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List of works by Alexander I. Boldyrev

"Benzation" of graphene upon addition of monovalent chemical species

scientific article

A combined photoelectron spectroscopy and ab initio study of the quasi-planar B24(-) cluster.

scientific article published in October 2013

A concentric planar doubly π-aromatic B19− cluster ⬇️

scientific article published on January 24, 2010

A photoelectron spectroscopic and theoretical study of B16- and B16(2-): an all-boron naphthalene

scientific article published on 15 May 2008

A photoelectron spectroscopy and ab initio study of B21-: negatively charged boron clusters continue to be planar at 21

scientific article published on 01 March 2012

A photoelectron spectroscopy and ab initio study of the structures and chemical bonding of the B25(-) cluster

scientific article published in July 2014

A sandwich-type cluster containing Ge@Pd3 planar fragment flanked by aromatic nonagermanide caps

scientific article published on 20 October 2020

A stable compound of helium and sodium at high pressure

scientific article (publication date: 6 February 2017)

Ab initio search for global minimum structures of the novel B3H(y) (y = 4-7) neutral and anionic clusters

scientific article published in November 2009

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)

scientific article published on 01 October 2002

All-Metal Antiaromatic Molecule: Rectangular Al 4 4- in the Li 3 Al 4 - Anion ⬇️

scientific article published on April 25, 2003

All-Metal Antiaromaticity in Sb4 -Type Lanthanocene Anions.

scientific article published on 8 April 2016

All-boron analogues of aromatic hydrocarbons: B17− and B18− ⬇️

scientific article published on June 14, 2011

All-metal σ-antiaromaticity in dimeric cluster anion {[CuGe9Mes]2}4

scientific article published on 13 May 2020

All-nitrogen analogue of ozone: Li₃N₃ species.

scientific article published on 17 April 2014

Aluminum Avoids the Central Position in AlB9–and AlB10–: Photoelectron Spectroscopy and ab Initio Study

scholarly article by Wei-Li Li et al published 29 September 2011 in Journal of Physical Chemistry A

Aluminum chain in Li2Al3H8(-) as suggested by photoelectron spectroscopy and ab initio calculations

scientific article published on 11 September 2015

Analysis of Why Boron Avoids sp2 Hybridization and Classical Structures in the BnHn+2 Series

scientific article published on 28 June 2012

Anion Photoelectron Spectroscopy and CASSCF/CASPT2/RASSI Study of Lan(-) (n = 1, 3-7).

scientific article published on 27 October 2015

Antiferromagnetic Stabilization in the Ti8O12 Cluster.

scientific article published on 15 December 2015

Appraisal of the performance of nonhybrid density functional methods in characterization of the Al4C molecule

scientific article published in April 2005

Arachno, nido, and closo aromatic isomers of the Li6B6H6 molecule.

scientific article

Aromatic character of [Au13]5+ and [MAu12]4+/6+ (M = Pd, Pt) cores in ligand protected gold nanoclusters - interplay between spherical and planar σ-aromatics

scientific article published on 07 November 2019

Aromatic metal-centered monocyclic boron rings: Co©B8- and Ru©B9-

scientific article published on 31 August 2011

Aromaticity and Antiaromaticity in Zintl Clusters

scientific article published on 11 July 2018

Aromaticity and antiaromaticity in transition-metal systems

scientific article

Assessing the viability of extended nonmetal atom chains in M(n)F(4n+2) (M=S and Se)

scientific article published on 04 December 2014

B 26 − : The smallest planar boron cluster with a hexagonal vacancy and a complicated potential landscape

B22– and B23–: All-Boron Analogues of Anthracene and Phenanthrene

scholarly article by Alina P. Sergeeva et al published 17 October 2012 in Journal of the American Chemical Society

Ba and Sr Binary Phosphides: Synthesis, Crystal Structures, and Bonding Analysis.

scientific article

Beyond organic chemistry: aromaticity in atomic clusters

scientific article published on 01 April 2016

Boron-made N2: Realization of a B≡B Triple Bond in the B2Al3- Cluster

scientific article published on 06 April 2020

CB7-: experimental and theoretical evidence against hypercoordinate planar carbon

scientific article published on 01 January 2007

Can aromaticity be a kinetic trap? Example of mechanically interlocked aromatic [2-5]catenanes built from cyclo[18]carbon

scientific article published on 05 February 2020

Carbon avoids hypercoordination in CB6(-), CB6(2-), and C2B5(-) planar carbon-boron clusters

scientific article published on 27 June 2008

Chemical Bonding and Aromaticity in Trinuclear Transition-Metal Halide Clusters ⬇️

scientific article published on December 29, 2010

Chemical bonding analysis of excited states using the adaptive natural density partitioning method

