Alexander I. Boldyrev - Publications

Affiliations: 
Utah State University, Logan, UT, United States 
Area:
theoretical physical chemistry
Website:
http://ion.chem.usu.edu/~boldyrev/

193 high-probability publications. We are testing a new system for linking publications to authors. You can help! If you notice any inaccuracies, please sign in and mark papers as correct or incorrect matches. If you identify any major omissions or other inaccuracies in the publication list, please let us know.

Year Citation  Score
2019 Jian T, Chen X, Li SD, Boldyrev AI, Li J, Wang LS. Probing the structures and bonding of size-selected boron and doped-boron clusters. Chemical Society Reviews. PMID 31120469 DOI: 10.1039/c9cs00233b  0.68
2019 Czekner J, Cheung LF, Kocheril GS, Kulichenko M, Boldyrev AI, Wang LS. High-Resolution Photoelectron Imaging of IrB3‾: Observation of a π-Aromatic B3+ Ring Coordinated to a Transition Metal. Angewandte Chemie (International Ed. in English). PMID 31021049 DOI: 10.1002/anie.201902406  0.68
2019 Liu C, Tkachenko NV, Popov IA, Fedik N, Min X, Xu CQ, Li J, McGrady JE, Boldyrev AI, Sun ZM. Structure and Bonding in [Sb@In8Sb12]3- and [Sb@In8Sb12]5. Angewandte Chemie (International Ed. in English). PMID 31013397 DOI: 10.1002/anie.201904109  0.4
2019 Kulichenko M, Fedik NS, Bozhenko KV, Boldyrev AI. Hydrated Sulfate Clusters SO(HO)(n=1-40): Charge Distribution Through Solvation Shells and Stabilization. The Journal of Physical Chemistry. B. PMID 30994350 DOI: 10.1021/acs.jpcb.9b01744  0.4
2019 Kulichenko M, Fedik N, Bozhenko KV, Boldyrev AI. New Inorganic Molecular Electride Mg₄O₃: Structure, Bonding and Nonlinear Optical Properties. Chemistry (Weinheim An Der Bergstrasse, Germany). PMID 30710494 DOI: 10.1002/chem.201806372  0.4
2016 Popov IA, Pan FX, You XR, Li LJ, Matito E, Liu C, Zhai HJ, Sun ZM, Boldyrev AI. Peculiar All-Metal σ-Aromaticity of the [Au2 Sb16 ](4-) Anion in the Solid State. Angewandte Chemie (International Ed. in English). PMID 27862764 DOI: 10.1002/anie.201609497  0.68
2016 Jian T, Li WL, Popov IA, Lopez GV, Chen X, Boldyrev AI, Li J, Wang LS. Manganese-centered tubular boron cluster - MnB16 (-): A new class of transition-metal molecules. The Journal of Chemical Physics. 144: 154310. PMID 27389223 DOI: 10.1063/1.4946796  0.68
2016 Min X, Popov IA, Pan FX, Li LJ, Matito E, Sun ZM, Wang LS, Boldyrev AI. All-Metal Antiaromaticity in Sb4 -Type Lanthanocene Anions. Angewandte Chemie (International Ed. in English). PMID 27062366 DOI: 10.1002/anie.201600706  1
2016 Boldyrev AI, Wang LS. Beyond organic chemistry: aromaticity in atomic clusters. Physical Chemistry Chemical Physics : Pccp. PMID 26864511 DOI: 10.1039/c5cp07465g  0.68
2016 Ivanov AS, Kar T, Boldyrev AI. Nanoscale stabilization of zintl compounds: 1D ionic Li-P double helix confined inside a carbon nanotube. Nanoscale. PMID 26796784 DOI: 10.1039/c5nr07713c  1
2016 Zhou XF, Oganov AR, Wang Z, Popov IA, Boldyrev AI, Wang HT. Two-dimensional magnetic boron Physical Review B - Condensed Matter and Materials Physics. 93. DOI: 10.1103/PhysRevB.93.085406  1
2015 Yu X, Oganov AR, Popov IA, Qian G, Boldyrev AI. Antiferromagnetic Stabilization in the Ti8 O12 Cluster. Angewandte Chemie (International Ed. in English). PMID 26668109 DOI: 10.1002/anie.201508439  1
2015 Ivanov AS, Zhang X, Wang H, Boldyrev AI, Gantefoer GF, Bowen KH, Cernusak I. Anion Photoelectron Spectroscopy and CASSCF/CASPT2/RASSI Study of Lan(-) (n=1, 3-7). The Journal of Physical Chemistry. A. PMID 26503562 DOI: 10.1021/acs.jpca.5b08076  1
2015 Popov IA, Jian T, Lopez GV, Boldyrev AI, Wang LS. Cobalt-centred boron molecular drums with the highest coordination number in the CoB16(-) cluster. Nature Communications. 6: 8654. PMID 26456760 DOI: 10.1038/ncomms9654  1
2015 Yang LM, Popov IA, Frauenheim T, Boldyrev AI, Heine T, Bačić V, Ganz E. Revealing unusual chemical bonding in planar hyper-coordinate Ni2Ge and quasi-planar Ni2Si two-dimensional crystals. Physical Chemistry Chemical Physics : Pccp. 17: 26043-8. PMID 26377165 DOI: 10.1039/c5cp04893a  1
2015 Popov IA, Zhang X, Eichhorn BW, Boldyrev AI, Bowen KH. Aluminum chain in Li2Al3H8(-) as suggested by photoelectron spectroscopy and ab initio calculations. Physical Chemistry Chemical Physics : Pccp. 17: 26079-83. PMID 26358650 DOI: 10.1039/c5cp04148a  1
2015 Dolyniuk JA, He H, Ivanov AS, Boldyrev AI, Bobev S, Kovnir K. Ba and Sr Binary Phosphides: Synthesis, Crystal Structures, and Bonding Analysis. Inorganic Chemistry. 54: 8608-16. PMID 26270202 DOI: 10.1021/acs.inorgchem.5b01253  1
2015 Yang LM, Popov IA, Boldyrev AI, Heine T, Frauenheim T, Ganz E. Post-anti-van't Hoff-Le Bel motif in atomically thin germanium-copper alloy film. Physical Chemistry Chemical Physics : Pccp. PMID 26074127 DOI: 10.1039/c5cp02827b  1
2015 Mercero JM, Boldyrev AI, Merino G, Ugalde JM. Recent developments and future prospects of all-metal aromatic compounds. Chemical Society Reviews. 44: 6519-34. PMID 26058731 DOI: 10.1039/c5cs00341e  1
2015 Gish JT, Popov IA, Boldyrev AI. Homocatenation of aluminum: alkane-like structures of Li2Al2 H6 and Li3Al3H8. Chemistry (Weinheim An Der Bergstrasse, Germany). 21: 5261. PMID 25736330 DOI: 10.1002/chem.201500664  1
2015 Yang LM, Ba?i? V, Popov IA, Boldyrev AI, Heine T, Frauenheim T, Ganz E. Two-dimensional Cu2Si monolayer with planar hexacoordinate copper and silicon bonding. Journal of the American Chemical Society. 137: 2757-62. PMID 25643071 DOI: 10.1021/ja513209c  1
2015 Popov IA, Averkiev BB, Starikova AA, Boldyrev AI, Minyaev RM, Minkin VI. Assessing the viability of extended nonmetal atom chains in M(n)F(4n+2) (M=S and Se). Angewandte Chemie (International Ed. in English). 54: 1476-80. PMID 25475055 DOI: 10.1002/anie.201409418  1
