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At WSU
An–Imidophosphorane (An = U–Pu) Bond Covalency and Proton-Coupled Electron Transfer Thermodynamics Driven by Orbital Energy Matching Chad M. Studvick, Sourav Dey, Kaitlyn S. Engle, Julie E. Niklas, Jonah W. Sprosty, Henry S. La Pierre, and Ivan A. PopovPhys. Chem. Chem. Phys. 2026 , 28 , 6687–6702.Front Outside Cover
Synthesis of Cp* Terphenylamido U(III) Iodide Complexes with a Substitutable Iodide Position to Generate Terminal U(III)–(κ3 -BH4 ) Complexes Vincent M. Groner, Iaroslav E. Gureev, Brennan S. Billow, Ivan A. Popov, and James M. BoncellaOrganometallics 2026 , 45 , 469−482. Featured in: Department of Chemistry News and Achievements
Ligand Design Criteria for the Stability of High Oxidation State Praseodymium Complexes Tyler-Rayne Nero, Chad M. Studvick, Andrew C. Boggiano, Maximilian G. Bernbeck, Ivan A. Popov, and Henry S. La PierreInorg. Chem. 2026 , 65 , 1991–2001.
Geometric and Electronic Structure Evolution of Gallium Hydrides: Group 13 Perspective Anton S. Pozdeev and Ivan A. PopovJ. Phys. Chem. A 2025 , 129 , 6391−6403.
Structural Evolution of Boron Clusters upon Copper Doping in CuBx − (x = 4−6) Anton S. Pozdeev, Hyun Wook Choi, Wei-Jia Chen, Lai-Sheng Wang, and Ivan A. PopovJ. Phys. Chem. A 2025 , 129 , 6024–6033.Invited article in the special issue “Michael A. Duncan Festschrift”
Praseodymium in the Formal +5 Oxidation State Andrew C. Boggiano, Chad M. Studvick, Sabyasachi Roy Chowdhury, Julie E. Niklas, Haruko Tateyama, Hongwei Wu, Johannes E. Leisen, Florian Kleemiss, Bess Vlaisavljevich, Ivan A. Popov, and Henry S. La PierreNat. Chem. 2025 , 17 , 1005–1010. Featured in: C&EN | WSU College of Arts and Sciences News | Scienmag | Nature Chemistry News & Views | Mirage News | Science News Today | Discovery Alert
Formation and Stability of Zr(IV), Hf(IV), Th(IV), and U(IV) Bis(amide) Dichloride Complexes Using Bulky Amide Ligands: Insights Into Metal-Arene Interactions and Hapticity Ian A. Haltom, Chad M. Studvick, Matthew P. Litwin, Ivan A. Popov, and James M. BoncellaPolyhedron 2025 , 276 , 117593.Invited article in a special issue: ‘The chemistry of the f-elements ’
Realization of an Elusive U(III)-Imido Complex Erik D. Reinhart, Chad M. Studvick, Brennan S. Billow, Aaron L. Odom, Ivan A. Popov, and James M. BoncellaChem. Eur. J. 2025 , 31 , e202403859.
Proton-Coupled Electron Transfer at the Pu5+/4+ Couple Kaitlyn S. Otte, Julie E. Niklas, Chad M. Studvick, Charlotte L. Montgomery, Alexandria R. C. Bredar, Ivan A. Popov, and Henry S. La PierreJ. Am. Chem. Soc . 2024 , 146 , 21859–21867.