scientific article published on 01 May 2019

Chemical bonding in Si5(2-) and NaSi5(-) via photoelectron spectroscopy and ab initio calculations

scientific article published on 01 December 2005

Cobalt-centred boron molecular drums with the highest coordination number in the CoB16- cluster

scientific article

Combined experimental and theoretical investigation of three-dimensional, nitrogen-doped, gallium cluster anions

scientific article published on 01 October 2010

Comment on "Instability of the Al4(2-) 'all-metal aromatic' ion and its implications"

scientific article published on 01 August 2008

Complexes between planar boron clusters and transition metals: a photoelectron spectroscopy and ab initio study of CoB12(-) and RhB12(-)

scientific article published on 23 January 2014

Comprehensive analysis of chemical bonding in boron clusters

scientific article published on 01 January 2007

Computational Assessment of an Elusive Aromatic N3P3 Molecule

scientific article published on 10 January 2018

Computationally Designed Crystal Structures of the Supertetrahedral Al4X (X = B, C, Al, Si) Solids

scientific article published on 27 December 2018

Correction: Can aromaticity be a kinetic trap? Example of mechanically interlocked aromatic [2-5]catenanes built from cyclo[18]carbon

scientific article published on 01 April 2020

Cu3C4-: a new sandwich molecule with two revolving C2(2-) units

scientific article

Deciphering aromaticity in porphyrinoids via adaptive natural density partitioning

scientific article (publication date: 8 July 2014)

Deciphering chemical bonding in golden cages

scientific article published in February 2009

Deciphering the mystery of hexagon holes in an all-boron graphene α-sheet

scientific article published on 20 May 2011

Delta aromaticity in [Ta3O3]-

scientific article published on 01 January 2007

Developing paradigms of chemical bonding: adaptive natural density partitioning

scientific article published on 3 July 2008

Dibridged, Monobridged, Vinylidene-Like, and Linear Structures for the Alkaline Earth Dihydrides Be2H2, Mg2H2, Ca2H2, Sr2H2, and Ba2H2. Proposals for Observations

scientific article published on 16 July 2020

Difluorophosphorane-Flattened Phosphorene through Difluorination

scientific article published on 03 December 2018

Electronic Transmutation (ET): Chemically Turning One Element into Another

scientific article published on 8 March 2018

Electronic structure and magnetic properties of the triangular nanographenes with radical substituents: a DFT study

scientific article published on 18 December 2019

Expansion of Magnetic Aromaticity Criteria to Multilayer Structures: Magnetic Response and Spherical Aromaticity of Matryoshka-Like Cluster [Sn@Cu12 @Sn20 ]12

scientific article published on 31 January 2020

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 E

scientific article published on 01 May 2001

Experimental and computational evidence of octa- and nona-coordinated planar iron-doped boron clusters: Fe©B8− and Fe©B9−

article

Experimental and theoretical investigation of three-dimensional nitrogen-doped aluminum clusters Al8N- and Al8N

scientific article published on 01 April 2009

Experimental and theoretical investigations of CB8-: towards rational design of hypercoordinated planar chemical species

scientific article published on 09 September 2009

Flattening a puckered cyclohexasilane ring by suppression of the pseudo-Jahn–Teller effect ⬇️

scientific article published on January 7, 2011

Flattening the b(6)h(6)(2-) octahedron Ab initio prediction of a new family of planar all-boron aromatic molecules

scientific article

Geometric and electronic factors in the rational design of transition-metal-centered boron molecular wheels

scientific article published on 01 April 2013

Global minimum structure searches via particle swarm optimization

scientific article published in May 2007

Gold apes hydrogen. The structure and bonding in the planar B7Au2- and B7Au2 clusters

scientific article published on 01 February 2006

Hepta- and octacoordinate boron in molecular wheels of eight- and nine-atom boron clusters: observation and confirmation

scientific article published in December 2003

Hf3 cluster is triply (sigma-, pi-, and delta-) aromatic in the lowest D3h, 1A1' state

scientific article published on 20 November 2007

High-Resolution Photoelectron Imaging of IrB3 - : Observation of a π-Aromatic B3 + Ring Coordinated to a Transition Metal

scientific article published on 16 May 2019

Homocatenation of aluminum: alkane-like structures of Li2Al2 H6 and Li3Al3H8.

scientific article published on 4 March 2015

Homocatenation of aluminum: alkane-like structures of Li2Al2H6 and Li3Al3H8

scientific article published on 20 February 2015

Hydrated Sulfate Clusters SO42-(H2O) n ( n = 1-40): Charge Distribution Through Solvation Shells and Stabilization

scientific article published on 30 April 2019

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).

scientific article

Inorganic Molecular Electride Mg4 O3 : Structure, Bonding, and Nonlinear Optical Properties

scientific article published on 14 March 2019

Inorganic double-helix nanotoroid of simple lithium-phosphorus species.