2015 Ivanov AS, Miller E, Boldyrev AI, Kameoka Y, Sato T, Tanaka K. Pseudo jahn-teller origin of buckling distortions in two-dimensional triazine-based graphitic carbon nitride (g-C3N4) sheets Journal of Physical Chemistry C. 119: 12008-12015. DOI: 10.1021/acs.jpcc.5b02299  1
2015 Minyaev RM, Popov IA, Koval VV, Boldyrev AI, Minkin VI. Supertetrahedral B80H20, C80H20, and Al80H20 analogs of dodecahedrane and their substituted molecules Structural Chemistry. 26: 223-229. DOI: 10.1007/s11224-014-0540-1  1
2015 Nizovtsev AS, Ivanov AS, Boldyrev AI, Konchenko SN. Li4E8 (E = P, As, Sb, Bi) clusters: The quest for realgar-type [E8]4- zintl anions European Journal of Inorganic Chemistry. 2015: 5801-5807. DOI: 10.1002/ejic.201500931  1
2015 Gish JT, Popov IA, Boldyrev AI. Homocatenation of aluminum: Alkane-like structures of li2al2h6 and li3al3h8 Chemistry - a European Journal. 21: 5307-5310. DOI: 10.1002/chem.201500298  1
2014 Piazza ZA, Popov IA, Li WL, Pal R, Zeng XC, Boldyrev AI, Wang LS. A photoelectron spectroscopy and ab initio study of the structures and chemical bonding of the B25(-) cluster. The Journal of Chemical Physics. 141: 034303. PMID 25053316 DOI: 10.1063/1.4879551  1
2014 Ivanov AS, Popov IA, Boldyrev AI, Zhdankin VV. The I=X (X=O,N,C) double bond in hypervalent iodine compounds: is it real? Angewandte Chemie (International Ed. in English). 53: 9617-21. PMID 25045143 DOI: 10.1002/anie.201405142  0.4
2014 Ivanov AS, Boldyrev AI. Deciphering aromaticity in porphyrinoids via adaptive natural density partitioning Organic and Biomolecular Chemistry. 12: 6145-6150. PMID 25002069 DOI: 10.1039/c4ob01018c  1
2014 Olson JK, Ivanov AS, Boldyrev AI. All-nitrogen analogue of ozone: Li₃N₃ species. Chemistry (Weinheim An Der Bergstrasse, Germany). 20: 6636-40. PMID 24753295 DOI: 10.1002/chem.201402572  1
2014 Sergeeva AP, Popov IA, Piazza ZA, Li WL, Romanescu C, Wang LS, Boldyrev AI. Understanding boron through size-selected clusters: Structure, chemical bonding, and fluxionality Accounts of Chemical Research. 47: 1349-1358. PMID 24661097 DOI: 10.1021/ar400310g  1
2014 Ivanov AS, Boldyrev AI, Frenking G. Inorganic double-helix nanotoroid of simple lithium-phosphorus species. Chemistry (Weinheim An Der Bergstrasse, Germany). 20: 2431-5. PMID 24488764 DOI: 10.1002/chem.201304566  0.4
2014 Ivanov AS, Frenking G, Boldyrev AI. Stabilization of a Cl(-)-Cl(-) anion pair in the gas phase: ab initio microsolvation study. The Journal of Physical Chemistry. A. 118: 7375-84. PMID 24471443 DOI: 10.1021/jp4123997  0.4
2014 Popov IA, Li WL, Piazza ZA, Boldyrev AI, Wang LS. Complexes between planar boron clusters and transition metals: a photoelectron spectroscopy and ab initio study of CoB12(-) and RhB12(-). The Journal of Physical Chemistry. A. 118: 8098-105. PMID 24428747 DOI: 10.1021/jp411867q  0.68
2014 Ivanov AS, Frenking G, Boldyrev AI. Stabilization of a Cl--Cl- anion pair in the gas phase: Ab initio microsolvation study Journal of Physical Chemistry A. 118: 7375-7384. DOI: 10.1021/jp4123997  1
2014 Popov IA, Li WL, Piazza ZA, Boldyrev AI, Wang LS. Complexes between planar boron clusters and transition metals: A photoelectron spectroscopy and Ab initio study of CoB12 - And RhB12 - Journal of Physical Chemistry A. 118: 8098-8105. DOI: 10.1021/jp411867q  1
2014 Ivanov AS, Boldyrev AI, Frenking G. Inorganic double-helix nanotoroid of simple lithium-phosphorus species Chemistry - a European Journal. 20: 2431-2435. DOI: 10.1002/chem.201304566  1
2014 Ivanov AS, Popov IA, Boldyrev AI, Zhdankin VV. The I=X (X=O,N,C) double bond in hypervalent iodine compounds: Is it real? Angewandte Chemie - International Edition. 53: 9617-9621. DOI: 10.1002/anie.201405142  1
2014 Popov IA, Boldyrev AI. Chemical Bonding in Inorganic Aromatic Compounds The Chemical Bond: Chemical Bonding Across the Periodic Table. 421-444. DOI: 10.1002/9783527664658.ch14  1
2013 Popov IA, Piazza ZA, Li WL, Wang LS, Boldyrev AI. A combined photoelectron spectroscopy and ab initio study of the quasi-planar B24(-) cluster. The Journal of Chemical Physics. 139: 144307. PMID 24116619 DOI: 10.1063/1.4824156  0.68
2013 Popov IA, Popov VF, Bozhenko KV, Černušák I, Boldyrev AI. Structural changes in the series of boron-carbon mixed clusters C(x)B(10-x)- (x = 3-10) upon substitution of boron by carbon. The Journal of Chemical Physics. 139: 114307. PMID 24070290 DOI: 10.1063/1.4820878  0.4
2013 Li WL, Ivanov AS, Federič J, Romanescu C, Černušák I, Boldyrev AI, Wang LS. On the way to the highest coordination number in the planar metal-centred aromatic Ta©B10- cluster: evolution of the structures of TaB(n)- (n = 3-8). The Journal of Chemical Physics. 139: 104312. PMID 24050349 DOI: 10.1063/1.4820401  0.68
2013 Romanescu C, Galeev TR, Li WL, Boldyrev AI, Wang LS. Geometric and electronic factors in the rational design of transition-metal-centered boron molecular wheels. The Journal of Chemical Physics. 138: 134315. PMID 23574235 DOI: 10.1063/1.4798935  1
2013 Galeev TR, Dunnington BD, Schmidt JR, Boldyrev AI. Solid state adaptive natural density partitioning: a tool for deciphering multi-center bonding in periodic systems. Physical Chemistry Chemical Physics : Pccp. 15: 5022-9. PMID 23443061 DOI: 10.1039/c3cp50350j  1
2013 Olson JK, Boldyrev AI. Planar to 3D transition in the B6H(y) anions. The Journal of Physical Chemistry. A. 117: 1614-20. PMID 23331020 DOI: 10.1021/jp310162v  1
2013 Romanescu C, Galeev TR, Li WL, Boldyrev AI, Wang LS. Transition-metal-centered monocyclic boron wheel clusters (M©Bn): a new class of aromatic borometallic compounds. Accounts of Chemical Research. 46: 350-8. PMID 23210660 DOI: 10.1021/ar300149a  1
2013 Popov IA, Piazza ZA, Li WL, Wang LS, Boldyrev AI. A combined photoelectron spectroscopy and ab initio study of the quasi-planar B24 - cluster Journal of Chemical Physics. 139. DOI: 10.1063/1.4824156  1
