Lista de obras - Hai-Gang Lu - Dominio Público Uruguay

Atomic orbitals in molecules: general electronegativity and improvement of Mulliken population analysis.

artículo científico publicado en 2005

B30H8, B39H9 2−, B42H10, B48H10, and B72H12: polycyclic aromatic snub hydroboron clusters analogous to polycyclic aromatic hydrocarbons ⬇️

artículo científico publicado el 16 de noviembre de 2012

Binary nature of monolayer boron sheets from ab initio global searches

scientific article published on 01 January 2013

CAl2Be3(2-) and its salt complex LiCAl2Be3-: anionic global minima with planar pentacoordinate carbon

artículo científico publicado en 2012

Cage-Like B41 (+) and B42 (2+) : New Chiral Members of the Borospherene Family

artículo científico publicado en 2015

Cage-like B40 (+): a perfect borospherene monocation

artículo científico publicado en 2016

Chemical bonding in electron-deficient boron oxide clusters: core boronyl groups, dual 3c-4e hypervalent bonds, and rhombic 4c-4e bonds

artículo científico publicado en 2014

Comment on "Two-dimensional boron monolayer sheets"

scientific article published on 01 February 2013

D(3h) [A-CE3-A]⁻ (E = Al and Ga, A = Si, Ge, Sn, and Pb): a new class of hexatomic mono-anionic species with trigonal bipyramidal carbon.

artículo científico publicado en 2014

Double-chain planar D2h B4H2, C2h B8H2, and C2h B12H2: conjugated aromatic borenes.

artículo científico publicado en 2012

Endohedral C3 Ca@B39(+) and C2 Ca@B39(+): axially chiral metalloborospherenes based on B39(-).

artículo científico publicado en 2015

Endohedral Ca@B38: stabilization of a B38(2-) borospherene dianion by metal encapsulation

artículo científico publicado en 2016

Endohedral charge-transfer complex Ca@B37(-): stabilization of a B37(3-) borospherene trianion by metal-encapsulation.

artículo científico publicado en 2016

Experimental and theoretical evidence of an axially chiral borospherene

scientific article published on 22 December 2014

Face-capping μ3-BO in B6(BO)7-: boron oxide analogue of B6H7- with rhombic 4c-2e bonds.

artículo científico publicado en 2013

Heteroborospherene clusters Nin ∈ B40 (n = 1-4) and heteroborophene monolayers Ni2 ∈ B14 with planar heptacoordinate transition-metal centers in η7-B7 heptagons

artículo científico publicado en 2017

Hydrogen-bond network and local structure of liquid water: An atoms-in-molecules perspective.

artículo científico publicado en 2008

Observation of an all-boron fullerene

artículo científico publicado en 2014

Perfectly planar boronyl boroxine D3h B6O6: a boron oxide analog of boroxine and benzene.

artículo científico publicado en 2013

Pi and sigma double conjugations in boronyl polyboroene nanoribbons: B(n)(BO)2- and B(n)(BO)2 (n = 5-12).

artículo científico publicado en 2013

Planar π-aromatic C3h B6H(3)(+) and π-antiaromatic C2h B8H2: boron hydride analogues of D3h C3H(3)(+) and D2h C4H4

artículo científico publicado en 2012

Predicting lanthanide boride inverse sandwich tubular molecular rotors with the smallest core-shell structure

scientific article published on 31 October 2019

Predicting two-dimensional semiconducting boron carbides

scientific article published on 05 June 2019

Ribbon aromaticity in double-chain planar B(n)H2(2-) and Li2B(n)H2 nanoribbon clusters up to n = 22: lithiated boron dihydride analogues of polyenes.

artículo científico publicado en 2013

Saturn-like charge-transfer complexes Li₄&B₃₆, Li₅&B₃₆⁺, and Li₆&B₃₆²⁺: exohedral metalloborospherenes with a perfect cage-like B₃₆⁴⁻ core

scientific article published on 31 March 2016

Simplest neutral singlet C2E4 (E = Al, Ga, In, and Tl) global minima with double planar tetracoordinate carbons: equivalence of C2 moieties in C2E4 to carbon centers in CAl4(2-) and CAl5(+).