scientific article published on 2 February 2014

Inorganic double-helix structures of unusually simple lithium-phosphorus species

scientific article published on 23 July 2012

Insight into the Nature of Rim Bonds in Coronene

scientific article published on 18 October 2018

Lithium cluster anions: photoelectron spectroscopy and ab initio calculations

scientific article published in January 2011

Long-range magnetic response of toroidal boron structures: B16 and [Co@B16]-/3- species

scientific article

MX3(-) superhalogens (M = Be, Mg, Ca; X = Cl, Br): a photoelectron spectroscopic and ab initio theoretical study

scientific article published on 01 December 2005

Manganese-centered tubular boron cluster - MnB16 (-): A new class of transition-metal molecules

scientific article published in April 2016

Metalcarbonyl analogues of annelated cyclooctatetraene and cyclodecapentaene derivatives with a planar core cycle: a quantum chemical study

scientific article published on 01 November 2018

Molecular dynamics study of a new metastable allotropic crystalline form of gallium-supertetrahedral gallium

scientific article published on 08 April 2019

Molecular wheel B8(2-) as a new inorganic ligand. photoelectron spectroscopy and ab initio characterization of LiB8(-)

scientific article published on 01 June 2004

Molecular wheel to monocyclic ring transition in boron-carbon mixed clusters C2B6⁻ and C3B5⁻

scientific article published on 12 April 2011

Multiple aromaticity and antiaromaticity in silicon clusters

scientific article published on 01 December 2004

Multiple local σ-aromaticity of nonagermanide clusters

scientific article published on 29 April 2019

Nanoscale stabilization of zintl compounds: 1D ionic Li-P double helix confined inside a carbon nanotube

scientific article published on 01 February 2016

Negative electron binding energies observed in a triply charged anion: photoelectron spectroscopy of 1-hydroxy-3,6,8-pyrene-trisulfonate

scientific article published in March 2008

Novel Strongly Correlated Europium Superhydrides

scientific article published on 09 December 2020

Observation of the highest coordination number in planar species: decacoordinated Ta©B10(-) and Nb©B10(-) anions

scientific article published on 01 February 2012

Observation of triatomic species with conflicting aromaticity: AlSi2- and AlGe2-

scientific article published on 01 May 2006

On the Suppression Mechanism of the Pseudo-Jahn–Teller Effect in Middle E6 (E = P, As, Sb) Rings of Triple-Decker Sandwich Complexes

scientific article published on 30 July 2012

On the aromaticity of square planar Ga4(2-) and In4(2-) in gaseous NaGa4- and NaIn4- clusters

scientific article published on 01 September 2001

On the chemical bonding of gold in auro-boron oxide clusters AunBO- (n = 1-3)

scientific article published on 14 February 2007

On the resonance energy in new all-metal aromatic molecules

scientific article published in February 2002

On the structure and chemical bonding of Si6(2-) and Si6(2-) in NaSi6(-) upon Na+ coordination

scientific article published in March 2006

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)

scientific article published on 01 September 2013

Peculiar All-Metal σ-Aromaticity of the [Au2 Sb16 ](4-) Anion in the Solid State

scientific article

Peculiar Transformations in the CxHxP4-x (x = 0-4) Series

scientific article published on 19 December 2011

Peculiar antiaromatic inorganic molecules of tetrapnictogen in Na+Pn4- (Pn = P, As, Sb) and important consequences for hydrocarbons

scientific article published on 01 November 2002

Peculiar transformation of a nonaromatic Al(4)Cl(4)(NH(3))(4) into an aromatic Na(2)Al(4)Cl(4)(NH(3))(4).

scientific article

Photoelectron spectroscopy and Ab initio study of the structure and bonding of Al7N- and Al7N

scientific article published on 31 January 2008

Photoelectron spectroscopy and ab initio study of boron-carbon mixed clusters: CB9− and C2B8−

article

Photoelectron spectroscopy and ab initio study of the doubly antiaromatic B(6) (2-) dianion in the LiB(6) (-) cluster

scientific article published in February 2005

Photoelectron spectroscopy of cold hydrated sulfate clusters, SO4(2-)(H2O)n (n = 4-7): temperature-dependent isomer populations

scientific article published in May 2009

Planar nitrogen-doped aluminum clusters AlxN- (x=3-5)

scientific article published on 01 September 2006

Planar to Linear Structural Transition in Small Boron−Carbon Mixed Clusters: CxB5−x− (x = 1−5) ⬇️

scientific article published on October 13, 2010

Planarity takes over in the C(x)H(x)P(6-x) (x = 0-6) series at x = 4

scientific article published on 24 August 2011

Planarization of B7- and B12- clusters by isoelectronic substitution: AlB6- and AlB11-

scientific article published on 13 May 2011

Post-anti-van't Hoff-Le Bel motif in atomically thin germanium-copper alloy film

scientific article published on 15 June 2015

Probing the electronic stability of multiply charged anions: sulfonated pyrene tri- and tetraanions.

