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Anastassia N. Alexandrova - Publications

Affiliations: 
University of California, Los Angeles, Los Angeles, CA 
Area:
computational biochemistry
Website:
http://www.chemistry.ucla.edu/directory/alexandrova-anastassia-n

88 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
2021 Zandkarimi B, Poths P, Alexandrova AN. When Fluxionality Beats Size Selection:  Acceleration of Ostwald Ripening of Sub-Nano Clusters. Angewandte Chemie (International Ed. in English). PMID 33651898 DOI: 10.1002/anie.202100107  0.6
2021 Hennefarth MR, Alexandrova AN. Heterogeneous Intramolecular Electric Field as a Descriptor of Diels-Alder Reactivity. The Journal of Physical Chemistry. A. 125: 1289-1298. PMID 33523664 DOI: 10.1021/acs.jpca.1c00181  0.56
2020 Deng J, Lin SC, Fuller J, Iñiguez JA, Xiang D, Yang D, Chan G, Chen HM, Alexandrova AN, Liu C. Ambient methane functionalization initiated by electrochemical oxidation of a vanadium (V)-oxo dimer. Nature Communications. 11: 3686. PMID 32703955 DOI: 10.1038/S41467-020-17494-W  0.4
2020 Liu G, Poths P, Zhang X, Zhu Z, Marshall M, Blankenhorn M, Alexandrova AN, Bowen KH. CO Hydrogenation to Formate and Formic Acid by Bimetallic Palladium-Copper Hydride Clusters. Journal of the American Chemical Society. PMID 32250623 DOI: 10.1021/Jacs.0C01855  0.56
2020 Zhang Z, Zandkarimi B, Alexandrova AN. Ensembles of Metastable States Govern Heterogeneous Catalysis on Dynamic Interfaces. Accounts of Chemical Research. PMID 31977181 DOI: 10.1021/Acs.Accounts.9B00531  0.6
2020 Li G, Zandkarimi B, Cass AC, Gorey TJ, Allen BJ, Alexandrova AN, Anderson SL. Sn-modification of Pt/alumina model catalysts: Suppression of carbon deposition and enhanced thermal stability. The Journal of Chemical Physics. 152: 024702. PMID 31941332 DOI: 10.1063/1.5129686  0.6
2019 Kang K, Fuller J, Reath AH, Ziller JW, Alexandrova AN, Yang JY. Installation of internal electric fields by non-redox active cations in transition metal complexes. Chemical Science. 10: 10135-10142. PMID 32015820 DOI: 10.1039/C9Sc02870F  0.4
2019 Fuller J, Wilson TR, Eberhart ME, Alexandrova AN. Charge Density in Enzyme Active Site as a Descriptor of Electrostatic Preorganization. Journal of Chemical Information and Modeling. PMID 30793899 DOI: 10.1021/Acs.Jcim.8B00958  0.4
2019 Zandkarimi B, Alexandrova AN. Dynamics of Subnanometer Pt Clusters Can Break the Scaling Relationships in Catalysis. The Journal of Physical Chemistry Letters. PMID 30633531 DOI: 10.1021/Acs.Jpclett.8B03680  0.6
2018 Zhang Z, Jimenez-Izal E, Hermans I, Alexandrova AN. Dynamic Phase Diagram of Catalytic Surface of Hexagonal Boron Nitride in Conditions of Oxidative Dehydrogenation of Propane. The Journal of Physical Chemistry Letters. PMID 30557024 DOI: 10.1021/Acs.Jpclett.8B03373  0.6
2017 Robinson PJ, Zhang X, McQueen TM, Bowen KH, Alexandrova AN. SmB6(-) Cluster Anion: Covalency Involving f-Orbitals. The Journal of Physical Chemistry. A. PMID 28182423 DOI: 10.1021/Acs.Jpca.7B00247  0.56
2016 Messina MS, Axtell JC, Wang Y, Chong P, Wixtrom AI, Kirlikovali KO, Upton BM, Hunter BM, Shafaat OS, Khan SI, Winkler JR, Gray HB, Alexandrova AN, Maynard HD, Spokoyny AM. Visible Light-Induced Olefin Activation using 3D Aromatic Boron-Rich Cluster Photooxidants. Journal of the American Chemical Society. PMID 27186856 DOI: 10.1021/Jacs.6B03568  1
