, Vladimir A., Gabuda, Svyatoslav P., Fedorov, Vladimir E.

Journal:

Journal of Cluster Science

Year:

2015

Language:

english

File:

PDF, 555 KB

english, 2015

70

[OSA Advanced Solid-State Photonics - Incline Village, Nevada (2006..-..)] Advanced Solid-State Photonics - Stimulated Raman Scattering in the Mid IR Range 2.31-2.75-3.7 µm in a BaWO4 Crystal under 1.9 and 1.56 µm Pumping

Basiev, Tasoltan T., Basieva, Marina N., Doroshenko, Maxim E., Fedorov, Vladimir V., Osiko, Vyacheslav V., Mirov, Sergey B.

Year:

2006

Language:

english

File:

PDF, 176 KB

english, 2006

71

[IEEE 2014 15th International Conference of Young Specialists on Micro/Nanotechnologies and Electron Devices (EDM) - Novosibirsk, Russia (2014.6.30-2014.7.4)] 2014 15th International Conference of Young Specialists on Micro/Nanotechnologies and Electron Devices (EDM) - Influence of discharge circuit reactance on CuBr laser output

Gubarev, Fedor A., Trigub, Maxim V., Fedorov, Kirill V.

Year:

2014

Language:

english

File:

PDF, 515 KB

english, 2014

72

Ionic Liquid Near a Charged Wall: Structure and Capacitance of Electrical Double Layer

Fedorov, Maxim V., Kornyshev, Alexei A.

Journal:

Journal of Physical Chemistry B

Year:

2009

Language:

english

File:

PDF, 18 KB

english, 2009

73

Reference interaction site model study of self-aggregating cyanine dyes

Chuev, Gennady N., Fedorov, Maxim V.

Journal:

The Journal of Chemical Physics

Year:

2009

Language:

english

File:

PDF, 780 KB

english, 2009

74

Dynamic and Static Characteristics of Drug Dissolution in Supercritical CO 2 by Infrared Spectroscopy: Measurements of Acetaminophen Solubility in a Wide Range of State Parameters

Oparin, Roman D., Idrissi, Abdenacer, Fedorov, Maxim V., Kiselev, Michael G.

Journal:

Journal of Chemical & Engineering Data

Year:

2014

Language:

english

File:

PDF, 410 KB

english, 2014

75

Unravelling the solvent response to neutral and charged solutes

Fedorov, Maxim V., Kornyshev, Alexei A.

Journal:

Molecular Physics

Year:

2007

Language:

english

File:

PDF, 545 KB

english, 2007

76

Density functional study of polarons and bipolarons in polar liquids

Chuev, Gennady N., Fedorov, Maxim V., Russo, Nino

Journal:

Physical Review B

Year:

2003

Language:

english

File:

PDF, 161 KB

english, 2003

77

Structure and stability of chiral β-tapes: A computational coarse-grained approach

Bellesia, Giovanni, Fedorov, Maxim V., Kuznetsov, Yuri A., Timoshenko, Edward G.

Journal:

The Journal of Chemical Physics

Year:

2005

Language:

english

File:

PDF, 918 KB

english, 2005

78

Synthesis, Molecular and Crystal Structure of 3′-N-Alkylamino-3′-deoxythymidines and Some Biochemical Properties of Their Phosphorous Esters

Jasko, Maxim V., Fedorov, lvati I., Atrazhev, Alexey M., Mozzherin, Diriiitry Yu., Novicov, Nicolay A., Bochkarev, Alexey V., Gurskaya, Gnliiia V., Krayevsky, Alexander A.

Journal:

Nucleosides and Nucleotides

Year:

1995

Language:

english

File:

PDF, 706 KB

english, 1995

79

Solvent effects and hydration of a tripeptide in sodium halide aqueous solutions: an in silico study

Fedorov, Maxim V., Goodman, Jonathan M., Schumm, Stephan

Journal:

Physical Chemistry Chemical Physics

Year:

2007

Language:

english

File:

PDF, 2.00 MB

english, 2007

80

Theoretical Study of the Lithium Diffusion in the Crystalline and Amorphous Silicon as well as on its Surface

Fedorov, Aleksandr S., Kuzubov, Aleksandr A., Eliseeva, Natalya S., Popov, Zakhar I., Visotin, Maxim A., Galkin, Nikolay G.

