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Bayesian molecular design with a chemical language model

Journal of computer-aided molecular design, 2017-04, Vol.31 (4), p.379-391

2017

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DFT and TD-DFT calculation of new thienopyrazine-based small molecules for organic solar cells

BMC chemistry, 2016-10, Vol.10 (1), p.1, Article 67

2016

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Design and Application of a High-Temperature Linear Ion Trap Reactor

Journal of the American Society for Mass Spectrometry, 2018-01, Vol.29 (1), p.78-84

2018

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Detailed Structural Characterization of Sphingolipids via 193 nm Ultraviolet Photodissociation and Ultra High Resolution Tandem Mass Spectrometry

Journal of the American Society for Mass Spectrometry, 2017-07, Vol.28 (7), p.1406-1419

2017

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Adduct Formation in ESI/MS by Mobile Phase Additives

Journal of the American Society for Mass Spectrometry, 2017-05, Vol.28 (5), p.887-894

2017

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Influence of Ionization Source Conditions on the Gas-Phase Protomer Distribution of Anilinium and Related Cations

Journal of the American Society for Mass Spectrometry, 2017-08, Vol.28 (8), p.1575-1586

2017

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Optimization of a New Aerodynamic Cylindrical FAIMS Device for Small Molecule Analysis

Journal of the American Society for Mass Spectrometry, 2017-03, Vol.28 (3), p.525-538

2017

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Sputter-Coated Metal Screening for Small Molecule Analysis and High-Spatial Resolution Imaging in Laser Desorption Ionization Mass Spectrometry

Journal of the American Society for Mass Spectrometry, 2019-02, Vol.30 (2), p.299-308

2019

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Evaluation of restricted probabilistic cellular automata on the exploration of the potential energy surface of Be6B11

Theoretical chemistry accounts, 2020-03, Vol.139 (3), Article 41

2020

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Flame Atmospheric Pressure Chemical Ionization Coupled with Negative Electrospray Ionization Mass Spectrometry for Ion Molecule Reactions

Journal of the American Society for Mass Spectrometry, 2017-07, Vol.28 (7), p.1473-1481

2017

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Similarity of High-Resolution Tandem Mass Spectrometry Spectra of Structurally Related Micropollutants and Transformation Products

Journal of the American Society for Mass Spectrometry, 2017-12, Vol.28 (12), p.2692-2704

2017

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Modern level for properties prediction of iodine-containing organic compounds: the halogen bonds formed by iodine

Russian chemical bulletin, 2017-08, Vol.66 (8), p.1345-1356

2017

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Modulation of Gas-Phase Lithium Cation Basicities by Microsolvation

Journal of the American Society for Mass Spectrometry, 2019-10, Vol.30 (10), p.1857-1866

2019

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Integration of High-Resolution Mass Spectrometry with Cryogenic Ion Vibrational Spectroscopy

Journal of the American Society for Mass Spectrometry, 2019-09, Vol.30 (9), p.1551-1557

2019

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Controlling the elastic modulus of cellulose nanofibril hydrogels—scaffolds with potential in tissue engineering

Cellulose (London), 2015-02, Vol.22 (1), p.473-481

2015

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Identifying the D-Pentoses Using Water Adduction to Lithium Cationized Molecule

Journal of the American Society for Mass Spectrometry, 2017-07, Vol.28 (7), p.1420-1424

2017

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Charge Mediated Compaction and Rearrangement of Gas-Phase Proteins: A Case Study Considering Two Proteins at Opposing Ends of the Structure-Disorder Continuum

Journal of the American Society for Mass Spectrometry, 2017-07, Vol.28 (7), p.1450-1461

2017

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The anticancer agent 3-bromopyruvate: a simple but powerful molecule taken from the lab to the bedside

Journal of Bioenergetics and Biomembranes, 2016-08, Vol.48 (4), p.349-362

2016

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Uncovering Structural Diversity of Unsaturated Fatty Acyls in Cholesteryl Esters via Photochemical Reaction and Tandem Mass Spectrometry