2016 Ha MA, Alexandrova AN. Oxygen Vacancies of Anatase 101: Extreme Sensitivity to the Density Functional Theory Method. Journal of Chemical Theory and Computation. PMID 27163165 DOI: 10.1021/Acs.Jctc.6B00095  1
2016 Gallup NM, Alexandrova AN. Use of QM/DMD as a Multiscale Approach to Modeling Metalloenzymes Methods in Enzymology. DOI: 10.1016/bs.mie.2016.05.018  1
2015 Qiu J, Zeng G, Ha MA, Ge M, Lin Y, Hettick M, Hou B, Alexandrova AN, Javey A, Cronin SB. Correction to Artificial Photosynthesis on TiO2-Passivated InP Nanopillars. Nano Letters. PMID 26689351 DOI: 10.1021/Acs.Nanolett.5B05117  0.4
2015 Robinson PJ, Alexandrova AN. Assessing the Bonding Properties of Individual Molecular Orbitals. The Journal of Physical Chemistry. A. PMID 26616443 DOI: 10.1021/Acs.Jpca.5B09687  1
2015 Moise G, Gallup NM, Alexandrova AN, Hengge AC, Johnson SJ. Conservative Tryptophan Mutants of the Protein Tyrosine Phosphatase YopH Exhibit Impaired WPD-Loop Function and Crystallize with Divanadate Esters in Their Active Sites. Biochemistry. 54: 6490-500. PMID 26445170 DOI: 10.1021/Acs.Biochem.5B00496  1
2015 Jimenez-Izal E, Alexandrova AN. σ-Aromaticity in polyhydride complexes of Ru, Ir, Os, and Pt. Physical Chemistry Chemical Physics : Pccp. PMID 26414992 DOI: 10.1039/C5Cp04330A  1
2015 Zhang X, Robinson PJ, Ganteför G, Alexandrova A, Bowen KH. Photoelectron spectroscopic and theoretical study of the [HPd(η(2)-H2)](-) cluster anion. The Journal of Chemical Physics. 143: 094307. PMID 26342370 DOI: 10.1063/1.4929998  1
2015 Qiu J, Zeng G, Ha MA, Ge M, Lin Y, Hettick M, Hou B, Alexandrova AN, Javey A, Cronin SB. Artificial Photosynthesis on TiO2-Passivated InP Nanopillars. Nano Letters. PMID 26267352 DOI: 10.1021/Acs.Nanolett.5B02511  1
2015 Zhang X, Ganteför G, Bowen KH, Alexandrova AN. Erratum: "The PtAl(-) and PtAl2 (-) anions: Theoretical and photoelectron spectroscopic characterization" [J. Chem. Phys. 140, 164316 (2014)]. The Journal of Chemical Physics. 142: 129904. PMID 25833616 DOI: 10.1063/1.4916639  0.56
2015 Shen L, Dadras J, Alexandrova AN. Correction: Pure and Zn-doped Pt clusters go flat and upright on MgO(100). Physical Chemistry Chemical Physics : Pccp. 17: 11109. PMID 25806707 DOI: 10.1039/C5Cp90048D  1
2015 Nedd S, Alexandrova AN. The mechanism of the Pd-catalyzed formation of coumarins: A theoretical study Physical Chemistry Chemical Physics. 17: 1347-1353. DOI: 10.1039/c4cp03418j  1
2015 Dadras J, Shen L, Alexandrova A. Pt-Zn clusters on stoichiometric MgO(100) and TiO2(110): Dramatically different sintering behavior Journal of Physical Chemistry C. 119: 6047-6055. DOI: 10.1021/Jp512277X  1
2015 Dadras J, Jimenez-Izal E, Alexandrova AN. Alloying Pt Sub-nano-clusters with Boron: Sintering Preventative and Coke Antagonist? Acs Catalysis. 5: 5719-5727. DOI: 10.1021/Acscatal.5B01513  1
2015 Nechay MR, Valdez CE, Alexandrova AN. Computational treatment of metalloproteins Journal of Physical Chemistry B. 119: 5945-5956. DOI: 10.1021/acs.jpcb.5b00028  1
2015 Zhai H, Ha MA, Alexandrova AN. AFFCK: Adaptive Force-Field-Assisted ab initio Coalescence Kick method for global minimum search Journal of Chemical Theory and Computation. 11: 2385-2393. DOI: 10.1021/acs.jctc.5b00065  1