2013 Popov IA, Popov VF, Bozhenko KV, ?ernušák I, Boldyrev AI. Structural changes in the series of boron-carbon mixed clusters C xB10-x-(x = 3-10) upon substitution of boron by carbon Journal of Chemical Physics. 139. DOI: 10.1063/1.4820878  1
2013 Li WL, Ivanov AS, Federi? J, Romanescu C, ?ernušák I, Boldyrev AI, Wang LS. On the way to the highest coordination number in the planar metal-centred aromatic Ta©B10 - cluster: Evolution of the structures of TaBn - (n = 3-8) Journal of Chemical Physics. 139. DOI: 10.1063/1.4820401  1
2013 Romanescu C, Galeev TR, Li WL, Boldyrev AI, Wang LS. Geometric and electronic factors in the rational design of transition-metal-centered boron molecular wheels Journal of Chemical Physics. 138. DOI: 10.1063/1.4798935  1
2013 Popov IA, Li Y, Chen Z, Boldyrev AI. "Benzation" of graphene upon addition of monovalent chemical species Physical Chemistry Chemical Physics. 15: 6842-6848. DOI: 10.1039/c3cp43921f  1
2013 Romanescu C, Galeev TR, Li WL, Boldyrev AI, Wang LS. Transition-metal-centered monocyclic boron wheel clusters (M©B n): A new class of aromatic borometallic compounds Accounts of Chemical Research. 46: 350-358. DOI: 10.1021/ar300149a  1
2013 Popov IA, Boldyrev AI. Computational probing of all-boron Li2nB2nH2n+2 polyenes Computational and Theoretical Chemistry. 1004: 5-11. DOI: 10.1016/j.comptc.2012.10.018  1
2013 Galeev TR, Boldyrev AI. Aromaticity and Antiaromaticity in Inorganic Chemistry Comprehensive Inorganic Chemistry Ii (Second Edition): From Elements to Applications. 9: 245-275. DOI: 10.1016/B978-0-08-097774-4.00909-8  1
2012 Ivanov AS, Bozhenko KV, Boldyrev AI. Peculiar Transformations in the CxHxP4-x (x = 0-4) Series. Journal of Chemical Theory and Computation. 8: 135-40. PMID 26592876 DOI: 10.1021/ct200727z  0.4
2012 Galeev TR, Li WL, Romanescu C, Cernusák I, Wang LS, Boldyrev AI. Photoelectron spectroscopy and ab initio study of boron-carbon mixed clusters: CB9- and C2B8-. The Journal of Chemical Physics. 137: 234306. PMID 23267485 DOI: 10.1063/1.4770231  1
2012 Ivanov AS, Boldyrev AI. Reliable predictions of unusual molecules. Physical Chemistry Chemical Physics : Pccp. 14: 15943-52. PMID 23103915 DOI: 10.1039/c2cp42877f  0.4
2012 Sergeeva AP, Piazza ZA, Romanescu C, Li WL, Boldyrev AI, Wang LS. B 22 - and B 23 -: All-boron analogues of anthracene and phenanthrene Journal of the American Chemical Society. 134: 18065-18073. PMID 23030415 DOI: 10.1021/ja307605t  1
2012 Ivanov AS, Boldyrev AI. Si6-nCnH6 (n = 0-6) series: When do silabenzenes become planar and global minima? Journal of Physical Chemistry A. 116: 9591-9598. PMID 22946702 DOI: 10.1021/jp307722q  1
2012 Ivanov AS, Bozhenko KV, Boldyrev AI. On the suppression mechanism of the pseudo-Jahn-Teller effect in middle E6 (E = P, As, Sb) rings of triple-decker sandwich complexes. Inorganic Chemistry. 51: 8868-72. PMID 22845625 DOI: 10.1021/ic300786w  0.4
2012 Ivanov AS, Morris AJ, Bozhenko KV, Pickard CJ, Boldyrev AI. Inorganic double-helix structures of unusually simple lithium-phosphorus species. Angewandte Chemie (International Ed. in English). 51: 8330-3. PMID 22821747 DOI: 10.1002/anie.201201843  0.4
2012 Osorio E, Olson JK, Tiznado W, Boldyrev AI. Analysis of why boron avoids sp2  hybridization and classical structures in the BnHn+2 series. Chemistry (Weinheim An Der Bergstrasse, Germany). 18: 9677-81. PMID 22745112 DOI: 10.1002/chem.201200506  0.96
2012 Piazza ZA, Li WL, Romanescu C, Sergeeva AP, Wang LS, Boldyrev AI. A photoelectron spectroscopy and ab initio study of B21-: negatively charged boron clusters continue to be planar at 21. The Journal of Chemical Physics. 136: 104310. PMID 22423841 DOI: 10.1063/1.3692967  1
2012 Galeev TR, Romanescu C, Li WL, Wang LS, Boldyrev AI. Observation of the highest coordination number in planar species: decacoordinated Ta©B10(-) and Nb©B10(-) anions. Angewandte Chemie (International Ed. in English). 51: 2101-5. PMID 22298320 DOI: 10.1002/anie.201107880  1
2012 Li WL, Romanescu C, Galeev TR, Piazza ZA, Boldyrev AI, Wang LS. Transition-metal-centered nine-membered boron rings: MⓒB9 and MⓒB9(-) (M = Rh, Ir). Journal of the American Chemical Society. 134: 165-8. PMID 22148745 DOI: 10.1021/ja209808k  1
2012 Galeev TR, Li WL, Romanescu C, ?ernušák I, Wang LS, Boldyrev AI. Photoelectron spectroscopy and ab initio study of boron-carbon mixed clusters: CB9 - and C2B8 - Journal of Chemical Physics. 137. DOI: 10.1063/1.4770231  1
2012 Piazza ZA, Li WL, Romanescu C, Sergeeva AP, Wang LS, Boldyrev AI. A photoelectron spectroscopy and ab initio study of B 21 -: Negatively charged boron clusters continue to be planar at 21 Journal of Chemical Physics. 136. DOI: 10.1063/1.3692967  1
2012 Ivanov AS, Boldyrev AI. Reliable predictions of unusual molecules Physical Chemistry Chemical Physics. 14: 15943-15952. DOI: 10.1039/c2cp42877f  1
2012 Popov IA, Boldyrev AI. Deciphering chemical bonding in a BC 3 honeycomb epitaxial sheet Journal of Physical Chemistry C. 116: 3147-3152. DOI: 10.1021/jp210956w  1
2012 Li WL, Romanescu C, Galeev TR, Piazza ZA, Boldyrev AI, Wang LS. Transition-metal-centered nine-membered boron rings: M©B 9 and M©B 9 - (M = Rh, Ir) Journal of the American Chemical Society. 134: 165-168. DOI: 10.1021/ja209808k  1
2012 Ivanov AS, Bozhenko KV, Boldyrev AI. On the suppression mechanism of the Pseudo-Jahn-Teller effect in middle E 6 (E = P, As, Sb) rings of triple-decker sandwich complexes Inorganic Chemistry. 51: 8868-8872. DOI: 10.1021/ic300786w  1
2012 Ivanov AS, Bozhenko KV, Boldyrev AI. Peculiar transformations in the C xH xP 4-x (x = 0-4) series Journal of Chemical Theory and Computation. 8: 135-140. DOI: 10.1021/ct200727z  1
2012 Romanescu C, Galeev TR, Sergeeva AP, Li WL, Wang LS, Boldyrev AI. Experimental and computational evidence of octa- and nona-coordinated planar iron-doped boron clusters: Fe©B8 - and Fe©B9 - Journal of Organometallic Chemistry. 721: 148-154. DOI: 10.1016/j.jorganchem.2012.07.050  1