Journal of the American Society for Mass Spectrometry, 2017-07, Vol.28 (7), p.1432-1441

2017

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Effective Ion Mobility Peak Width as a New Isomeric Descriptor for the Untargeted Analysis of Complex Mixtures Using Ion Mobility-Mass Spectrometry

Journal of the American Society for Mass Spectrometry, 2017-11, Vol.28 (11), p.2476-2482

2017

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Synthesis, characterization, anti-ulcer action and molecular docking evaluation of novel benzimidazole-pyrazole hybrids

BMC chemistry, 2017-09, Vol.11 (1), p.1, Article 85

2017

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Structure of polystyrene latex particles determined by electron microscopy

Russian chemical bulletin, 2019-09, Vol.68 (9), p.1735-1740

2019

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Radical Generation from the Gas-Phase Activation of Ionized Lipid Ozonides

Journal of the American Society for Mass Spectrometry, 2017-07, Vol.28 (7), p.1345-1358

2017

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A New Quantification Method Using Electrochemical Mass Spectrometry

Journal of the American Society for Mass Spectrometry, 2019-04, Vol.30 (4), p.685-693

2019

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Alternative trajectories of electron density to plot the atomic connectivity graph in the region of nondirectional interactions

Russian chemical bulletin, 2019-07, Vol.68 (7), p.1343-1349

Ananyev, I. V.

2019

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Bayesian molecular design with a chemical language model

DFT and TD-DFT calculation of new thienopyrazine-based small molecules for organic solar cells

Design and Application of a High-Temperature Linear Ion Trap Reactor

Detailed Structural Characterization of Sphingolipids via 193 nm Ultraviolet Photodissociation and Ultra High Resolution Tandem Mass Spectrometry

Adduct Formation in ESI/MS by Mobile Phase Additives

Influence of Ionization Source Conditions on the Gas-Phase Protomer Distribution of Anilinium and Related Cations

Optimization of a New Aerodynamic Cylindrical FAIMS Device for Small Molecule Analysis

Sputter-Coated Metal Screening for Small Molecule Analysis and High-Spatial Resolution Imaging in Laser Desorption Ionization Mass Spectrometry

Evaluation of restricted probabilistic cellular automata on the exploration of the potential energy surface of Be6B11

Flame Atmospheric Pressure Chemical Ionization Coupled with Negative Electrospray Ionization Mass Spectrometry for Ion Molecule Reactions

Similarity of High-Resolution Tandem Mass Spectrometry Spectra of Structurally Related Micropollutants and Transformation Products

Modern level for properties prediction of iodine-containing organic compounds: the halogen bonds formed by iodine

Modulation of Gas-Phase Lithium Cation Basicities by Microsolvation

Integration of High-Resolution Mass Spectrometry with Cryogenic Ion Vibrational Spectroscopy

Controlling the elastic modulus of cellulose nanofibril hydrogels—scaffolds with potential in tissue engineering

Identifying the D-Pentoses Using Water Adduction to Lithium Cationized Molecule

Charge Mediated Compaction and Rearrangement of Gas-Phase Proteins: A Case Study Considering Two Proteins at Opposing Ends of the Structure-Disorder Continuum

The anticancer agent 3-bromopyruvate: a simple but powerful molecule taken from the lab to the bedside

Uncovering Structural Diversity of Unsaturated Fatty Acyls in Cholesteryl Esters via Photochemical Reaction and Tandem Mass Spectrometry

Effective Ion Mobility Peak Width as a New Isomeric Descriptor for the Untargeted Analysis of Complex Mixtures Using Ion Mobility-Mass Spectrometry

Synthesis, characterization, anti-ulcer action and molecular docking evaluation of novel benzimidazole-pyrazole hybrids

Structure of polystyrene latex particles determined by electron microscopy

Radical Generation from the Gas-Phase Activation of Ionized Lipid Ozonides

A New Quantification Method Using Electrochemical Mass Spectrometry

Alternative trajectories of electron density to plot the atomic connectivity graph in the region of nondirectional interactions

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