At University of Akron
A Tetrahedral Neptunium(V) Complex Julie E. Niklas, Kaitlyn S. Otte, Chad M. Studvick, Sabyasachi Roy Chowdhury, Bess Vlaisavljevich, John Bacsa, Florian Kleemiss, Ivan A. Popov, and Henry S. La PierreNat. Chem. 2024 , 16 , 1490–1495. Featured in: ChemistryViews
Searching for Stable Copper Borozene Complexes in CuB7 – and CuB8 – Wei-Jia Chen, Anton S. Pozdeev, Hyun Wook Choi, Alexander I. Boldyrev, Dao-Fu Yuan, Ivan A. Popov, and Lai-Sheng WangPhys. Chem. Chem. Phys. 2024 , 26 , 12928–12938.Themed Collection: “Size effects in chemistry & physics of atomic & molecular clusters, nanoparticles & nanostructures” | 2024 Hot PCCP article | Front Outside Cover
The Structural and Electronic Split: Boron vs. Aluminum Hydrides Anton S. Pozdeev and Ivan A. PopovChem. Phys. Rev . 2024 , 5 , 011401 (Invitation by Prof. Xiaosong Li).Editor’s Choice as a Featured Article
Synthesis and Characterization of Uranium Complexes Supported by Substituted Aryldimethylsilylanilide Ligands Erik D. Reinhart, Chad M. Studvick, Aaron M. Tondreau, Ivan A. Popov, and James M. BoncellaOrganometallics 2024 , 43 , 284–298.Journal Cover
Impact of Pendent Ammonium Groups on Solubility and Cycling Charge Carrier Performance in Nonaqueous Redox Flow Batteries Kate A. Jesse, Sergio Diaz Abad, Chad M. Studvick, Gabriel A. Andrade, Sandip Maurya, Brian L. Scott, Rangachary Mukundan, Ivan A. Popov, and Benjamin L. DavisInorg. Chem . 2023 , 62 , 19218–19229.
Structural Distortion by Alkali Metal Cations Modulates the Redox and Electronic Properties of Ce3+ Imidophosphorane Complexes Andrew C. Boggiano, Chad M. Studvick, Alexander Steiner, John Bacsa, Ivan A. Popov, and Henry S. La PierreChem. Sci. 2023 , 14 , 11708–11717.2023 Chemical Science HOT Article Collection
Divergent Stabilities of Tetravalent Cerium, Uranium, and Neptunium Imidophosphorane Complexes Kaitlyn S. Otte, Julie E. Niklas, Chad M. Studvick, Andrew C. Boggiano, John Bacsa, Ivan A. Popov, and Henry S. La PierreAngew. Chem. Int. Ed. 2023 , 62 , e202306580.“Hot Paper”
Ligand Control of Oxidation and Crystallographic Disorder in the Isolation of Hexavalent Uranium Mono-Oxo Complexes Julie E. Niklas, Chad M. Studvick, John Bacsa, Ivan A. Popov, and Henry S. La PierreInorg. Chem. 2023 , 62 , 2304–2316.
Single-Metal-Encapsulated Double-Cage [Pt@Sn17 ]4− : An Exception from Group 14 Endohedral Clusters Hong-Lei Xu, Chad M. Studvick, Chao Liu, Yuan Xue, Ivan A. Popov, and Zhong-Ming SunChem. Eur. J. 2022 , 28 , e202202651.“VIP” | Inside Cover | Akron’s Digest
[Nb@Ge13/14 ]3− : New Family Members of Ge-based Intermetalloid Clusters Ya-Shan Huang, Yuan Xue, Alvaro Muñoz-Castro, Ivan A. Popov, and Zhong-Ming SunChem. Eur. J. 2022 , 28 , e202202192.
Zwitterionic Ferrocenes: An Approach for Redox Flow Battery (RFB) Catholytes Baosen Zhang, Briana R. Schrage, Ariana Frkonja-Kuczin, Sanjay Gaire, Ivan A. Popov, Christopher J. Ziegler, and Aliaksei BoikaInorg. Chem. 2022 , 61 , 8117–8120.
Synthesis, Solid-State, Solution, and Theoretical Characterization of an “In-Cage” Scandium-NOTA Complex Kelly E. Aldrich, Ivan A. Popov, Harrison D. Root, Enrique R. Batista, Samuel M. Greer, Stosh A. Kozimor, Laura M. Lilley, Maksim Y. Livshits, Veronika Mocko, Michael T. Janicke, Brian L. Scott, Benjamin W. Stein, and Ping YangDalton Trans . 2022 , 51 , 9994–10005.