2012 Olson JK, Boldyrev AI. Electronic transmutation: Boron acquiring an extra electron becomes 'carbon' Chemical Physics Letters. 523: 83-86. DOI: 10.1016/j.cplett.2011.11.079  1
2012 Popov IA, Bozhenko KV, Boldyrev AI. Is graphene aromatic? Nano Research. 5: 117-123. DOI: 10.1007/s12274-011-0192-z  1
2012 Popov IA, Boldyrev AI. Chemical bonding in coronene, isocoronene, and circumcoronene European Journal of Organic Chemistry. 3485-3491. DOI: 10.1002/ejoc.201200256  1
2012 Osorio E, Olson JK, Tiznado W, Boldyrev AI. Analysis of why boron avoids sp 2 hybridization and classical structures in the B nH n+2 series Chemistry - a European Journal. 18: 9677-9681. DOI: 10.1002/chem.201200506  1
2012 Ivanov AS, Morris AJ, Bozhenko KV, Pickard CJ, Boldyrev AI. Inorganic double-helix structures of unusually simple lithium-phosphorus species Angewandte Chemie - International Edition. 51: 8330-8333. DOI: 10.1002/anie.201201843  1
2012 Galeev TR, Romanescu C, Li WL, Wang LS, Boldyrev AI. Observation of the highest coordination number in planar species: Decacoordinated Ta©B 10 - and Nb©B 10 - anions Angewandte Chemie - International Edition. 51: 2101-2105. DOI: 10.1002/anie.201107880  1
2011 Galeev TR, Romanescu C, Li WL, Wang LS, Boldyrev AI. Valence isoelectronic substitution in the B8(-) and B9(-) molecular wheels by an Al dopant atom: umbrella-like structures of AlB7(-) and AlB8(-). The Journal of Chemical Physics. 135: 104301. PMID 21932887 DOI: 10.1063/1.3625959  1
2011 Romanescu C, Galeev TR, Li WL, Boldyrev AI, Wang LS. Aromatic metal-centered monocyclic boron rings: Co©B8- and Ru©B9-. Angewandte Chemie (International Ed. in English). 50: 9334-7. PMID 21882323 DOI: 10.1002/anie.201104166  1
2011 Galeev TR, Boldyrev AI. Planarity takes over in the C(x)H(x)P(6-x) (x = 0-6) series at x = 4. Physical Chemistry Chemical Physics : Pccp. 13: 20549-56. PMID 21869975 DOI: 10.1039/c1cp21959f  1
2011 Li WL, Romanescu C, Galeev TR, Wang LS, Boldyrev AI. Aluminum avoids the central position in AlB9- and AlB10-: photoelectron spectroscopy and ab initio study. The Journal of Physical Chemistry. A. 115: 10391-7. PMID 21800920 DOI: 10.1021/jp205873g  1
2011 Sergeeva AP, Averkiev BB, Zhai HJ, Boldyrev AI, Wang LS. All-boron analogues of aromatic hydrocarbons: B17- and B18-. The Journal of Chemical Physics. 134: 224304. PMID 21682511 DOI: 10.1063/1.3599452  1
2011 Galeev TR, Chen Q, Guo JC, Bai H, Miao CQ, Lu HG, Sergeeva AP, Li SD, Boldyrev AI. Deciphering the mystery of hexagon holes in an all-boron graphene α-sheet. Physical Chemistry Chemical Physics : Pccp. 13: 11575-8. PMID 21603683 DOI: 10.1039/c1cp20439d  1
2011 Romanescu C, Sergeeva AP, Li WL, Boldyrev AI, Wang LS. Planarization of B7- and B12- clusters by isoelectronic substitution: AlB6- and AlB11-. Journal of the American Chemical Society. 133: 8646-53. PMID 21520972 DOI: 10.1021/ja2012438  1
2011 Galeev TR, Ivanov AS, Romanescu C, Li WL, Bozhenko KV, Wang LS, Boldyrev AI. Molecular wheel to monocyclic ring transition in boron-carbon mixed clusters C2B6⁻ and C3B5⁻. Physical Chemistry Chemical Physics : Pccp. 13: 8805-10. PMID 21487619 DOI: 10.1039/c1cp20359b  1
2011 Martínez-Guajardo G, Sergeeva AP, Boldyrev AI, Heine T, Ugalde JM, Merino G. Unravelling phenomenon of internal rotation in B13+ through chemical bonding analysis. Chemical Communications (Cambridge, England). 47: 6242-4. PMID 21461423 DOI: 10.1039/c1cc10821b  1
2011 Alexandrova AN, Boldyrev AI, Li X, Sarkas HW, Hendricks JH, Arnold ST, Bowen KH. Lithium cluster anions: photoelectron spectroscopy and ab initio calculations. The Journal of Chemical Physics. 134: 044322. PMID 21280740 DOI: 10.1063/1.3532832  1
2011 Pokhodnya K, Olson C, Dai X, Schulz DL, Boudjouk P, Sergeeva AP, Boldyrev AI. Flattening a puckered cyclohexasilane ring by suppression of the pseudo-Jahn-Teller effect. The Journal of Chemical Physics. 134: 014105. PMID 21218995 DOI: 10.1063/1.3516179  1
2011 Weck PF, Sergeeva AP, Kim E, Boldyrev AI, Czerwinski KR. Chemical bonding and aromaticity in trinuclear transition-metal halide clusters. Inorganic Chemistry. 50: 1039-46. PMID 21190332 DOI: 10.1021/ic101779w  1
2011 Galeev TR, Romanescu C, Li WL, Wang LS, Boldyrev AI. Valence isoelectronic substitution in the B8 - and B9 - molecular wheels by an Al dopant atom: Umbrella-like structures of AlB7 - and AlB8 - Journal of Chemical Physics. 135. DOI: 10.1063/1.3625959  1
2011 Galeev TR, Boldyrev AI. Recent advances in aromaticity and antiaromaticity in transition-metal systems Annual Reports On the Progress of Chemistry - Section C. 107: 124-147. DOI: 10.1039/c1pc90004h  1
2011 Galeev TR, Boldyrev AI. Planarity takes over in the CxHxP6-x (x = 0-6) series at x = 4 Physical Chemistry Chemical Physics. 13: 20549-20556. DOI: 10.1039/c1cp21959f  1
2011 Galeev TR, Chen Q, Guo JC, Bai H, Miao CQ, Lu HG, Sergeeva AP, Li SD, Boldyrev AI. Deciphering the mystery of hexagon holes in an all-boron grapheme α-sheet Physical Chemistry Chemical Physics. 13: 11575-11578. DOI: 10.1039/c1cp20439d  1
2011 Galeev TR, Ivanov AS, Romanescu C, Li WL, Bozhenko KV, Wang LS, Boldyrev AI. Molecular wheel to monocyclic ring transition in boron-carbon mixed clusters C2B6 ̄ and C3B 5 ̄ Physical Chemistry Chemical Physics. 13: 8805-8810. DOI: 10.1039/c1cp20359b  1
2011 Perez-Peralta N, Boldyrev AI. Ab initio study of lithiathion of the Si4 - cluster Journal of Physical Chemistry A. 115: 11551-11558. DOI: 10.1021/jp2074754  1
2011 Li WL, Romanescu C, Galeev TR, Wang LS, Boldyrev AI. Aluminum avoids the central position in AlB9 - and AlB10 -: Photoelectron spectroscopy and ab initio study Journal of Physical Chemistry A. 115: 10391-10397. DOI: 10.1021/jp205873g  1
