Research Excellence Award
Anna Pomogaeva
Saint Petersburg State University, Russia
Anna Pomogaeva is a Russian researcher in the field of inorganic and computational chemistry affiliated with Saint Petersburg State University. Her scientific work focuses on donor–acceptor interactions, electronic structure analysis, quantum chemical modeling, solvation theory, and the computational investigation of inorganic molecular systems. Her publication portfolio demonstrates sustained scholarly contributions to theoretical chemistry, quantum chemical methodologies, and the study of Lewis acid-base interactions.[1][2]
Pomogaeva has contributed to the development of computational methodologies involving oligomer-based band structure calculations and implicit solvation models. Her collaborative research activities include partnerships with scientists from Russia, Japan, the United States, and the Republic of Korea. The interdisciplinary scope of her work spans inorganic chemistry, molecular modeling, nanostructure theory, hydrogen activation studies, and electronic property prediction for advanced materials.[3][4]
Abstract
This academic recognition profile presents the scientific achievements and scholarly contributions of Anna Pomogaeva in the fields of inorganic chemistry and computational chemistry. Her research record includes studies on electronic structure theory, Lewis acid-base interactions, donor–acceptor complexes, solvation effects, molecular thermodynamics, and nanoscale electronic systems. Through the application of density functional theory, ab initio calculations, and quantum chemical modeling, her work has contributed to the understanding of inorganic molecular interactions and theoretical materials chemistry. The profile further evaluates her publication impact, interdisciplinary collaborations, and suitability for recognition through the International Analytical Chemistry Awards.[5]
Keywords
Inorganic Chemistry; Computational Chemistry; Quantum Chemistry; Lewis Acids; Donor–Acceptor Complexes; Electronic Structure; Solvation Theory; Density Functional Theory; Nanostructures; Hydrogen Activation; Molecular Modeling; Quantum Chemical Calculations; Materials Chemistry; Theoretical Chemistry; Oligomer Calculations.
Introduction
The advancement of computational approaches in chemistry has significantly influenced modern inorganic and materials research. Researchers working in this field increasingly rely on theoretical methodologies to predict structural, thermodynamic, and electronic properties of molecular systems. Within this scientific context, Anna Pomogaeva has established a research profile centered on computational investigations of inorganic compounds and quantum chemical analysis.[6]
Her academic training includes studies at Tomsk State University and subsequent doctoral work associated with Kyushu University in Japan. Over the course of her career, she has participated in international research collaborations involving Saint Petersburg State University, the University of Notre Dame, and research groups specializing in theoretical chemistry and molecular modeling. Her studies have addressed the structure and stability of donor–acceptor systems, halogen bonding, implicit solvation models, and electronic band structure calculations for nanoscale systems.[7][8]
Research Profile
Pomogaeva’s research activities encompass several interconnected areas of computational and inorganic chemistry. Her investigations have involved the theoretical characterization of molecular interactions, electronic properties of inorganic oligomers, solvent effects in chemical systems, and the development of methodologies for computational analysis of polymeric and nanoscale structures.[9]
A notable component of her work involves donor–acceptor complexes of main-group elements. These studies explore the thermodynamics, kinetics, bonding characteristics, and structural behavior of molecular systems with potential applications in hydrogen storage, metal-free catalysis, frustrated Lewis pair chemistry, and inorganic polymer design.[10]
Her publication history also demonstrates sustained contributions to the theoretical modeling of electronic band structures using oligomer calculations. This methodology has been applied to polymers, nanotubes, graphene nanoribbons, and systems with strong electron correlation effects. Such research has supported the understanding of nanoscale electronic behavior and theoretical materials design.[11][12]
Research Contributions
One of Pomogaeva’s recognized contributions concerns the development of computational approaches for constructing electronic band structures from oligomeric calculations. This methodology enabled the prediction of electronic properties in quasi-one-dimensional systems and nanoscale materials using finite molecular calculations. The approach was implemented within computational chemistry software frameworks and applied to polymeric and nanotube systems.[13]