Symmetry Collapse Due to the Presence of Multiple Local Aromaticity in Ge24 4− Hong-Lei Xu, Nikolay V. Tkachenko, Dariusz W. Szczepanik, Ivan A. Popov, Alvaro Muñoz-Castro, Alexander I. Boldyrev, and Zhong-Ming SunNat. Comm. 2022 , 13, 1–8.Editors’ Highlights of “Inorganic and physical chemistry”
Spectroscopic and Electrochemical Characterization of a Pr4+ Imidophosphorane Complex and the Redox Chemistry of Nd3+ and Dy3+ Complexes Natalie T. Rice, Ivan A. Popov, Rebecca K. Carlson, Samuel M. Greer, Andrew C. Boggiano, Benjamin W. Stein, John Bacsa, Enrique R. Batista, Ping Yang, and Henry S. La Pierre Dalton Trans . 2022 , 51 , 6696–6706.
At Los Alamos National Laboratory
An Allyl Uranium (IV) Sandwich Complex: Are ϕ Bonding Interactions Possible? Ivan A. Popov, Brennan S. Billow, Stephanie H. Carpenter, Enrique R. Batista, James M. Boncella, Aaron M. Tondreau, and Ping YangChem. Eur. J . 2022 , 28 , e202200114.“Hot Paper”
Ternary Aromatic and Anti-aromatic Clusters Derived from the Hypho Species [Sn2 Sb5 ]3− Yu-He Xu, Nikolay V Tkachenko, Ivan A. Popov, Lei Qiao, Alvaro Muñoz-Castro, Alexander I. Boldyrev, and Zhong-Ming SunNat. Comm. 2021 , 12 , 1–8.
Bridging Aromatic/Antiaromatic Units: Recent Advances in Aromaticity and Antiaromaticity in Main‐Group and Transition‐Metal Clusters from Bonding and Magnetic Analyses Nikolay V. Tkachenko, Ivan A. Popov, Maksim Kulichenko, Nikita Fedik, Zhong‐Ming Sun, Alvaro Muñoz‐Castro, and Alexander I. BoldyrevEur. J. Inorg. Chem . 2021 , 2021 , 4239–4250.
Complexation of Lanthanides and Heavy Actinides with Aqueous Sulfur Donating Ligands Nathan P. Bessen, Ivan A. Popov, Colt R. Heathman, Travis S. Grimes, Peter R. Zalupski, Liane M. Moreau, Kurt F. Smith, Corwin H. Booth, Rebecca J. Abergel, Enrique R. Batista, Ping Yang, and Jenifer C. ShaferInorg. Chem. 2021 , 60 , 6125–6134.Featured Article | Editor’s Choice
Iron-Iminopyridine Complexes as Charge Carriers for Non-Aqueous Redox Flow Battery Applications Shikha Sharma, Gabriel A. Andrade, Sandip Maurya, Ivan A. Popov, Enrique R. Batista, Benjamin L. Davis, Rangachary Mukundan, Nathan C. Smythe, Aaron M. Tondreau, Ping Yang, and John C. GordonEnergy Storage Mater . 2021 , 37 , 576–586.
A Comparative Review of Metal-Based Charge Carriers in Nonaqueous Flow Batteries Travis Charles Palmer, Andrew Beamer, Tristan Pitt, Ivan A. Popov, Claudina X. Cammack, Harry D. Pratt III, Travis M. Anderson, Enrique R. Batista, Ping Yang, and Benjamin L. DavisChemSusChem , 2021 , 14 , 1214–1228.“VIP” | Cover Profile
Expanding the Potential of Redox Carriers for Flow Battery Applications Gabriel A. Andrade, Ivan A. Popov, Celia R. Federico, Ping Yang, Enrique R. Batista, Rangachary Mukundan, and Benjamin L. Davis J. Mater. Chem. A 2020 , 8 , 17808–17816.