scientific article published in July 2009

Probing the structure and bonding in Al6N- and Al6N by photoelectron spectroscopy and ab initio calculations

scientific article published on 01 January 2007

Probing the structures and bonding of size-selected boron and doped-boron clusters

scientific article published on 01 July 2019

Realization of Lewis Basic Sodium Anion in the NaBH3 - Cluster

scientific article published on 19 August 2019

Realization of an Al≡Al Triple Bond in the Gas-Phase Na Al Cluster via Double Electronic Transmutation

scientific article published on 21 September 2018

Recent developments and future prospects of all-metal aromatic compounds

scientific article published on 10 June 2015

Record Low Ionization Potentials of Alkali Metal Complexes with Crown Ethers and Cryptands

scientific article published on 27 June 2019

Reliable predictions of unusual molecules

scientific article published on 01 December 2012

Reply to the Comment on "Realization of Lewis Basic Sodium Anion in the NaBH3 - Cluster"

scientific article published on 30 April 2020

Revealing unusual chemical bonding in planar hyper-coordinate Ni2Ge and quasi-planar Ni2Si two-dimensional crystals

scientific article published on 17 September 2015

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

scientific article published in July 2005

Sn12(2-): stannaspherene

scientific article

Solid state adaptive natural density partitioning: a tool for deciphering multi-center bonding in periodic systems

scientific article published on 01 April 2013

Spherical Aromaticity of All-Metal [Bi@In8 Bi12 ]3-/5- Clusters

scientific article published on 30 January 2020

Stability, electronic, and optical properties of two-dimensional phosphoborane

scientific article published on 16 March 2020

Stabilization of a Cl(-)-Cl(-) anion pair in the gas phase: ab initio microsolvation study

scientific article published on 06 February 2014

Structural changes in the series of boron-carbon mixed clusters C(x)B(10-x)- (x = 3-10) upon substitution of boron by carbon

scientific article

Structure and Bonding in [Sb@In8 Sb12 ]3- and [Sb@In8 Sb12 ]5

scientific article published on 13 May 2019

Structure of the Na(x)Cl(x+1) (-) (x=1-4) clusters via ab initio genetic algorithm and photoelectron spectroscopy

scientific article published in September 2004

Superoctahedral two-dimensional metallic boron with peculiar magnetic properties

scientific article published on 01 September 2019

The Existence of a Designer Al=Al Double Bond in the LiAl2 H4- Cluster Formed by Electronic Transmutation

scientific article published on 2 November 2017

The IX (X=O,N,C) Double Bond in Hypervalent Iodine Compounds: Is it Real?

scientific article (publication date: 9 July 2014)

The structurally variable network of spin couplings and migrating paramagnetic centers in binuclear o-quinone Co complexes with biradical acene linkers: a computational DFT study

scientific article published on 01 November 2018

Theoretical probing of deltahedral closo-auroboranes B(x)Au(x)2- (x = 5-12)

scientific article published on 01 July 2006

Transition-Metal-Centered Nine-Membered Boron Rings: MⓒB9 and MⓒB9– (M = Rh, Ir) ⬇️

scientific article published on December 16, 2011

Transition-metal-centered monocyclic boron wheel clusters (M©Bn): a new class of aromatic borometallic compounds.

scientific article published on 5 December 2012

Two-Dimensional Cu2Si Monolayer with Planar Hexacoordinate Copper and Silicon Bonding

scientific article published on 13 February 2015

Understanding boron through size-selected clusters: structure, chemical bonding, and fluxionality

scientific article published on 24 March 2014

Unravelling phenomenon of internal rotation in B13+ through chemical bonding analysis

article

Usefulness of the σ-Aromaticity and σ-Antiaromaticity Concepts for Clusters and Solid-State Compounds.

scientific article published on 7 June 2017

Valence isoelectronic substitution in the B8(-) and B9(-) molecular wheels by an Al dopant atom: umbrella-like structures of AlB7(-) and AlB8(-)

scientific article published on 01 September 2011

[Co2 @Ge16 ]4- : Localized versus Delocalized Bonding in Two Isomeric Intermetalloid Clusters.

scientific article published on 25 October 2017

d-AO spherical aromaticity in Ce6O8.

scientific article published on 18 August 2015

δ-Bonding in the [Pd4(μ4-C9H9)(μ4-C8H8)]+ sandwich complex

scientific article published on 20 August 2010

σ-Aromaticity-Induced Stabilization of Heterometallic Supertetrahedral Clusters [Zn6Ge16]4- and [Cd6Ge16]4

scientific article published on 30 June 2020

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