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Accounting for electronic polarization in non-polarizable force fields

Physical chemistry chemical physics : PCCP, 2011-02, Vol.13 (7), p.2613-2626

2011

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Polarizable molecular interactions in condensed phase and their equivalent nonpolarizable models

The Journal of chemical physics, 2014-07, Vol.141 (1), p.014103-014103

2014

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Polarizable Mean-Field Model of Water for Biological Simulations with AMBER and CHARMM Force Fields

Journal of chemical theory and computation, 2012-09, Vol.8 (9), p.3207-3216

2012

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Dynamic and Electronic Polarization Corrections to the Dielectric Constant of Water

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2018-12, Vol.122 (48), p.9243-9250

2018

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Accurate determination of solvation free energies of neutral organic compounds from first principles

Nature communications, 2022-01, Vol.13 (1), p.414-414, Article 414

2022

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On the Evaluation of the Average Crystalline Size and Surface Area of Platinum Catalyst Nanoparticles

physica status solidi (b), 2018-10, Vol.255 (10), p.n/a

2018

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Non-isothermal decomposition of platinum acetylacetonate as a cost-efficient and Size-Controlled Synthesis of Pt/C nanoparticles

Catalysis communications, 2018-12, Vol.117, p.14-18

2018

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Mode Coupling at around M-Point in PZT

Materials, 2022-01, Vol.15 (1), p.79-1-79-9

2022

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Pulse Electrolysis Technique for Preparation of Bimetal Tin-Containing Electrocatalytic Materials

Catalysts, 2022-11, Vol.12 (11), p.1444

2022

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In Situ Investigation of Non‐Isothermal Decomposition of Pt Acetylacetonate as One‐Step Size‐Controlled Synthesis of Pt Nanoparticles

Physica status solidi. A, Applications and materials science, 2018-12, Vol.215 (23), p.n/a

2018

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Non-Isothermal Decomposition as Efficient and Simple Synthesis Method of NiO/C Nanoparticles for Asymmetric Supercapacitors

Nanomaterials (Basel, Switzerland), 2021-01, Vol.11 (1), p.187

2021

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Electrochemically Synthesized Pt/Al2O3 Oxidation Catalysts

Catalysis letters, 2016-02, Vol.146 (2), p.452-463

2016

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Electrochemically synthesized Pt/ TiO2-C catalysts for direct methanol fuel cell applications

Mendeleev communications, 2017-01, Vol.27 (1), p.67-69

2017

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New Electrochemical Approach for the Synthesis of Pd‐PdO/C Electrocatalyst and Application to Formic Acid Electrooxidation

ChemistrySelect (Weinheim), 2019-08, Vol.4 (29), p.8390-8393

2019

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Characterization of the electrocatalytic activity of carbon-supported platinum-based catalysts by thermal gravimetric analysis

Mendeleev communications, 2015-11, Vol.25 (6), p.468-469

2015

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Mechanical allosteric couplings of redox-induced conformational changes in respiratory complex I

Biophysical journal, 2023-02, Vol.122 (3), p.136a-136a

2023

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Mechanical Allosteric Couplings of Redox-Induced Conformational Changes in Respiratory Complex I

The journal of physical chemistry. B, 2022-06, Vol.126 (22), p.4080-4088

2022

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Pt Catalysts Prepared via Top-down Electrochemical Approach: Synthesis Methodology and Support Effects

Journal of Electrochemical Science and Technology, 2024-08, Vol.15 (3), p.345-352

2024

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Pt Catalysts Prepared via Top-down Electrochemical Approach: Synthesis Methodology and Support Effects

Journal of electrochemical science and technology, 2024, Vol.15 (3), p.345-352

2024

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On the importance of accounting for nuclear quantum effects in ab initio calibrated force fields in biological simulations

Proceedings of the National Academy of Sciences - PNAS, 2018-09, Vol.115 (36), p.8878-8882

2018

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Quinone binding in respiratory complex I: Going through the eye of a needle. The squeeze-in mechanism of passing the narrow entrance of the quinone site

Photochemical & photobiological sciences, 2022-01, Vol.21 (1), p.1-12

2022

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Large-scale synthesis of ZnO nanostructures by pulse electrochemical method and their photocatalytic properties

Materials science in semiconductor processing, 2018-03, Vol.76, p.7-13

2018

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Fabrication of nano-In2O3 phase junction by pulse alternating current synthesis for enhanced photoelectrochemical performance: Unravelling the role of synthetic conditions

Ceramics international, 2023-04, Vol.49 (7), p.10986-10992

2023

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Combining Force Fields and Neural Networks for an Accurate Representation of Chemically Diverse Molecular Interactions

Journal of the American Chemical Society, 2023-11, Vol.145 (43), p.23620-23629

2023

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Investigation of the carbon monoxide resistance of platinum catalysts prepared via pulse alternating current technique

Mendeleev communications, 2024-05, Vol.34 (3), p.442-445

2024

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Accounting for electronic polarization in non-polarizable force fields

Polarizable molecular interactions in condensed phase and their equivalent nonpolarizable models

Polarizable Mean-Field Model of Water for Biological Simulations with AMBER and CHARMM Force Fields

Dynamic and Electronic Polarization Corrections to the Dielectric Constant of Water

Accurate determination of solvation free energies of neutral organic compounds from first principles

On the Evaluation of the Average Crystalline Size and Surface Area of Platinum Catalyst Nanoparticles

Non-isothermal decomposition of platinum acetylacetonate as a cost-efficient and Size-Controlled Synthesis of Pt/C nanoparticles

Mode Coupling at around M-Point in PZT

Pulse Electrolysis Technique for Preparation of Bimetal Tin-Containing Electrocatalytic Materials

In Situ Investigation of Non‐Isothermal Decomposition of Pt Acetylacetonate as One‐Step Size‐Controlled Synthesis of Pt Nanoparticles

Non-Isothermal Decomposition as Efficient and Simple Synthesis Method of NiO/C Nanoparticles for Asymmetric Supercapacitors

Electrochemically Synthesized Pt/Al2O3 Oxidation Catalysts

Electrochemically synthesized Pt/ TiO2-C catalysts for direct methanol fuel cell applications

New Electrochemical Approach for the Synthesis of Pd‐PdO/C Electrocatalyst and Application to Formic Acid Electrooxidation

Characterization of the electrocatalytic activity of carbon-supported platinum-based catalysts by thermal gravimetric analysis

Mechanical allosteric couplings of redox-induced conformational changes in respiratory complex I

Mechanical Allosteric Couplings of Redox-Induced Conformational Changes in Respiratory Complex I

Pt Catalysts Prepared via Top-down Electrochemical Approach: Synthesis Methodology and Support Effects

Pt Catalysts Prepared via Top-down Electrochemical Approach: Synthesis Methodology and Support Effects

On the importance of accounting for nuclear quantum effects in ab initio calibrated force fields in biological simulations

Quinone binding in respiratory complex I: Going through the eye of a needle. The squeeze-in mechanism of passing the narrow entrance of the quinone site

Large-scale synthesis of ZnO nanostructures by pulse electrochemical method and their photocatalytic properties

Fabrication of nano-In2O3 phase junction by pulse alternating current synthesis for enhanced photoelectrochemical performance: Unravelling the role of synthetic conditions

Combining Force Fields and Neural Networks for an Accurate Representation of Chemically Diverse Molecular Interactions

Investigation of the carbon monoxide resistance of platinum catalysts prepared via pulse alternating current technique

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