σ-Aromaticity-Induced Stabilization of Heterometallic Supertetrahedral Clusters [Zn6 Ge16 ]4– and [Cd6 Ge16 ]4– Hong-Lei Xu, Ivan A. Popov, Nikolay V. Tkachenko, Zi-Chuan Wang, Alvaro Muñoz-Castro, Alexander I. Boldyrev, and Zhong-Ming SunAngew. Chem. Int. Ed. 2020 , 59 , 17286–17290.“Hot Paper”
Comparison of Tetravalent Cerium and Terbium Ions in a Conserved, Homoleptic Imidophosphorane Ligand Field Natalie T. Rice, Ivan A. Popov, Dominic R. Russo, Thaige P. Gompa, Arun Ramanathan, John Bacsa, Enrique R. Batista, Ping Yang, and Henry S. La PierreChem. Sci. 2020 , 11 , 6149–6159.2020 Chemical Science HOT Article Collection
Boron‐Made N2 : Realization of a B≡B Triple Bond in the B2 Al3 − Cluster Nikita Fedik, Chaonan Mu, Ivan A. Popov, Wei Wang, Jie Wang, Haopeng Wang, Kit H. Bowen, Alexander I. Boldyrev, and Xinxing ZhangChem. Eur. J. 2020 , 26 , 8017–8021.
δ and φ Back-Donation in AnIV Metallacycles Morgan P. Kelley, Ivan A. Popov, Julie Jung, Enrique R. Batista, and Ping YangNat. Commun. 2020 , 11 , 1558. Featured in: Chemistry World | C&EN | News Stories | STE Highlights at LANL
Design, Isolation, and Spectroscopic Analysis of a Tetravalent Terbium Complex Natalie T. Rice, Ivan A. Popov, Dominic R. Russo, John Bacsa, Enrique R. Batista, Ping Yang, Joshua Telser, and Henry S. La PierreJ. Am. Chem. Soc. 2019 , 141 , 13222–13233.
Structure and Bonding in [Sb@In8 Sb12 ]3− and [Sb@In8 Sb12 ]5− Chao Liu, Nikolay V. Tkachenko, Ivan A. Popov, Nikita Fedik, Xue Min, Cong-Qiao Xu, Jun Li, John E. McGrady, Alexander I. Boldyrev, and Zhong-Ming SunAngew. Chem. Int. Ed. 2019 , 58 , 8367–8371.Inside Cover
Linked Picolinamide Nickel Complexes As Redox Carriers for Non-Aqueous Flow Batteries Terry Chu, Ivan A. Popov, Gabriel A. Andrade, Sandip Maurya, Ping Yang, Enrique R. Batista, Brian L. Scott, Rangachary Mukundan, and Benjamin L. DavisChemSusChem 2019 , 12 , 1304–1309.The Cover Feature
Catalyst-Inspired Charge Carriers for High Energy Density Redox Flow Batteries Ivan A. Popov, Benjamin L. Davis, Rangachary Mukundan, Enrique R. Batista, and Ping YangFront. Phys. 2019 , 6 , 1–10.
Impact of Ligand Substitutions on Multielectron Redox Properties of Fe Complexes Supported by Nitrogenous Chelates Ivan A. Popov, Nada Mehio, Terry Chu, Benjamin L. Davis, Rangachary Mukundan, Ping Yang, and Enrique R. BatistaACS Omega 2018 , 3 , 14766–14778.
Realization of an Al≡Al Triple Bond in the Gas-Phase Na3 Al2 − Cluster via Double Electronic Transmutation Xinxing Zhang, Ivan A. Popov, Katie A. Lundell, Haopeng Wang, Chaonan Mu, Wei Wang, Hansgeorg Schnöckel, Alexander I. Boldyrev, and Kit H. BowenAngew. Chem. Int. Ed. 2018 , 57 , 14060–14064. Featured in: C&EN | Science Briefs at LANL
Symmetry Reduction upon Size Mismatch: The Non-Icosahedral Intermetalloid Cluster [Co@Ge12 ]3− Chao Liu, Lei-Jiao Li, Ivan A. Popov, Robert J. Wilson, Cong-Qiao Xu, Jun Li, Alexander I. Boldyrev, and Zhong-Ming SunChin. J. Chem. 2018 , 36 , 1165–1168.