Journal:

Solid State Phenomena

Year:

2014

Language:

english

File:

PDF, 1.99 MB

english, 2014

81

SPIE Proceedings [SPIE SPIE LASE - San Francisco, California, United States (Saturday 1 February 2014)] Solid State Lasers XXIII: Technology and Devices - Diode pumped tunable lasers based on Tm:CaF 2 and Tm:Ho:CaF 2 ceramics

Clarkson, W. Andrew, Shori, Ramesh K., Šulc, Jan, Nemec, Michal, Jelinková, Helena, Doroshenko, Maxim E., Fedorov, Pavel P., Osiko, Vyacheslav V.

Year:

2014

Language:

english

File:

PDF, 688 KB

english, 2014

82

SPIE Proceedings [SPIE SPIE LASE - San Francisco, California, United States (Saturday 7 February 2015)] Solid State Lasers XXIV: Technology and Devices - Temperature influence on diode pumped Er:CaF 2 laser

Clarkson, W. Andrew, Shori, Ramesh K., Šulc, Jan, Švejkar, Richard, Němec, Michal, Jelínková, Helena, Doroshenko, Maxim E., Fedorov, Pavel P., Osiko, Vyacheslav V.

Year:

2015

Language:

english

File:

PDF, 899 KB

english, 2015

83

Analysis of nonuniformity in intron phase distribution

Fedorov, Alexey, Suboch, Gennadiy, Bujakov, Maxim, Fedorova, Larisa

Journal:

Nucleic Acids Research

Year:

1992

Language:

english

File:

PDF, 519 KB

english, 1992

84

Diode-pumped Er:CaF_2 ceramic 27 μm tunable laser

Šulc, Jan, Němec, Michal, Švejkar, Richard, Jelínková, Helena, Doroshenko, Maxim E., Fedorov, Pavel P., Osiko, Vyacheslav V.

Journal:

Year:

2013

Language:

english

File:

PDF, 647 KB

english, 2013

85

Synthesis of Molecular Dodecanuclear Carbon-centered Rhenium Cluster Re12CS17 and its Conducting Properties

Efimovich Fedorov, Vladimir, Petrovich Gabuda, Svyatoslav, Gennad'evna Kozlova, Svetlana, Maksumovich Gayfulin, Yakov, Vladimirovich Mironov, Yuri, Raisovich Rizhikov, Maxim, Favstovich Uvarov, Nikola

Journal:

Croatica Chemica Acta

Year:

2012

Language:

english

File:

PDF, 2.63 MB

english, 2012

86

Structural monitoring system with fiber Bragg grating sensors: implementation and software solution

Fedorov, Aleksey, Lazarev, Vladimir, Makhrov, Ilya, Pozhar, Nikolay, Anufriev, Maxim, Pnev, Alexey, Karasik, Valeriy

Journal:

Journal of Physics Conference Series

Year:

2015

Language:

english

File:

PDF, 1.46 MB

english, 2015

87

[OSA Advanced Solid-State Photonics - Denver, Colorado (2009..-..)] Advanced Solid-State Photonics - Spectroscopic and Oscillation Properties of Yb^3+Ions in BaF^2-SrF^2-CaF^2Crystals and Ceramics

Alimov, Olimkhon K., Basiev, Tasoltan T., Doroshenko, Maxim E., Fedorov, Pavel P., Konyushkin, Vasilii A., Kouznetsov, Sergey V., Nakladov, Andrey N., Osiko, Vyacheslav V., Jelinkova, Helena, Šulc, Ja

Year:

2009

Language:

english

File:

PDF, 348 KB

english, 2009

88

Ab initio and empirical modeling of lithium atoms penetration into silicon

Mikhaleva, Natalia S., Visotin, Maxim A., Popov, Zakhar I., Kuzubov, Alexander A., Fedorov, Alexander S.

Journal:

Computational Materials Science

Year:

2015

Language:

english

File:

PDF, 1.54 MB

english, 2015

89

New bis-o-quinone with azine spacer and its cyclization into indazolo[2,1-a]indazole system

Arsenyev, Maxim V., Baranov, Eugene V., Fedorov, Alexey Yu., Chesnokov, Sergey A., Abakumov, Gleb A.

Journal:

Mendeleev Communications

Year:

2015

Language:

english

File:

PDF, 371 KB

english, 2015

90

Accurate calculations of the hydration free energies of druglike molecules using the reference interaction site model

Palmer, David S., Sergiievskyi, Volodymyr P., Jensen, Frank, Fedorov, Maxim V.

