A. Largo

发表

Structures and stabilities of charged cobalt-doped carbon clusters

P. Redondo, C. Barrientos, A. Largo, 2008 .

Theoretical methods that help understanding the structure and reactivity of gas phase ions

D. York, X. López, J. M. Ugalde, 2005 .

Formation of Protonated Glycine Isomers in the Interstellar Medium

P. Redondo, M. Sanz‐Novo, C. Barrientos, 2019, ACS Earth and Space Chemistry.

Ionization potential and electron affinity of VCn (n=1–8) open-chain clusters: A theoretical study

P. Redondo, C. Barrientos, A. Largo, 2006 .

Structure and Stability of Small NaC n , NaC n + , and NaC n - Clusters: A Theoretical Study

P. Redondo, C. Barrientos, A. Largo, 2004 .

Theoretical study of possible interstellar processes for the production of C2Cl precursors

C. Barrientos, A. Largo, V. M. Rayón, 1998 .

Medical treatment of advanced colorectal carcinoma

A. Largo, C. G. Castro, L. Sánchez, 2004 .

Structures and stabilities of non-linear VCn+/− (n = 1–8) clusters

P. Redondo, C. Barrientos, A. Largo, 2007 .

Computational study on the affinity of potential drugs to SARS-CoV-2 main protease

P. Redondo, M. Sanz‐Novo, C. Barrientos, 2022, Journal of physics. Condensed matter : an Institute of Physics journal.

Reaction of carbon atoms with H2Cl+: an ab initio study of a possible interstellar process

C. Barrientos, A. Largo, V. M. Rayón, 1996 .

Ionization and protonation of (MgCN): an ab initio study of some gas-phase properties of the first magnesium compound in space

C. Barrientos, A. Largo, 1995 .

Proton affinities of SNH and HSN. An ab initio study of the structures and stabilities of (H2NS)

P. Redondo, A. Largo, 1992 .

An ab initio study of C2S protonation

C. Barrientos, A. Largo, 1991 .

Intrinsic Antioxidant Potential of the Aminoindole Structure: A Computational Kinetics Study of Tryptamine.

Erika N. Bentz, Rosana M Lobayan, P. Redondo, 2018, The journal of physical chemistry. B.

Infra-Red Assisted Synthesis of Prebiotic Glycine.

D. Scuderi, A. Largo, R. Spezia, 2019, Chemphyschem : a European journal of chemical physics and physical chemistry.

Theoretical methods that help understanding the structure and reactivity of gas phase ions

D. York, X. López, J. M. Ugalde, 2005 .

Theoretical studies of possible processes for the interstellar production of phosphorus compounds: reaction of phosphorus(1+) with hydrogen cyanide and protonation of cyanogen phosphide compounds

C. Barrientos, A. Largo, 1991 .

Structure and Stability of Small ZnCn Clusters.

P. Redondo, C. Barrientos, A. Largo, 2007, Journal of chemical theory and computation.

On the competition between linear and cyclic isomers in second-row dicarbides.

P. Redondo, C. Barrientos, A. Largo, 2004, Journal of the American Chemical Society.

Theoretical Study of the C2P Radical and (C2P)+ Species

X. López, J. M. Ugalde, C. Barrientos, 1994 .

A density functional study of CoCn (n = 1–8) clusters: Structures and stabilities

P. Redondo, C. Barrientos, A. Largo, 2008 .

Theoretical study of the structures and stabilities of AlCn, AlC +n, and AlC −n (n = 1–7) monocyclic clusters

P. Redondo, C. Barrientos, A. Largo, 2004 .

The reaction of nitrogen atoms with methyl radicals: Are spin-forbidden channels important?

A. Largo, A. Cimas, 2006, The journal of physical chemistry. A.

Theoretical study of acetyleneboron and acetylenealuminum isomers: the interactions of boron and aluminum atoms with acetylene

A. Largo, J. R. Flores, 1992 .

Cyanide complexes of Ti(IV): a computational study.

P. Redondo, C. Barrientos, A. Largo, 2009, The Journal of chemical physics.

On the molecular structure of uranium dicarbide: T-shape versus linear isomers.