Aromaticity and Antiaromaticity in Zintl Clusters Chao Liu, Ivan A. Popov, Zhongfang Chen, Alexander I. Boldyrev, and Zhong-Ming SunChem. Eur. J. 2018 , 24 , 14583–14597.
At Utah State University
Multicenter Bonding Effects in Oxygen Vacancy in the Bulk and on the Surface of MgO Ivan A. Popov, Elisa Jimenez-Izal, Anastassia N. Alexandrova, and Alexander I. BoldyrevJ. Phys. Chem. C 2018 , 122 , 11933–11937.
[Co2 @Ge16 ]4- : Localized vs. Delocalized Bonding in Two Isomeric Intermetalloid Clusters Chao Liu, Ivan A. Popov, Lei-Jiao Li,Ning Li, Alexander I. Boldyrev, and Zhong-Ming SunChem. Eur. J. 2018 , 24 , 699–705.“Hot Paper”
Usefulness of the σ-Aromaticity and σ-Antiaromaticity Concepts for Clusters and Solid-State Compounds Ivan A. Popov, Alyona A. Starikova, Dmitry V. Steglenko, and Alexander I. BoldyrevChem. Eur. J. 2018 , 24 , 292–305.
Predicting the Structure and Chemistry of Low-Dimensional Materials Xiaohu Yu, Artem R. Oganov, Zhenhai Wang, Gabriele Saleh, Vinit Sharma, Qiang Zhu, Qinggao Wang, Xiang-Feng Zhou, Ivan A. Popov, Alexander I. Boldyrev, Vladimir S. Baturin, and Sergey V. Lepeshkin In Handbook of Solid State Chemistry . R. Dronskowski, S. Kikkawa, A. Stein (Eds). Wiley‐VCH Verlag GmbH & Co. KGaA, 2017 , pp. 527–570.
Long-Range Magnetic Response of Toroidal Boron Structures: B16 and [Co@B16 ]−/3− Species Alvaro Muñoz-Castro, Ivan A. Popov, and Alexander I. BoldyrevPhys. Chem. Chem. Phys. 2017 , 19 , 26145–26150.
A Stable Compound of Helium and Sodium at High Pressure Xiao Dong, Artem R. Oganov, Alexander F. Goncharov, Elissaios Stavrou, Sergey Lobanov, Gabriele Saleh, Guang-Rui Qian, Qiang Zhu, Carlo Gatti, Volker L. Deringer, Richard Dronskowski, Xiang-Feng Zhou, Vitali B. Prakapenka, Zuzana Konôpková, Ivan A. Popov, Alexander I. Boldyrev, and Hui-Tian WangNat. Chem. 2017 , 9 , 440–445. Featured in: C&EN | Utah State Today | Chemistry World | GIZMODO | Carnegie Science | International Business Times | IFLSCIENCE! | ScienceAlert | AZOMATERIALS | EurekAlert! | Space.com
Peculiar All-Metal σ-Aromaticity of [Au2 Sb16 ]4− Anion in the Solid State Ivan A. Popov, Fu-Xing Pan, Xue-Rui You, Lei-Jiao Li, Eduard Matito, Chao Liu, Hua-Jin Zhai, Zhong-Ming Sun, and Alexander I. BoldyrevAngew. Chem. Int. Ed. 2016 , 55 , 15344–15346.
Manganese-Centered Tubular Boron Cluster – MnB16 – : A New Class of Transition-Metal Molecules Tian Jian, Wan-Lu Li, Ivan A. Popov, Gary V. Lopez, Xin Chen, Alexander I. Boldyrev, Jun Li, and Lai-Sheng WangJ. Chem. Phys. 2016 , 144 , 154310.