Journal:

The Journal of Chemical Physics

Year:

2010

Language:

english

File:

PDF, 506 KB

english, 2010

91

Communication: Accurate hydration free energies at a wide range of temperatures from 3D-RISM

Misin, Maksim, Fedorov, Maxim V., Palmer, David S.

Journal:

The Journal of Chemical Physics

Year:

2015

Language:

english

File:

PDF, 3.11 MB

english, 2015

92

Fast and General Method To Predict the Physicochemical Properties of Druglike Molecules Using the Integral Equation Theory of Molecular Liquids

Palmer, David S., Mišin, Maksim, Fedorov, Maxim V., Llinas, Antonio

Journal:

Molecular Pharmaceutics

Year:

2015

Language:

english

File:

PDF, 2.00 MB

english, 2015

93

Pulsed mid-IR Cr 2+ :ZnS and Cr 2+ :ZnSe lasers pumped by Raman-shifted Q -switched neodymium lasers

Graham, K, Fedorov, V V, Mirov, S B, Doroshenko, Maxim E, Basiev, Tasoltan T, Orlovskii, Yu V, Osiko, Vyacheslav V, Badikov, Valerii V, Panyutin, V L

Journal:

Quantum Electronics

Year:

2004

Language:

english

File:

PDF, 332 KB

english, 2004

94

Regularities of Changing Amorphous Metallic Alloys Properties under Exposure to External Influences

Fedorov, Victor, Yakovlev, Alexey, Pluzhnikova, Tatiana, Berezner, Arseniy, Fedotov, Dmitry, Kombarov, Maxim

Journal:

Applied Mechanics and Materials

Year:

2015

Language:

english

File:

PDF, 762 KB

english, 2015

95

[OSA Advanced Solid State Lasers - Paris (2013..-..)] Advanced Solid-State Lasers Congress - Resonantly Diode Pumping of Tm:CaF2 and Tm:Ho:CaF2 Lasers

Sulc, Jan, Nemec, Michal, Jelinkova, Helena, Doroshenko, Maxim E., Fedorov, Pavel, Osiko, Vyacheslav

Year:

2013

Language:

english

File:

PDF, 212 KB

english, 2013

96

[OSA Advanced Solid-State Photonics - Denver, Colorado (2009..-..)] Advanced Solid-State Photonics - Tunability of Lasers Based on Yb^3+-Doped Fluorides SrF^2, SrF^2-CaF^2, SrF^2-BaF^2, and YLF

Šulc, Jan, Jelínková, Helena, Doroshenko, Maxim E., Basiev, Tasoltan T., Konyushkin, Vasily A., Fedorov, Pavel P.

Year:

2009

Language:

english

File:

PDF, 637 KB

english, 2009

97

[OSA Novel Lasers and Devices-Basic Aspects - Munich, Germany (1999..-..)] Novel Lasers and Devices-Basic Aspects - Perspectives of tungstate crystals for Raman lasers

Basiev, Tasoltan T., Zverev, Petr G., Sobol, Alexander A., Fedorov, Vladimir V., Doroshenko, Maxim E., Skornyakov, Vadim V., Ivleva, Ludmila I., Osiko, Vyacheslav V.

Year:

1999

Language:

english

File:

PDF, 353 KB

english, 1999

98

Molecular origin of high free energy barriers for alkali metal ion transfer through ionic liquid–graphene electrode interfaces

Ivaništšev, Vladislav, Méndez-Morales, Trinidad, Lynden-Bell, Ruth M., Cabeza, Oscar, Gallego, Luis J., Varela, Luis M., Fedorov, Maxim V.

Journal:

Physical Chemistry Chemical Physics

Year:

2016

Language:

english

File:

PDF, 2.23 MB

english, 2016

99

Self-interaction error in DFT-based modelling of ionic liquids

Lage-Estebanez, Isabel, Ruzanov, Anton, García de la Vega, José M., Fedorov, Maxim V., Ivaništšev, Vladislav B.

Journal:

Physical Chemistry Chemical Physics

Year:

2016

Language:

english

File:

PDF, 2.49 MB

english, 2016

100

Hydration Free Energies of Ionic Species by Molecular Theory and Simulation

Misin, Maksim, Fedorov, Maxim V., Palmer, David S.

Journal:

Journal of Physical Chemistry B

Year:

2016

Language:

english

File:

PDF, 1.24 MB

english, 2016