Her collaborative work on implicit solvation models contributed to the development of the CMIRS methodology, designed to account for hydrogen bonding, dispersion interactions, and exchange effects in solvent environments. These contributions addressed important challenges in accurately modeling solvation effects within quantum chemical calculations.[14][15]
Additional research contributions include computational studies of halogen bonding, iodine-containing molecular complexes, frustrated Lewis pair systems, antimony complexes, and donor-stabilized oligomers. Her studies have investigated structural stability, bonding mechanisms, and solvent-dependent behavior in a variety of inorganic molecular systems relevant to modern inorganic chemistry research.[16][17]
Publications
Pomogaeva has authored and co-authored numerous peer-reviewed publications in journals specializing in inorganic chemistry, computational chemistry, theoretical chemistry, and materials science. Her articles have appeared in journals such as Journal of Computational Chemistry, Inorganic Chemistry, Journal of Physical Chemistry A, Dalton Transactions, Chemistry – A European Journal, and ACS Omega.[18]
Representative publications include studies on Lewis acid-assisted generation of iodenium ions, molecular complexes of iodine and interhalogens, hydrogen activation by frustrated Lewis pairs, donor–acceptor stabilized oligomers, and computational analyses of graphene nanoribbons and nanoscale electronic systems.[19]
| Year |
Selected Publication |
DOI |
| 2025 |
Lewis Acid-Assisted Generation of Iodenium(I) Ions: A Computational Approach |
10.1021/acs.inorgchem.5c04052 |
| 2024 |
Structures and Stability of I2 and ICl Complexes with Pyridine |
10.1002/jcc.27300 |
| 2022 |
Hydrogen Activation by Frustrated and Not So Frustrated Lewis Pairs Based on Pyramidal Lewis Acid 9-Boratriptycene |
10.1021/acsomega.2c06836 |
| 2021 |
Stability and Electronic Structure of Donor–Acceptor Stabilized Group 13/15 Oligomers |
10.1021/acs.jpca.1c02258 |
| 2014 |
Hydration Energy from a Composite Method for Implicit Representation of Solvent |
10.1021/ct400894j |
Research Impact
The research impact of Anna Pomogaeva is reflected through her citation metrics, publication consistency, and international collaborations. Her Scopus profile reports an h-index of 13 with more than 500 citations distributed across approximately 300 citing documents, indicating sustained scholarly engagement with her research contributions.[2]
Her publications have contributed to contemporary discussions in computational inorganic chemistry, particularly in areas involving electronic structure prediction, halogen bonding, molecular stability, and quantum chemical modeling. Several of her publications appear in Q1 and Q2 indexed journals, demonstrating recognition within peer-reviewed scientific literature.[2]
Pomogaeva has also received scientific recognition through conference awards and honors related to theoretical chemistry and band structure methodology. These distinctions include awards presented at international conferences in Korea, Greece, and the United States for contributions involving electronic structure calculations and hydrogen diffusion studies.
Award Suitability
The academic profile of Anna Pomogaeva demonstrates characteristics commonly associated with candidates for international research recognition in analytical and inorganic chemistry. Her sustained publication record, methodological contributions, interdisciplinary collaborations, and participation in internationally recognized research institutions support her suitability for scholarly distinction.[15]
Her contributions to computational methodologies, especially in the modeling of electronic structures and solvent interactions, align with contemporary priorities in theoretical and analytical chemistry. The international visibility of her publications and collaborative work further strengthen the relevance of her profile within the context of scientific award evaluation.[17]
Conclusion
Anna Pomogaeva has established a significant academic presence in computational and inorganic chemistry through contributions involving molecular modeling, electronic structure analysis, donor–acceptor systems, and theoretical materials research. Her publication record, citation metrics, methodological developments, and international collaborations collectively demonstrate a sustained commitment to scientific advancement.[18]
The breadth of her work across quantum chemistry, inorganic molecular systems, and nanoscale electronic modeling reflects the interdisciplinary nature of modern theoretical chemistry. Her profile presents a strong basis for recognition within the International Analytical Chemistry Awards and related academic distinction programs.[19]
External Links
References
- Saint Petersburg State University. (2025). Research and academic affiliation details for Anna Pomogaeva.