M. F. Zalazar, A. Largo, V. M. Rayón, 2012, The journal of physical chemistry. A.

Structural and electronic properties of ZnCn+/- clusters

P. Redondo, C. Barrientos, A. Largo, 2008 .

Theoretical study of a basic process in interstellar chlorine chemistry: reaction of carbon(1+) with hydrogen chloride

P. Redondo, C. Barrientos, F. Pauzat, 1993 .

Cyanides and isocyanides of first-row transition metals: molecular structure, bonding, and isomerization barriers.

P. Redondo, C. Barrientos, H. Valdés, 2007, The journal of physical chemistry. A.

Computational study of peptide bond formation in the gas phase through ion-molecule reactions.

P. Redondo, C. Barrientos, A. Largo, 2013, Physical chemistry chemical physics : PCCP.

COMPUTATIONAL PREDICTION OF THE SPECTROSCOPIC PARAMETERS OF METHANEDIOL, AN ELUSIVE MOLECULE FOR INTERSTELLAR DETECTION

P. Redondo, C. Barrientos, A. Largo, 2014 .

Theoretical study of CnCl, CnCl+, CnCl− (n=1–7) clusters

P. Redondo, C. Barrientos, A. Largo, 2001 .

The formation of urea in space I. Ion-molecule, neutral-neutral, and radical gas-phase reactions

A. Largo, R. Spezia, Flavio Siro Brigiano, 2017, 1711.03457.

Reaction of C3H2+with Atomic Nitrogen: A Theoretical Study

P. Redondo, C. Barrientos, A. Largo, 2000 .

Theoretical study of possible ion-molecule reactions leading to precursors of glycine in the interstellar medium

Carmen Barrientos, P. Redondo, C. Barrientos, 2004 .

Is the reaction between formic acid and protonated aminomethanol a possible source of glycine precursors in the interstellar medium

P. Redondo, C. Barrientos, A. Largo, 2015 .

GAS-PHASE SYNTHESIS OF PRECURSORS OF INTERSTELLAR GLYCINE: A COMPUTATIONAL STUDY OF THE REACTIONS OF ACETIC ACID WITH HYDROXYLAMINE AND ITS IONIZED AND PROTONATED DERIVATIVES

P. Redondo, C. Barrientos, A. Largo, 2012 .

Could the reactions of formic acid with CH3NH2+/CH3NH3+ produce protonated glycine?

P. Redondo, C. Barrientos, A. Largo, 2010 .

The reaction between NH3+ and CH3COOH: a possible process for the formation of glycine precursors in the interstellar medium

P. Redondo, C. Barrientos, A. Largo, 2010 .

Gas-Phase Reaction of NH2(+) with Acetic Acid: Implications in Astrochemistry.

P. Redondo, C. Barrientos, A. Largo, 2008, Journal of chemical theory and computation.

Structure and spectroscopic properties of imine acetaldehyde: a possible interstellar molecule

P. Redondo, C. Barrientos, A. Largo, 2018 .

Prebiotic molecules formation through the gas-phase reaction between HNO and CH2CHOH2+

P. Redondo, C. Barrientos, A. Largo, 2017 .

Studies on the traditional management, andprocessing of matsutake mushrooms InOaxaca, Mexico

M. Gómez, A. Largo, P. Morales, 2002 .

A theoretical study of the structures and stabilities of SC2H2+ species: the reaction of sulfur(1+) with acetylene

C. Barrientos, A. Largo, 1992 .

A theoretical study of the C2H, C2F and C2Cl radicals and their positive ions

C. Barrientos, A. Largo, 1989 .

Computational study of the thermal reaction rate between S+(4S) and acetylene

M. Aschi, A. Largo, 2001 .

Theoretical study of the C3Cl radical and its cation

P. Redondo, C. Barrientos, A. Largo, 1999 .

Structures and stabilities of CaC3 isomers

L. Ziurys, P. Redondo, C. Barrientos, 2002 .

Small carbides of third-row main group elements: structure and bonding in C3X compounds (X = K-Br).

P. Redondo, C. Barrientos, A. Largo, 2012, Physical chemistry chemical physics : PCCP.

Theoretical study of AlC3

P. Redondo, C. Barrientos, A. Largo, 2001 .

Halogen-abstraction reactions from chloromethane and bromomethane molecules by alkaline-earth monocations.

P. Redondo, C. Barrientos, A. Largo, 2014, Physical chemistry chemical physics : PCCP.

Reactivity of first-row transition metal monocations (Sc+, Ti+, V+, Zn+) with methyl fluoride: a computational study.