All-Metal Antiaromaticity in Sb4 -Type Lanthanocene Anions Xue Min, Ivan A. Popov, Fu-Xing Pan, Lei-Jiao Li, Eduard Matito, Zhong-Ming Sun, Lai-Sheng Wang, and Alexander I. BoldyrevAngew. Chem. Int. Ed. 2016 , 55 , 5531–5535.
Two-Dimensional Magnetic Boron Xiang-Feng Zhou, Artem R. Oganov, Zhenhai Wang, Ivan A. Popov, Alexander I. Boldyrev, and Hui-Tian WangPhys. Rev. B 2016 , 93 , 085406.
d-AO Spherical Aromaticity in Ce6 O8 Xiaohu Yu, Artem R. Oganov, Ivan A. Popov, and Alexander I. BoldyrevJ. Comput. Chem. 2016 , 37 , 103–109.
Antiferromagnetic Stabilization in the Ti8 O12 Cluster Xiaohu Yu, Artem R. Oganov, Ivan A. Popov, Guangrui Qian, and Alexander I. BoldyrevAngew. Chem. Int. Ed. 2016 , 55 , 1699–1703.
Classical and Multicenter Bonding in Boron: Two Faces of Boron Ivan A. Popov and Alexander I. Boldyrev In Boron. D. Hnyk and M. L. McKee (Eds), Springer International Publishing Switzerland, 2015 , pp. 1–16.
Cobalt-Centred Boron Molecular Drums with the Highest Coordination Number in the CoB16 – Cluster Ivan A. Popov, Tian Jian, Gary V. Lopez, Alexander I. Boldyrev, and Lai-Sheng WangNat. Commun. 2015 , 6 , 8654. Featured in: C&EN | ChemViews Magazine | Utah State Today , N+1 Internet Edition | Molecules of the Year for 2015 by C&EN
Revealing Unusual Chemical Bonding in Planar Hyper-Coordinate Ni2 Ge and Quasi-Planar Ni2 Si Two-Dimensional Crystals Li-Ming Yang, Ivan A. Popov, Thomas Frauenheim, Alexander I. Boldyrev, Thomas Heine, Vladimir Bačić, and Eric GanzPhys. Chem. Chem. Phys. 2015 , 17 , 26043–26048.
Aluminum Chain in Li2 Al3 H8 – as Suggested by Photoelectron Spectroscopy and ab initio Calculations Ivan A. Popov, Xinxing Zhang, Bryan W. Eichhorn, Alexander I. Boldyrev, and Kit H. BowenPhys. Chem. Chem. Phys. 2015 , 17 , 26079–26083. Featured in: Atlas of Science
Post-anti-van’t Hoff-Le Bel Motif in Atomically Thin Germanium-Copper Alloy Film Li-Ming Yang, Ivan A. Popov, Alexander I. Boldyrev, Thomas Heine, Thomas Frauenheim, and Eric GanzPhys. Chem. Chem. Phys. 2015 , 17 , 17545–17551.
Homocatenation of Aluminum: Alkane-like Structures of Li2 Al2 H6 and Li3 Al3 H8 J. Tyler Gish, Ivan A. Popov, and Alexander I. BoldyrevChem. Eur. J. 2015 , 21 , 5307–5310.Front Cover | Cover Profile
Two-dimensional Cu2 Si Monolayer with Planar Hexacoordinate Copper and Silicon Bonding Li-Ming Yang, Vladimir Bačić, Ivan A. Popov, Alexander I. Boldyrev, Thomas Heine, Thomas Frauenheim, and Eric GanzJ. Am. Chem. Soc. 2015 , 137 , 2757–2762. Featured in: JACS SPOTLIGHTS
Assessing the Viability of Extended Nonmetal Atom Chains in Mn F4n+2 (M=S and Se) Ivan A. Popov, Boris B. Averkiev, Alyona A. Starikova, Alexander I. Boldyrev, Ruslan M. Minyaev, Vladimir I. MinkinAngew. Chem. Int. Ed. 2015 , 54 , 1476–1480. Featured in: Sciencing
Supertetrahedral B80 H20 , C80 H20 , and Al80 H20 Analogs of Dodecahedrane and their Substituted Molecules Ruslan M. Minyaev, Ivan A. Popov, Vitaly V. Koval, Alexander I. Boldyrev, and Vladimir I. MinkinStruct. Chem . 2015 , 26 , 223–229.