2011 Romanescu C, Sergeeva AP, Li WL, Boldyrev AI, Wang LS. Planarization of B 7 - and B 12 - clusters by isoelectronic substitution: AlB 6 - and AlB 11 - Journal of the American Chemical Society. 133: 8646-8653. DOI: 10.1021/ja2012438  1
2011 Week PF, Sergeeva AP, Kim E, Boldyrev AI, Czerwinski KR. Chemical bonding and aromaticity in trinuclear transition-metal halide clusters Inorganic Chemistry. 50: 1039-1046. DOI: 10.1021/ic101779w  1
2011 Olson JK, Boldyrev AI. Ab initio search for global minimum structures of neutral and anionic B 4H 5 clusters. Optical isomerism in B 4H 5 and B 4H 5 - Chemical Physics Letters. 517: 62-67. DOI: 10.1016/j.cplett.2011.10.009  1
2011 Olson JK, Boldyrev AI. Ab initio characterization of the flexural B3H8 - anion found in the reversible dehydrogenation Computational and Theoretical Chemistry. 967: 1-4. DOI: 10.1016/j.comptc.2011.04.011  1
2011 Olson JK, Boldyrev AI. Ab initio search for global minimum structures of neutral and anionic B4H4 clusters Chemical Physics. 379: 1-5. DOI: 10.1016/j.chemphys.2010.09.012  1
2011 Sergeeva AP, Boldyrev AI. Rational Design of Small 3D Gold Clusters Journal of Cluster Science. 22: 321-329. DOI: 10.1007/s10876-011-0386-2  1
2011 Romanescu C, Galeev TR, Li WL, Boldyrev AI, Wang LS. Aromatic metal-centered monocyclic boron rings: CoB8 - and RuB9 - Angewandte Chemie - International Edition. 50: 9334-9337. DOI: 10.1002/anie.201104166  1
2010 Huang W, Sergeeva AP, Zhai HJ, Averkiev BB, Wang LS, Boldyrev AI. A concentric planar doubly π-aromatic B₁₉⁻ cluster. Nature Chemistry. 2: 202-6. PMID 21124477 DOI: 10.1038/nchem.534  1
2010 Wang LM, Averkiev BB, Ramilowski JA, Huang W, Wang LS, Boldyrev AI. Planar to linear structural transition in small boron-carbon mixed clusters: C(x)B(5-x)- (x = 1-5). Journal of the American Chemical Society. 132: 14104-12. PMID 20857982 DOI: 10.1021/ja103846q  1
2010 Sergeeva AP, Boldyrev AI. δ-Bonding in the [Pd4(μ4-C9H9)(μ4-C8H8)]+ sandwich complex. Physical Chemistry Chemical Physics : Pccp. 12: 12050-4. PMID 20725684 DOI: 10.1039/c0cp00475h  1
2010 Wang H, Ko YJ, Bowen KH, Sergeeva AP, Averkiev BB, Boldyrev AI. Combined experimental and theoretical investigation of three-dimensional, nitrogen-doped, gallium cluster anions. The Journal of Physical Chemistry. A. 114: 11070-7. PMID 20373798 DOI: 10.1021/jp101419b  1
2010 Sergeeva AP, Boldyrev AI. The chemical bonding of Re3Cl9 AND Re3Cl9 2- Revealed by the adaptive natural density partitioning analyses Comments On Inorganic Chemistry. 31: 2-12. DOI: 10.1080/02603590903498639  1
2010 Sergeeva AP, Boldyrev AI. δ-Bonding in the [Pd4(μ4-C9H 9)(μ4-C8H8)]+ sandwich complex Physical Chemistry Chemical Physics. 12: 12050-12054. DOI: 10.1039/c0cp00475h  1
2010 Sergeeva AP, Boldyrev AI. Flattening a puckered pentasilacyclopentadienide ring by suppression of the pseudo Jahn-Teller effect Organometallics. 29: 3951-3954. DOI: 10.1021/om1006038  1
2010 Zubarev DY, Boldyrev AI. Multiple aromaticity, multiple antiaromaticity, and conflicting aromaticity in planar clusters Science and Technology of Atomic, Molecular, Condensed Matter and Biological Systems. 1: 219-267. DOI: 10.1016/B978-0-444-53440-8.00005-7  1
2010 Sergeeva AP, Averkiev BB, Boldyrev AI. All-transition metal aromaticity and antiaromaticity Structure and Bonding. 136: 275-306. DOI: 10.1007/978-3-642-05243-9_8  1
2009 Averkiev BB, Wang LM, Huang W, Wang LS, Boldyrev AI. Experimental and theoretical investigations of CB8-: towards rational design of hypercoordinated planar chemical species. Physical Chemistry Chemical Physics : Pccp. 11: 9840-9. PMID 19851564 DOI: 10.1039/b908973j  1
2009 Olson JK, Boldyrev AI. Ab initio search for global minimum structures of the novel B3H(y) (y = 4-7) neutral and anionic clusters. Inorganic Chemistry. 48: 10060-7. PMID 19803489 DOI: 10.1021/ic900905h  0.96
2009 Wang XB, Sergeeva AP, Xing XP, Massaouti M, Karpuschkin T, Hampe O, Boldyrev AI, Kappes MM, Wang LS. Probing the electronic stability of multiply charged anions: sulfonated pyrene tri- and tetraanions. Journal of the American Chemical Society. 131: 9836-42. PMID 19552438 DOI: 10.1021/ja903615g  1
2009 Wang XB, Sergeeva AP, Yang J, Xing XP, Boldyrev AI, Wang LS. Photoelectron spectroscopy of cold hydrated sulfate clusters, SO4(2-)(H2O)n (n = 4-7): temperature-dependent isomer populations. The Journal of Physical Chemistry. A. 113: 5567-76. PMID 19419223 DOI: 10.1021/jp900682g  1
2009 Wang LM, Huang W, Wang LS, Averkiev BB, Boldyrev AI. Experimental and theoretical investigation of three-dimensional nitrogen-doped aluminum clusters Al8N- and Al8N. The Journal of Chemical Physics. 130: 134303. PMID 19355728 DOI: 10.1063/1.3097761  1
2009 Zubarev DY, Boldyrev AI. Deciphering chemical bonding in golden cages. The Journal of Physical Chemistry. A. 113: 866-8. PMID 19175335 DOI: 10.1021/jp808103t  1
2009 Wang XB, Sergeeva AP, Xing XP, Massaouti M, Karpuschkin T, Hampe O, Boldyrev AI, Kappes MM, Wang LS. Probing the electronic stability of multiply charged anions: Sulfonated pyrene tri- and tetraanions Journal of the American Chemical Society. 131: 9836-9842. DOI: 10.1021/ja903615g  1
2009 Olson JK, Boldyrev AI. Ab initio search for global minimum structures of the novel B 3Hy (y=4-7) neutral and anionic clusters Inorganic Chemistry. 48: 10060-10067. DOI: 10.1021/ic900905h  1
2008 Zubarev DY, Boldyrev AI. Revealing intuitively assessable chemical bonding patterns in organic aromatic molecules via adaptive natural density partitioning. The Journal of Organic Chemistry. 73: 9251-8. PMID 18980326 DOI: 10.1021/jo801407e  1
2008 Zubarev DY, Boldyrev AI. Developing paradigms of chemical bonding: adaptive natural density partitioning. Physical Chemistry Chemical Physics : Pccp. 10: 5207-17. PMID 18728862 DOI: 10.1039/b804083d  1