P. Redondo, C. Barrientos, A. Largo, 2013, The journal of physical chemistry. A.

Computational study of the reaction of N(2D) atoms with CH2F radicals: an example of a barrier-free reaction involving very high internal energies.

C. Barrientos, M. Aschi, A. Largo, 2005, The Journal of chemical physics.

Structural Trends in Monoboronyl Compounds: Analysis of the Interaction of Second-Row Elements with BO.

P. Redondo, C. Barrientos, A. Largo, 2018, The journal of physical chemistry. A.

Metallic monoboronyl compounds: Prediction of their structure and comparison with the cyanide analogues

Álvaro Vega-Vega, Carmen Barrientos, Antonio Largo, 2017, J. Comput. Chem..

Structure and Spectroscopic Properties of [Mg,C,N,O] Isomers: Plausible Astronomical Molecules

P. Redondo, C. Barrientos, A. Largo, 2017 .

Stability of protonated and ionized hydroxylamine in the interstellar medium

P. Redondo, C. Barrientos, A. Largo, 2009 .

Theoretical Studies of Possible Processes for the Interstellar Production of Phosphorus Compounds: The Reaction of P+ with C3H2

X. López, C. Barrientos, F. Cossío, 1995 .

Molecular Structure and Bonding in Plutonium Carbides: A Theoretical Study of PuC3.

C. Barrientos, A. Largo, G. Molpeceres, 2016, The journal of physical chemistry. A.

Molecular Structure and Bonding in Plutonium Carbides : A 2 Theoretical Study of PuC 3

C. Barrientos, A. Largo, G. Molpeceres, 2016 .

Molecular structure of uranium carbides: isomers of UC3.

M. F. Zalazar, A. Largo, V. M. Rayón, 2013, The Journal of chemical physics.

On the electric dipole moments of small sodium clusters from different theoretical approaches

A. Aguado, A. Vega, A. Largo, 2012 .

Formation of interstellar cyanoacetamide: a rotational and computational study.

C. Barrientos, I. Léon, A. Largo, 2020, Astronomy and astrophysics.

Structure and Spectroscopic Properties of Hydrocalcium Isocyanide Isomers: Plausible Astronomical Ca-bearing Molecules

P. Redondo, C. Barrientos, A. Largo, 2020, The Astrophysical Journal.

Amino acetaldehyde conformers: structure and spectroscopic properties

P. Redondo, C. Barrientos, A. Largo, 2019, Monthly Notices of the Royal Astronomical Society.

Alkaline and Alkaline-earth Cyanoacetylides: A Combined Theoretical and Rotational Spectroscopic Investigation.

J. Cernicharo, J. Alonso, C. Barrientos, 2019, The Journal of chemical physics.

Spectroscopic Parameters of HTiCN/HTiNC: New Titanium Compounds of Astrochemical Interest

P. Redondo, C. Barrientos, A. Largo, 2019, The Astrophysical Journal.

Complex Organic Molecules Formation in Space Through Gas Phase Reactions: A Theoretical Approach

P. Redondo, C. Barrientos, A. Largo, 2017 .

Metallic cyanoacetylides of copper, silver and gold: generation and structural characterization.

J. Alonso, C. Barrientos, C. Cabezas, 2016, Physical chemistry chemical physics : PCCP.

PREDICTION OF THE SPECTROSCOPIC PARAMETERS OF NEW IRON COMPOUNDS: HYDRIDE OF IRON CYANIDE/ISOCYANIDE, HFeCN/HFeNC

P. Redondo, C. Barrientos, A. Largo, 2016 .

Structure and spectroscopic properties of neutral and cationic tetratomic [C,H,N,Zn] isomers: A theoretical study.

P. Redondo, C. Barrientos, A. Largo, 2015, The Journal of chemical physics.

Reactivity of gaseous protonated ozone: a computational investigation on the carbon monoxide oxidation reaction

M. Aschi, A. Largo, 2003 .

Structure and stability of BC2P isomers: a theoretical study

C. Barrientos, A. Largo, A. Cimas, 2003 .

Theoretical Study of the C 3 P Radical and Its Cation

C. Barrientos, A. Largo, E. Río, 1996 .

SYNTHESIS OF FORMAMIDE AND RELATED ORGANIC SPECIES IN THE INTERSTELLAR MEDIUM VIA CHEMICAL DYNAMICS SIMULATIONS

K. Song, W. Hase, A. Largo, 2016 .

Generation and structural characterization of aluminum cyanoacetylide.