A Photoelectron Spectroscopy and Ab Initio Study of the Structures and Chemical Bonding of the B25 – Cluster Zachary A. Piazza, Ivan A. Popov, Wei-Li Li, Rhitankar Pal, Xiao Cheng Zeng, Alexander I. Boldyrev, and Lai-Sheng WangJ. Chem. Phys. 2014 , 141 , 034303.
The I=X (X = O,N,C) Double Bond in Hypervalent Iodine Compounds: Is it Real? Alexander S. Ivanov, Ivan A. Popov, Alexander I. Boldyrev, and Viktor V. ZhdankinAngew. Chem. Int. Ed. 2014 , 53 , 9617–9621. Featured in: Chemistry World
Chemical Bonding in Inorganic Aromatic Compounds Ivan A. Popov, and Alexander I. Boldyrev In The Chemical Bond: Chemical Bonding Across the Periodic Table. G. Frenking and S. Shaik (Eds), Wiley-VCH, Weinheim, 2014, pp. 421–444.
Understanding Boron through Size-Selected Clusters: Structure, Chemical Bonding, and Fluxionality Alina P. Sergeeva, Ivan A. Popov, Zachary A. Piazza, Wei-Li Li, Constantin Romanescu, Lai-Sheng Wang, and Alexander I. BoldyrevAcc. Chem. Res. 2014 , 47 , 1349–1358.
Complexes Between Planar Boron Clusters and Transition Metals: a Photoelectron Spectroscopy and ab initio Study of CoB12 – and RhB12 – Ivan A. Popov, Wei-Li Li, Zachary A. Piazza, Alexander I. Boldyrev, and Lai-Sheng WangJ. Phys. Chem. A 2014 , 118 , 8098–8105.
A Combined Photoelectron Spectroscopy and Ab Initio Study of the Quasi-Planar B24 – Cluster Ivan A. Popov, Zachary A. Piazza, Wei-Li Li, Lai-Sheng Wang, and Alexander I. BoldyrevJ. Chem. Phys. 2013 , 139 , 144307.
Structural Changes in the Series of Boron-Carbon Mixed Clusters Cx B10-x – (x = 3–10) Ivan A. Popov, Valery F. Popov, Konstantin V. Bozhenko, Ivan Černušák, and Alexander I. BoldyrevJ. Chem. Phys. 2013 , 139 , 114307.
“Benzation” of Graphene upon Addition of Monovalent Chemical Species Ivan A. Popov, Yafei Li, Zhongfang Chen, and Alexander I. BoldyrevPhys. Chem. Chem. Phys. 2013 , 15 , 6842–6848.
Computational Probing of All-Boron Li2n B2n H2n+2 Polyenes Ivan A.Popov and Alexander I.BoldyrevComp. Theor. Chem. 2013 , 1004 , 5–11.
Chemical Bonding in Coronene, Isocoronene, and Circumcoronene Ivan A. Popov and Alexander I. BoldyrevEur. J. Org. Chem. 2012 , 18 , 3485–3491.
Deciphering Chemical Bonding in BC3 Honeycomb Epitaxial Sheet Ivan A. Popov and Alexander I. BoldyrevJ. Phys. Chem. C 2012 , 116 , 3147–3152.
Is Graphene Aromatic? Ivan A. Popov, Konstantin V. Bozhenko, and Alexander I. BoldyrevNano Research 2012 , 5 , 117–123.