2008 Zubarev DY, Boldyrev AI. Comment on "Instability of the Al4(2-) 'all-metal aromatic' ion and its implications". The Journal of Physical Chemistry. A. 112: 7984-5; discussion 7. PMID 18671377 DOI: 10.1021/jp802760n  1
2008 Averkiev BB, Zubarev DY, Wang LM, Huang W, Wang LS, Boldyrev AI. Carbon avoids hypercoordination in CB6(-), CB6(2-), and C2B5(-) planar carbon-boron clusters. Journal of the American Chemical Society. 130: 9248-50. PMID 18582042 DOI: 10.1021/ja801211p  1
2008 Sergeeva AP, Zubarev DY, Zhai HJ, Boldyrev AI, Wang LS. A photoelectron spectroscopic and theoretical study of B16- and B16(2-): an all-boron naphthalene. Journal of the American Chemical Society. 130: 7244-6. PMID 18479137 DOI: 10.1021/ja802494z  1
2008 Yang J, Xing XP, Wang XB, Wang LS, Sergeeva AP, Boldyrev AI. Negative electron binding energies observed in a triply charged anion: photoelectron spectroscopy of 1-hydroxy-3,6,8-pyrene-trisulfonate. The Journal of Chemical Physics. 128: 091102. PMID 18331078 DOI: 10.1063/1.2889001  1
2008 Averkiev BB, Call S, Boldyrev AI, Wang LM, Huang W, Wang LS. Photoelectron spectroscopy and Ab initio study of the structure and bonding of Al7N- and Al7N. The Journal of Physical Chemistry. A. 112: 1873-9. PMID 18232674 DOI: 10.1021/jp7106236  1
2008 Zubarev DY, Averkiev BB, Zhai HJ, Wang LS, Boldyrev AI. Aromaticity and antiaromaticity in transition-metal systems. Physical Chemistry Chemical Physics : Pccp. 10: 257-67. PMID 18213412 DOI: 10.1039/b713646c  1
2008 Averkiev BB, Boldyrev AI. Theoretical design of planar molecules with a nona- and decacoordinate central atom Russian Journal of General Chemistry. 78: 769-773. DOI: 10.1134/S1070363208040361  1
2007 Averkiev BB, Boldyrev AI. Hf3 cluster is triply (sigma-, pi-, and delta-) aromatic in the lowest D3h, 1A1' state. The Journal of Physical Chemistry. A. 111: 12864-6. PMID 18020433 DOI: 10.1021/jp077528b  1
2007 Wang LM, Huang W, Averkiev BB, Boldyrev AI, Wang LS. CB7-: experimental and theoretical evidence against hypercoordinate planar carbon. Angewandte Chemie (International Ed. in English). 46: 4550-3. PMID 17487912 DOI: 10.1002/anie.200700869  1
2007 Zhai HJ, Averkiev BB, Zubarev DY, Wang LS, Boldyrev AI. Delta aromaticity in [Ta3O3]-. Angewandte Chemie (International Ed. in English). 46: 4277-80. PMID 17465436 DOI: 10.1002/anie.200700442  1
2007 Call ST, Zubarev DY, Boldyrev AI. Global minimum structure searches via particle swarm optimization. Journal of Computational Chemistry. 28: 1177-86. PMID 17299774 DOI: 10.1002/jcc.20621  1
2007 Zubarev DY, Boldyrev AI, Li J, Zhai HJ, Wang LS. On the chemical bonding of gold in auro-boron oxide clusters AunBO- (n = 1-3). The Journal of Physical Chemistry. A. 111: 1648-58. PMID 17298038 DOI: 10.1021/jp0657437  1
2007 Averkiev BB, Boldyrev AI, Li X, Wang LS. Probing the structure and bonding in Al6N- and Al6N by photoelectron spectroscopy and ab initio calculations. The Journal of Physical Chemistry. A. 111: 34-41. PMID 17201385 DOI: 10.1021/jp066747e  1
2007 Zubarev DY, Boldyrev AI. Comprehensive analysis of chemical bonding in boron clusters. Journal of Computational Chemistry. 28: 251-68. PMID 17111395 DOI: 10.1002/jcc.20518  1
2006 Averkiev BB, Boldyrev AI, Li X, Wang LS. Planar nitrogen-doped aluminum clusters AlxN- (x=3-5). The Journal of Chemical Physics. 125: 124305. PMID 17014172 DOI: 10.1063/1.2335449  1
2006 Zubarev DY, Li J, Wang LS, Boldyrev AI. Theoretical probing of deltahedral closo-auroboranes B(x)Au(x)2- (x = 5-12). Inorganic Chemistry. 45: 5269-71. PMID 16813385 DOI: 10.1021/ic060615i  1
2006 Cui LF, Huang X, Wang LM, Zubarev DY, Boldyrev AI, Li J, Wang LS. Sn12(2-): stannaspherene. Journal of the American Chemical Society. 128: 8390-1. PMID 16802791 DOI: 10.1021/ja062052f  1
2006 Zubarev DY, Boldyrev AI, Li X, Wang LS. Observation of triatomic species with conflicting aromaticity: AlSi2- and AlGe2-. The Journal of Physical Chemistry. B. 110: 9743-6. PMID 16706418 DOI: 10.1021/jp060690e  1
2006 Zubarev DY, Alexandrova AN, Boldyrev AI, Cui LF, Li X, Wang LS. On the structure and chemical bonding of Si6(2-) and Si6(2-) in NaSi6(-) upon Na+ coordination. The Journal of Chemical Physics. 124: 124305. PMID 16599672 DOI: 10.1063/1.2177254  1
2006 Zhai HJ, Wang LS, Zubarev DY, Boldyrev AI. Gold apes hydrogen. The structure and bonding in the planar B7Au2- and B7Au2 clusters. The Journal of Physical Chemistry. A. 110: 1689-93. PMID 16450996 DOI: 10.1021/jp0559074  1
2006 Alexandrova AN, Koyle E, Boldyrev AI. Theoretical study of hydrogenation of the doubly aromatic B7- cluster. Journal of Molecular Modeling. 12: 569-76. PMID 16261298 DOI: 10.1007/s00894-005-0035-5  1
2006 Alexandrova AN, Boldyrev AI, Zhai HJ, Wang LS. All-boron aromatic clusters as potential new inorganic ligands and building blocks in chemistry Coordination Chemistry Reviews. 250: 2811-2866. DOI: 10.1016/j.ccr.2006.03.032  1
2005 Alexandrova AN, Boldyrev AI. Search for the Lin(0/+1/-1) (n = 5-7) Lowest-Energy Structures Using the ab Initio Gradient Embedded Genetic Algorithm (GEGA). Elucidation of the Chemical Bonding in the Lithium Clusters. Journal of Chemical Theory and Computation. 1: 566-80. PMID 26641677 DOI: 10.1021/ct050093g  1
2005 Elliott BM, Boldyrev AI. Ab initio probing of the aromatic oxygen cluster O4(2+). The Journal of Physical Chemistry. A. 109: 236-9. PMID 16839112 DOI: 10.1021/jp0473016  1
2005 Elliott BM, Boldyrev AI. The oxygen-rich carboxide series: COn (n = 3, 4, 5, 6, 7, or 8). The Journal of Physical Chemistry. A. 109: 3722-7. PMID 16839040 DOI: 10.1021/jp0449455  1
2005 Alexandrova AN, Boldyrev AI, Zhai HJ, Wang LS. Cu3C4-: a new sandwich molecule with two revolving C2(2-) units. The Journal of Physical Chemistry. A. 109: 562-70. PMID 16833380 DOI: 10.1021/jp047384q  1