2015 Qiu J, Zeng G, Ha MA, Hou B, Mecklenburg M, Shi H, Alexandrova AN, Cronin SB. Microscopic Study of Atomic Layer Deposition of TiO2 on GaAs and Its Photocatalytic Application Chemistry of Materials. 27: 7977-7981. DOI: 10.1021/Acs.Chemmater.5B03246  1
2015 Nandula A, Trinh QT, Saeys M, Alexandrova AN. Origin of extraordinary stability of square-planar carbon atoms in surface carbides of cobalt and nickel Angewandte Chemie - International Edition. 54: 5312-5316. DOI: 10.1002/anie.201501049  1
2014 Zhang X, Liu G, Ganteför G, Bowen KH, Alexandrova AN. PtZnH5(-), A σ-Aromatic Cluster. The Journal of Physical Chemistry Letters. 5: 1596-601. PMID 26270102 DOI: 10.1021/Jz500322N  0.56
2014 Nomme J, Li Z, Gipson RM, Wang J, Armijo AL, Le T, Poddar S, Smith T, Santarsiero BD, Nguyen HA, Czernin J, Alexandrova AN, Jung ME, Radu CG, Lavie A. Structure-guided development of deoxycytidine kinase inhibitors with nanomolar affinity and improved metabolic stability. Journal of Medicinal Chemistry. 57: 9480-94. PMID 25341194 DOI: 10.1021/Jm501124J  1
2014 Zhang X, Ganteför G, Bowen KH, Alexandrova AN. The PtAl(-) and PtAl2(-) anions: theoretical and photoelectron spectroscopic characterization. The Journal of Chemical Physics. 140: 164316. PMID 24784279 DOI: 10.1063/1.4873160  0.56
2014 Zhang X, Ganteför G, Bowen KH, Alexandrova AN. The PtAl- and PtAl2 - anions: Theoretical and photoelectron spectroscopic characterization Journal of Chemical Physics. 140. DOI: 10.1063/1.4873160  1
2014 Shen L, Dadras J, Alexandrova AN. Pure and Zn-doped Pt clusters go flat and upright on MgO(100) Physical Chemistry Chemical Physics. 16: 26436-26442. DOI: 10.1039/c4cp01877j  1
2014 Zhang X, Liu G, Ganteför G, Bowen KH, Alexandrova AN. PtZnH5 -, A σ-Aromatic cluster Journal of Physical Chemistry Letters. 5: 1596-1601. DOI: 10.1021/jz500322n  1
2014 Ha MA, Dadras J, Alexandrova A. Rutile-deposited Pt-Pd clusters: A hypothesis regarding the stability at 50/50 ratio Acs Catalysis. 4: 3570-3580. DOI: 10.1021/Cs5011426  1
2014 Valdez CE, Smith QA, Nechay MR, Alexandrova AN. Mysteries of metals in metalloenzymes Accounts of Chemical Research. 47: 3110-3117. DOI: 10.1021/ar500227u  1
2014 Nedd S, Redler RL, Proctor EA, Dokholyan NV, Alexandrova AN. Cu,Zn-superoxide dismutase without Zn is folded but catalytically inactive Journal of Molecular Biology. 426: 4112-4124. DOI: 10.1016/j.jmb.2014.07.016  1
2014 Valdez CE, Gallup NM, Alexandrova AN. Co2+ acireductone dioxygenase: Fe2+ mechanism, Ni2+ mechanism, or something else? Chemical Physics Letters. 604: 77-82. DOI: 10.1016/J.Cplett.2014.04.055  1
2014 Alexandrova AN, Bouchard LS. Sub-Nano Clusters: The Last Frontier of Inorganic Chemistry Advances in Chemical Physics. 156: 73-100. DOI: 10.1002/9781118949702.ch3  1
2013 Alexandrova AN, Huber SM, Tavassoli A. The 3rd Transatlantic Frontiers in Chemistry Symposium. Chemistry (Weinheim An Der Bergstrasse, Germany). 19: 15777-83. PMID 24222388 DOI: 10.1002/Chem.201303417  1
2013 Murphy JM, Armijo AL, Nomme J, Lee CH, Smith QA, Li Z, Campbell DO, Liao HI, Nathanson DA, Austin WR, Lee JT, Darvish R, Wei L, Wang J, Su Y, ... ... Alexandrova AN, et al. Development of new deoxycytidine kinase inhibitors and noninvasive in vivo evaluation using positron emission tomography. Journal of Medicinal Chemistry. 56: 6696-708. PMID 23947754 DOI: 10.1021/Jm400457Y  1