artículo científico publicado en 2009

Starlike aluminum-carbon aromatic species

scientific article published on 16 December 2010

T(d) B(BO)4(-): a tetrahedral boron oxide cluster analogous to boron hydride T(d) BH4(-).

artículo científico publicado en 2009

Three-chain B(6n+14) cages as possible precursors for the syntheses of boron fullerenes.

artículo científico publicado en 2013

Which Density Functional Should Be Used to Describe Protonated Water Clusters?

artículo científico publicado en 2017

Lista de obras de Hai-Gang Lu

Atomic orbitals in molecules: general electronegativity and improvement of Mulliken population analysis.

B30H8, B39H9 2−, B42H10, B48H10, and B72H12: polycyclic aromatic snub hydroboron clusters analogous to polycyclic aromatic hydrocarbons ⬇️

Binary nature of monolayer boron sheets from ab initio global searches

CAl2Be3(2-) and its salt complex LiCAl2Be3-: anionic global minima with planar pentacoordinate carbon

Cage-Like B41 (+) and B42 (2+) : New Chiral Members of the Borospherene Family

Cage-like B40 (+): a perfect borospherene monocation

Chemical bonding in electron-deficient boron oxide clusters: core boronyl groups, dual 3c-4e hypervalent bonds, and rhombic 4c-4e bonds

Comment on "Two-dimensional boron monolayer sheets"

D(3h) [A-CE3-A]⁻ (E = Al and Ga, A = Si, Ge, Sn, and Pb): a new class of hexatomic mono-anionic species with trigonal bipyramidal carbon.

Double-chain planar D2h B4H2, C2h B8H2, and C2h B12H2: conjugated aromatic borenes.

Endohedral C3 Ca@B39(+) and C2 Ca@B39(+): axially chiral metalloborospherenes based on B39(-).

Endohedral Ca@B38: stabilization of a B38(2-) borospherene dianion by metal encapsulation

Endohedral charge-transfer complex Ca@B37(-): stabilization of a B37(3-) borospherene trianion by metal-encapsulation.

Experimental and theoretical evidence of an axially chiral borospherene

Face-capping μ3-BO in B6(BO)7-: boron oxide analogue of B6H7- with rhombic 4c-2e bonds.

Heteroborospherene clusters Nin ∈ B40 (n = 1-4) and heteroborophene monolayers Ni2 ∈ B14 with planar heptacoordinate transition-metal centers in η7-B7 heptagons

Hydrogen-bond network and local structure of liquid water: An atoms-in-molecules perspective.

Observation of an all-boron fullerene

Perfectly planar boronyl boroxine D3h B6O6: a boron oxide analog of boroxine and benzene.

Pi and sigma double conjugations in boronyl polyboroene nanoribbons: B(n)(BO)2- and B(n)(BO)2 (n = 5-12).

Planar π-aromatic C3h B6H(3)(+) and π-antiaromatic C2h B8H2: boron hydride analogues of D3h C3H(3)(+) and D2h C4H4

Predicting lanthanide boride inverse sandwich tubular molecular rotors with the smallest core-shell structure

Predicting two-dimensional semiconducting boron carbides

Ribbon aromaticity in double-chain planar B(n)H2(2-) and Li2B(n)H2 nanoribbon clusters up to n = 22: lithiated boron dihydride analogues of polyenes.

Saturn-like charge-transfer complexes Li₄&B₃₆, Li₅&B₃₆⁺, and Li₆&B₃₆²⁺: exohedral metalloborospherenes with a perfect cage-like B₃₆⁴⁻ core

Simplest neutral singlet C2E4 (E = Al, Ga, In, and Tl) global minima with double planar tetracoordinate carbons: equivalence of C2 moieties in C2E4 to carbon centers in CAl4(2-) and CAl5(+).

Starlike aluminum-carbon aromatic species

T(d) B(BO)4(-): a tetrahedral boron oxide cluster analogous to boron hydride T(d) BH4(-).

Three-chain B(6n+14) cages as possible precursors for the syntheses of boron fullerenes.

Which Density Functional Should Be Used to Describe Protonated Water Clusters?