2005 Elliott BM, Koyle E, Boldyrev AI, Wang XB, Wang LS. MX3(-) superhalogens (M = Be, Mg, Ca; X = Cl, Br): a photoelectron spectroscopic and ab initio theoretical study. The Journal of Physical Chemistry. A. 109: 11560-7. PMID 16354048 DOI: 10.1021/jp054036v  1
2005 Zubarev DY, Boldyrev AI, Li X, Cui LF, Wang LS. Chemical bonding in Si5(2-) and NaSi5(-) via photoelectron spectroscopy and ab initio calculations. The Journal of Physical Chemistry. A. 109: 11385-94. PMID 16354025 DOI: 10.1021/jp0526748  1
2005 Boldyrev AI, Wang LS. All-metal aromaticity and antiaromaticity. Chemical Reviews. 105: 3716-57. PMID 16218565 DOI: 10.1021/cr030091t  1
2005 Zubarev DY, Boldyrev AI. Appraisal of the performance of nonhybrid density functional methods in characterization of the Al4C molecule. The Journal of Chemical Physics. 122: 144322. PMID 15847537 DOI: 10.1063/1.1873532  1
2005 Alexandrova AN, Boldyrev AI, Zhai HJ, Wang LS. Photoelectron spectroscopy and ab initio study of the doubly antiaromatic B(6) (2-) dianion in the LiB(6) (-) cluster. The Journal of Chemical Physics. 122: 54313. PMID 15740328 DOI: 10.1063/1.1839575  1
2004 Zhai HJ, Kuznetsov AE, Boldyrev AI, Wang LS. Multiple aromaticity and antiaromaticity in silicon clusters. Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry. 5: 1885-91. PMID 15648137 DOI: 10.1002/cphc.200400077  1
2004 Alexandrova AN, Boldyrev AI, Fu YJ, Yang X, Wang XB, Wang LS. Structure of the Na(x)Cl(x+1) (-) (x=1-4) clusters via ab initio genetic algorithm and photoelectron spectroscopy. The Journal of Chemical Physics. 121: 5709-19. PMID 15366994 DOI: 10.1063/1.1783276  1
2004 Alexandrova AN, Boldyrev AI. Arachno, nido, and closo aromatic isomers of the Li6B6H6 molecule. Inorganic Chemistry. 43: 3588-92. PMID 15180411 DOI: 10.1021/ic049835r  1
2004 Alexandrova AN, Zhai HJ, Wang LS, Boldyrev AI. Molecular wheel B8(2-) as a new inorganic ligand. photoelectron spectroscopy and ab initio characterization of LiB8(-). Inorganic Chemistry. 43: 3552-4. PMID 15180405 DOI: 10.1021/ic049706a  1
2004 Alexandrova AN, Boldyrev AI, Zhai HJ, Wang LS. Electronic Structure, Isomerism, and Chemical Bonding in B 7 - and B 7 Journal of Physical Chemistry A. 108: 3509-3517. DOI: 10.1021/jp037341u  1
2004 Kuznetsov AE, Boldyrev AI. A single π-bond captures 3, 4 and 5 atoms Chemical Physics Letters. 388: 452-456. DOI: 10.1016/j.cplett.2004.02.083  1
2004 Elliott BM, Boldyrev AI. Ozonic acid and its ionic salts: Ab initio probing the O4 2- dianion Inorganic Chemistry. 43: 4109-4111.  1
2003 Zhai HJ, Alexandrova AN, Birch KA, Boldyrev AI, Wang LS. Hepta- and octacoordinate boron in molecular wheels of eight- and nine-atom boron clusters: observation and confirmation. Angewandte Chemie (International Ed. in English). 42: 6004-8. PMID 14679555 DOI: 10.1002/anie.200351874  1
2003 Alexandrova AN, Birch KA, Boldyrev AI. Flattening the b(6)h(6)(2-) octahedron Ab initio prediction of a new family of planar all-boron aromatic molecules. Journal of the American Chemical Society. 125: 10786-7. PMID 12952448 DOI: 10.1021/ja0361906  1
2003 Kuznetsov AE, Birch KA, Boldyrev AI, Li X, Zhai HJ, Wang LS. All-metal antiaromatic molecule: rectangular Al4(4-) in the Li3Al4(-) anion. Science (New York, N.Y.). 300: 622-5. PMID 12714740 DOI: 10.1126/science.1082477  1
2003 Zhai HJ, Wang LS, Alexandrova AN, Boldyrev AI, Zakrzewski VG. Photoelectron Spectroscopy and ab Initio Study of B3 - and B4 - Anions and Their Neutrals Journal of Physical Chemistry A. 107: 9319-9328. DOI: 10.1021/jp0357119  1
2003 Alexandrova AN, Boldyrev AI. σ-Aromaticity and σ-antiaromaticity in alkali metal and alkaline earth metal small clusters Journal of Physical Chemistry A. 107: 554-560. DOI: 10.1021/jp027008a  1
2003 Alexandrova AN, Boldyrev AI, Zhai HJ, Wang LS, Steiner E, Fowler PW. Structure and bonding in B6 - and B6: Planarity and antiaromaticity Journal of Physical Chemistry A. 107: 1359-1369. DOI: 10.1021/jp0268866  1
2003 Elliott B, Alexandrova AN, Boldyrev AI. Hydrogen trioxide anion: A possible atmospheric intermediate and path to oxygen-rich molecules Journal of Physical Chemistry A. 107: 1203-1206. DOI: 10.1021/jp026126v  1
2002 Kuznetsov AE, Zhai HJ, Wang LS, Boldyrev AI. Peculiar antiaromatic inorganic molecules of tetrapnictogen in Na+Pn4- (Pn = P, As, Sb) and important consequences for hydrocarbons. Inorganic Chemistry. 41: 6062-70. PMID 12425634 DOI: 10.1021/ic020426+  1
2002 Kuznetsov AE, Boldyrev AI, Zhai HJ, Li X, Wang LS. Al(6)(2-) - fusion of two aromatic Al(3)(-) units. A combined photoelectron spectroscopy and ab initio study of M(+)[Al(6)(2-)] (M = Li, Na, K, Cu, and Au). Journal of the American Chemical Society. 124: 11791-801. PMID 12296747 DOI: 10.1021/ja027423g  1
2002 Kuznetsov AE, Boldyrev AI. Peculiar transformation of a nonaromatic Al(4)Cl(4)(NH(3))(4) into an aromatic Na(2)Al(4)Cl(4)(NH(3))(4). Inorganic Chemistry. 41: 3596-8. PMID 12099859 DOI: 10.1021/ic0256314  1
2002 Zhai HJ, Yang X, Wang XB, Wang LS, Elliott B, Boldyrev AI. In search of covalently bound tetra- and penta-oxygen species: a photoelectron spectroscopic and Ab initio investigation of MO4- and MO5- (M = Li, Na, K, Cs). Journal of the American Chemical Society. 124: 6742-50. PMID 12047195 DOI: 10.1021/ja020097k  1
2002 Geske GD, Boldyrev AI. Ab initio structure of the (Na(2)[CAl(4)])(2) dimer. Next step toward solid materials containing tetracoordinate planar carbon. Inorganic Chemistry. 41: 2795-8. PMID 12005505 DOI: 10.1021/ic0112241  1
2002 Boldyrev AI, Kuznetsov AE. On the resonance energy in new all-metal aromatic molecules. Inorganic Chemistry. 41: 532-7. PMID 11825080 DOI: 10.1021/ic010840u  1
2002 Zhai HJ, Wang LS, Alexandrova AN, Boldyrev AI. Electronic structure and chemical bonding of B5 - and B5 by photoelectron spectroscopy and ab initio calculations Journal of Chemical Physics. 117: 7917-7924. DOI: 10.1063/1.1511184  1