2013 Sparta M, Valdez CE, Alexandrova AN. Metal-dependent activity of Fe and Ni acireductone dioxygenases: How two electrons reroute the catalytic pathway Journal of Molecular Biology. 425: 3007-3018. PMID 23680285 DOI: 10.1016/J.Jmb.2013.05.001  1
2013 Baraldi C, Freguglia G, Tinti A, Sparta M, Alexandrova AN, Gamberini MC. IR, Raman and SERS spectra of propantheline bromide Spectrochimica Acta - Part a: Molecular and Biomolecular Spectroscopy. 103: 1-10. PMID 23228825 DOI: 10.1016/J.Saa.2012.10.070  1
2013 Zhang J, Alexandrova AN. The golden crown: A single Au atom that boosts the CO oxidation catalyzed by a palladium cluster on titania surfaces Journal of Physical Chemistry Letters. 4: 2250-2255. DOI: 10.1021/Jz400981A  1
2013 Valdez CE, Sparta M, Alexandrova AN. The role of the flexible L43-S54 protein loop in the CcrA metallo-β-lactamase in binding structurally dissimilar β-lactam antibiotics Journal of Chemical Theory and Computation. 9: 730-737. DOI: 10.1021/ct300712j  1
2013 Alexandrova AN, Nechay MR, Lydon BR, Buchan DP, Yeh AJ, Tai MH, Kostrikin IP, Gabrielyan L. The same in the bulk but different as clusters: X(X = B, Al, Ga; Y = P, As) Chemical Physics Letters. 588: 37-42. DOI: 10.1016/J.Cplett.2013.10.003  1
2012 Schmidt NW, Lis M, Zhao K, Lai GH, Alexandrova AN, Tew GN, Wong GCL. Molecular basis for nanoscopic membrane curvature generation from quantum mechanical models and synthetic transporter sequences Journal of the American Chemical Society. 134: 19207-19216. PMID 23061419 DOI: 10.1021/Ja308459J  1
2012 Sparta M, Alexandrova AN. How Metal Substitution Affects the Enzymatic Activity of Catechol-O-Methyltransferase Plos One. 7. PMID 23056605 DOI: 10.1371/Journal.Pone.0047172  1
2012 Ramachandran S, Temple B, Alexandrova AN, Chaney SG, Dokholyan NV. Recognition of platinum-DNA adducts by HMGB1a. Biochemistry. 51: 7608-17. PMID 22950413 DOI: 10.1021/Bi3008577  1
2012 Sparta M, Shirvanyants D, Ding F, Dokholyan NV, Alexandrova AN. Hybrid dynamics simulation engine for metalloproteins Biophysical Journal. 103: 767-776. PMID 22947938 DOI: 10.1016/J.Bpj.2012.06.024  1
2012 Kuznetsov VI, Alexandrova AN, Hengge AC. Metavanadate at the active site of the phosphatase VHZ Journal of the American Chemical Society. 134: 14298-14301. PMID 22876963 DOI: 10.1021/Ja305579H  1
2012 Alexandrova AN, Nayhouse MJ, Huynh MT, Kuo JL, Melkonian AV, Chavez G, Hernando NM, Kowal MD, Liu CP. Selected AB4(2-/-) (A = C, Si, Ge; B = Al, Ga, In) ions: a battle between covalency and aromaticity, and prediction of square planar Si in SiIn4(2-/-). Physical Chemistry Chemical Physics : Pccp. 14: 14815-21. PMID 22868353 DOI: 10.1039/C2Cp41821E  1
2012 Zhang J, Alexandrova AN. Double δ-aromaticity in a surface-deposited cluster: Pd 4 on TiO 2 (110) Journal of Physical Chemistry Letters. 3: 751-754. DOI: 10.1021/jz300158s  1
2012 Valdez CE, Alexandrova AN. Why urease is a di-nickel enzyme whereas the CcrA β-lactamase is a di-zinc enzyme Journal of Physical Chemistry B. 116: 10649-10656. DOI: 10.1021/jp302771n  1
2012 Alexandrova AN. Tug of war between AO-hybridization and aromaticity in dictating structures of Li-doped alkali clusters Chemical Physics Letters. 533: 1-5. DOI: 10.1016/J.Cplett.2012.02.075  1
2012 Zhang J, Sergeeva AP, Sparta M, Alexandrova AN. B 13 +: A photodriven molecular Wankel engine Angewandte Chemie - International Edition. 51: 8512-8515. DOI: 10.1002/anie.201202674  1