- Elsevier. (n.d.). Scopus author details: Anna Pomogaeva, Author ID 23668779800. Scopus.
https://www.scopus.com/authid/detail.uri?authorId=23668779800
- Pomogaeva, A.; Chipman, D. M. (2014). Hydration Energy from a Composite Method for Implicit Representation of Solvent. Journal of Chemical Theory and Computation.https://doi.org/10.1021/ct400894j
- Filatov, M.; Pomogaeva, A.; Min, S. K. (2025). Implications of the Edge States for the Band Structure of Armchair Graphene Nanoribbons. Carbon Letters.
https://doi.org/10.1007/s42823-024-00824-z
- Pomogaeva, A. V.; Timoshkin, A. Y. (2021). Stability and Electronic Structure of Donor–Acceptor Stabilized Group 13/15 Oligomers. Journal of Physical Chemistry A.
https://doi.org/10.1021/acs.jpca.1c02258
- Pomogaeva, A.; Gu, F. L.; Kirtman, B.; Aoki, Y. (2007). Band Structure of Polymer Extracted from Oligomer Calculations. AIP Conference Proceedings.
https://doi.org/10.1063/1.2835959
- Pomogaeva, A.; Springborg, M.; Kirtman, B.; Gu, F. L.; Aoki, Y. (2009). Band Structures Built by the Elongation Method. Journal of Chemical Physics.
https://doi.org/10.1063/1.3131262
- Pomogaeva, A.; Chipman, D. M. (2013). New Implicit Solvation Models for Dispersion and Exchange Energies. Journal of Physical Chemistry A.
https://doi.org/10.1021/jp404624x
- Pomogaeva, A. V.; Timoshkin, A. Y. (2022). Hydrogen Activation by Frustrated and Not So Frustrated Lewis Pairs Based on Pyramidal Lewis Acid 9-Boratriptycene. ACS Omega.
https://doi.org/10.1021/acsomega.2c06836
- Pomogaeva, A. V.; Lisovenko, A. S.; Timoshkin, A. Y. (2023). Lewis Acid Stabilized Group 13–15 Element Analogs of Ethylene. Journal of Computational Chemistry.
https://doi.org/10.1002/jcc.26867
- Kirtman, B.; Gu, F. L.; Aoki, Y. (2008). Band Structure Built from Oligomer Calculations. Journal of Chemical Physics.
https://doi.org/10.1063/1.2840354
- Pomogaeva, A.; Filatov, M.; Choi, C. H. (2022). Manifestations of Strong Electron Correlation in Polyacene. Carbon Trends.
https://doi.org/10.1016/j.cartre.2022.100146
- Pomogaeva, A.; Springborg, M.; Kirtman, B.; Gu, F. L.; Aoki, Y. (2012). Band Structure of Polymer Extracted from Oligomer Calculations by Elongation Method. AIP Conference Proceedings.
https://doi.org/10.1063/1.4771759
- Pomogaeva, A.; Thompson, D. W.; Chipman, D. M. (2011). Modeling Short-Range Contributions to Hydration Energies with Minimal Parameterization. Chemical Physics Letters.
https://doi.org/10.1016/j.cplett.2011.05.063
- Pomogaeva, A.; Chipman, D. M. (2011). Field-Extremum Model for Short-Range Contributions to Hydration Free Energy. Journal of Chemical Theory and Computation.
https://doi.org/10.1021/ct200575c
- Pomogaeva, A. V.; Lisovenko, A. S.; Timoshkin, A. Y. (2024). Structures and Stability of I2 and ICl Complexes with Pyridine. Journal of Computational Chemistry.
https://doi.org/10.1002/jcc.27300
- Davydova, E. I.; Pomogaeva, A. V.; Timoshkin, A. Y. (2025). Molecular Complexes of Iodine with Pyrazine and 4,4’-Bipyridine. Inorganica Chimica Acta.
https://doi.org/10.1016/j.ica.2025.122564
- Pomogaeva, A. V.; Kulikova, Y. I.; Timoshkin, A. Y. (2025). Lewis Acid-Assisted Generation of Iodenium(I) Ions: A Computational Approach. Inorganic Chemistry.
https://doi.org/10.1021/acs.inorgchem.5c04052
- International Analytical Chemistry Awards. (2026). Evaluation criteria for research excellence recognition.
https://analyticalchemistry.org/
- ORCID. (2026). Research profile and publication metadata for Anna Pomogaeva.
https://orcid.org/0000-0002-5131-4240
- Pomogaeva, A. V.; Timoshkin, A. Y. (2020). Group 13–15 Needle-Shaped Oligomers and Nanorods: Structures and Electronic Properties. Springer.
https://doi.org/10.1007/978-981-15-0006-0_6