2002 Li X, Wang LS, Cannon NA, Boldyrev AI. Electronic structure and chemical boning in nonstoichiometric molecules: Al3X2 -(X=C,Si,Ge). A photoelectron spectroscopy and ab initio study Journal of Chemical Physics. 116: 1330-1338. DOI: 10.1063/1.1429652  1
2002 Kuznetsov AE, Boldyrev AI. Theoretical evidence of aromaticity in X3 - (X = B, Al, Ga) species Structural Chemistry. 13: 141-148. DOI: 10.1023/A:1015704515336  1
2002 Al-Shemali M, Boldyrev AI. Search for ionic orthocarbonates: Ab initio study of Na4CO4 Journal of Physical Chemistry A. 106: 8951-8954. DOI: 10.1021/jp020207+  1
2002 Zhai HJ, Wang LS, Kuznetsov AE, Boldyrev AI. Probing the electronic structure and aromaticity of pentapnictogen cluster anions Pn5 - (Pn = P, As, Sb, and Bi) using photoelectron spectroscopy and ab initio calculations Journal of Physical Chemistry A. 106: 5600-5606. DOI: 10.1021/jp020115k  1
2001 Kuznetsov AE, Corbett JD, Wang LS, Boldyrev AI. Aromatic Mercury Clusters in Ancient Amalgams Work done at Utah State University is supported by the donors to The Petroleum Research Fund, administered by the American Chemical Society. Work done at Iowa State University is supported by Basic Energy Sciences, the U.S. Department of Energy. Work done at Washington State University is supported by the National Science Foundation (DMR-0095828) and performed at the W. R. Wiley Environmental Molecular Sciences Laboratory, a national scientific user facility sponsored by DOE's Office of Biological and Environmental Research and located at Pacific Northwest National Laboratory, which is operated for DOE by Battelle. Angewandte Chemie (International Ed. in English). 40: 3369-3372. PMID 11592141 DOI: 10.1002/1521-3773(20010917)40:18<3369::AID-ANIE3369>3.0.CO;2-Z  1
2001 Kuznetsov AE, Boldyrev AI, Li X, Wang LS. On the aromaticity of square planar Ga4(2-) and In4(2-) in gaseous NaGa4- and NaIn4- clusters. Journal of the American Chemical Society. 123: 8825-31. PMID 11535089 DOI: 10.1021/ja0106117  1
2001 Li X, Zhang HF, Wang LS, Kuznetsov AE, Cannon NA, Boldyrev AI. Experimental and Theoretical Observations of Aromaticity in Heterocyclic XAl(3)(-) (X=Si, Ge, Sn, Pb) Systems The experimental work reported herein was supported by the National Science Foundation (DMR-0095828) and was performed at the W. R. Wiley Environmental Molecular Sciences Laboratory, a national scientific user facility sponsored by the DOE's Office of Biological and Environmental Research and located at the Pacific Northwest National Laboratory, which is operated for DOE by the Battelle Memorial Institute. L.S.W. is an Alfred P. Sloan Foundation Research Fellow. The theoretical work was carried out at the Utah State University and was supported by the donors of The Petroleum Research Fund (ACS-PRF 35255-AC6), administered by the American Chemical Society. Angewandte Chemie (International Ed. in English). 40: 1867-1870. PMID 11385658 DOI: 10.1002/1521-3773(20010518)40:10<1867::AID-ANIE1867>3.0.CO;2-W  1
2001 Li XL, Kuznetsov AE, Zhang HF, Boldyrev AI, Wang LS. Observation of all-metal aromatic molecules. Science (New York, N.Y.). 291: 859-61. PMID 11157162 DOI: 10.1126/science.291.5505.859  1
2001 Boldyrev AI, Wang LS. Beyond classical stoichiometry: Experiment and theory Journal of Physical Chemistry A. 105: 10759-10775. DOI: 10.1021/jp0122629  1
2000 Li X, Zhang HF, Wang LS, Geske GD, Boldyrev AI. Pentaatomic Tetracoordinate Planar Carbon, Angewandte Chemie (International Ed. in English). 39: 3630-3632. PMID 11091420 DOI: 10.1002/1521-3773(20001016)39:20<3630::AID-ANIE3630>3.0.CO;2-R  1
2000 Boldyrev AI, Li X, Wang LS. Experimental Observation of Pentaatomic Tetracoordinate Planar Si- and Ge-Containing Molecules: MAl(4)(-) and MAl(4) The theoretical work was done at Utah State University and supported by the donors of The Petroleum Research Fund (ACS-PRF no. 35255-AC6), administered by the American Chemical Society. The experimental work was supported by the National Science Foundation (DMR-9622733) and was performed at the W. R. Wiley Environmental Molecular Sciences Laboratory, a national scientific user facility sponsored by DOE's Office of Biological and Environmental Research and located at Pacific Northwest National Laboratory, which is operated for DOE by Battelle Memorial Institute. L.S.W. is an Alfred P. Sloan Foundation Research Fellow. M=Si, Ge. Angewandte Chemie (International Ed. in English). 39: 3307-3310. PMID 11028086 DOI: 10.1002/1521-3773(20000915)39:18<3307::AID-ANIE3307>3.0.CO;2-#  1
2000 Geske GD, Boldyrev AI, Li X, Wang LS. On the origin of planarity in Al5 - and Al5 clusters: The importance of a four-center peripheral bond Journal of Chemical Physics. 113: 5130-5133. DOI: 10.1063/1.1311966  1
2000 Wang LS, Boldyrev AI, Li X, Simons J. Experimental observation of pentaatomic tetracoordinate planar carbon-containing molecules Journal of the American Chemical Society. 122: 7681-7687. DOI: 10.1021/ja993081b  1
2000 Cannon NA, Boldyrev AI, Li X, Wang LS. The electronic structure and chemical bonding of aluminum acetylide: Al2C2 and Al2C2 -: An experimental and theoretical investigation Journal of Chemical Physics. 113: 2671-2679.  1
2000 Boldyrev AI, Li X, Wang LS. "Napoleon hat" structure of tetraatomic molecules. A combined photoelectron spectroscopy and Ab initio study of CAlSi2 - and its neutral Journal of Physical Chemistry A. 104: 5358-5365.  1
2000 Boldyrev AI, Li X, Wang LS. Vibrationally resolved photoelectron spectra of CuCN- and AgCN- and ab initio studies of the structure and bonding in CuCN Journal of Chemical Physics. 112: 3627-3632.  1
1996 Gutowski M, Skurski P, Boldyrev AI, Simons J, Jordan KD. Contribution of electron correlation to the stability of dipole-bound anionic states. Physical Review. A. 54: 1906-1909. PMID 9913678  1
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