2011 Alexandrova AN, Jorgensen WL. On the mechanism and rate of spontaneous decomposition of amino acids. The Journal of Physical Chemistry. B. 115: 13624-32. PMID 21995727 DOI: 10.1021/Jp2081808  1
2011 Shirvanyants D, Alexandrova AN, Dokholyan NV. Rigid substructure search Bioinformatics. 27: 1327-1329. PMID 21460026 DOI: 10.1093/Bioinformatics/Btr129  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 Sparta M, Alexandrova AN. Computational design and characterisation of artificial enzymes for Kemp elimination Molecular Simulation. 37: 557-571. DOI: 10.1080/08927022.2011.565760  1
2011 Zhang J, Alexandrova AN. Structure, stability, and mobility of small Pd clusters on the stoichiometric and defective TiO2 (110) surfaces Journal of Chemical Physics. 135. DOI: 10.1063/1.3657833  1
2011 Huynh MT, Alexandrova AN. Persistent covalency and planarity in the BnAl 6-n 2- and LiBnAl6-n - (n = 0-6) cluster ions Journal of Physical Chemistry Letters. 2: 2046-2051. DOI: 10.1021/Jz200865U  1
2010 Alexandrova AN. H·(H2O)n clusters: microsolvation of the hydrogen atom via molecular ab initio gradient embedded genetic algorithm (GEGA). The Journal of Physical Chemistry. A. 114: 12591-9. PMID 21077611 DOI: 10.1021/Jp1092543  1
2010 Alexandrova AN. Promiscuous DNA alkyladenine glycosylase dramatically favors a bound lesion over undamaged adenine. Biophysical Chemistry. 152: 118-27. PMID 20840885 DOI: 10.1016/J.Bpc.2010.08.007  1
2010 Alexandrova AN, Tully JC, Granucci G. Photochemistry of DNA fragments via semiclassical nonadiabatic dynamics. The Journal of Physical Chemistry. B. 114: 12116-28. PMID 20795696 DOI: 10.1021/Jp103322C  1
2009 Alexandrova AN, Jorgensen WL. Origin of the activity drop with the E50D variant of catalytic antibody 34E4 for Kemp elimination. The Journal of Physical Chemistry. B. 113: 497-504. PMID 19132861 DOI: 10.1021/Jp8076084  1
2009 Bopp JC, Alexandrova AN, Elliott BM, Herden T, Johnson MA. Vibrational predissociation spectra of the On -, n = 3-10, 12 clusters: Even-odd alternation in the core ion International Journal of Mass Spectrometry. 283: 94-99. DOI: 10.1016/J.Ijms.2009.02.003  1
2008 Alexandrova AN, Röthlisberger D, Baker D, Jorgensen WL. Catalytic mechanism and performance of computationally designed enzymes for Kemp elimination. Journal of the American Chemical Society. 130: 15907-15. PMID 18975945 DOI: 10.1021/Ja804040S  1
2007 Jorgensen WL, Jensen KP, Alexandrova AN. Polarization Effects for Hydrogen-Bonded Complexes of Substituted Phenols with Water and Chloride Ion. Journal of Chemical Theory and Computation. 3: 1987-1992. PMID 21132092 DOI: 10.1021/Ct7001754  1
2007 Alexandrova AN, Jorgensen WL. Why urea eliminates ammonia rather than hydrolyzes in aqueous solution. The Journal of Physical Chemistry. B. 111: 720-30. PMID 17249815 DOI: 10.1021/Jp066478S  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 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 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 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 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
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 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 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
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