J. Cernicharo, J. Alonso, C. Barrientos, 2014, Journal of Chemical Physics.

PEPTIDE BOND FORMATION THROUGH GAS-PHASE REACTIONS IN THE INTERSTELLAR MEDIUM: FORMAMIDE AND ACETAMIDE AS PROTOTYPES

P. Redondo, C. Barrientos, A. Largo, 2014 .

SOME INSIGHTS INTO FORMAMIDE FORMATION THROUGH GAS-PHASE REACTIONS IN THE INTERSTELLAR MEDIUM

P. Redondo, C. Barrientos, A. Largo, 2013 .

Kinetics studies of the reactions of main fourth-period monocations (Ga+, Ge+, As+, and Se+) with methyl fluoride.

P. Redondo, C. Barrientos, A. Largo, 2013, The journal of physical chemistry. A.

Computational study of the reaction of P+ with acetylene: does spin-crossing play a significant role?

A. Largo, A. Cimas, V. M. Rayón, 2012, The journal of physical chemistry. A.

Structure and stability of neutral cyanide complexes of copper and zinc

P. Redondo, C. Barrientos, A. Largo, 2011 .

Neutral cyanide complexes of iron: Structure and stability

Carmen Barrientos, P. Redondo, C. Barrientos, 2010 .

Structure and bonding in third-row main group dicarbides C2X (X=K-Br).

P. Redondo, C. Barrientos, A. Largo, 2010, The Journal of chemical physics.

A computational study of arsenic dicarbide (C2As)

P. Redondo, C. Barrientos, A. Largo, 2010 .

A theoretical study of the [FeCN]+ system: Cyanide–isocyanide competition and isomerization barrier

Carmen Barrientos, P. Redondo, C. Barrientos, 2007 .

Structure and bonding in first-row transition-metal dicarbides: are they related to the stability of met-cars?

P. Redondo, C. Barrientos, A. Largo, 2006, Chemistry.

Structure of binary titaniumcarbon ions: A theoretical study of TiC2+ and Ti2C4+

P. Redondo, C. Barrientos, A. Largo, 2006 .

Structures and stabilities of CaC3+ and CaC3H+ isomers

P. Redondo, C. Barrientos, A. Largo, 2004 .

Structure and stability of binary calcium–carbon compounds: a comparative ab initio and DFT study of CaC2

P. Redondo, C. Barrientos, A. Largo, 2003 .

Ionization and protonation of NaC3: a theoretical study

P. Redondo, C. Barrientos, A. Largo, 2003 .

Structures and stabilities of C3Cl2 and C3Cl2+ isomers: a theoretical study

P. Redondo, A. Largo, J. R. Redondo, 2003 .

Ionization and protonation of MgC3: A theoretical study

P. Redondo, C. Barrientos, A. Largo, 2002 .

Theoretical study of the structures and stabilities of NaC3 isomers

P. Redondo, C. Barrientos, A. Largo, 2001 .

Structures and stabilities of MgC3 isomers: a theoretical study

P. Redondo, C. Barrientos, A. Largo, 2001 .

Structures and energies of the chlorine-substituted analogues of C3H2: an ab initio and density functional theory comparative study

P. Redondo, A. Largo, J. R. Redondo, 2000 .

Theoretical study of AlC3: linear or cyclic ground state?

P. Redondo, C. Barrientos, A. Largo, 2000 .

Low-lying states of AlC2 and SiC2+: Competition between linear and cyclic configurations

A. Largo, J. R. Flores, 1990 .

Theoretical Study of AlC n , AlC n + , and AlC n - ( n = 1−7) Clusters

P. Redondo, C. Barrientos, A. Largo, 2002 .

Theoretical study of possible processes for the interstellar production of phosphorus compounds. Reaction of phosphorus(1+) with hydrogen sulfide

X. López, P. Redondo, C. Barrientos, 1993 .

Theoretical study of the C–F bond activation in methyl fluoride by alkaline-earth metal monocations

P. Redondo, C. Barrientos, A. Largo, 2011 .

Structure and Stability of AlC2N Isomers: A Comparative ab Initio and DFT Study

C. Barrientos, A. Largo, Á. Cimas, 2001 .

Theoretical Study of the Structures and Stabilities of Small CaCn, CaCn + , and CaCn - (n ) 1-8) Cyclic Clusters

P. Redondo, C. Barrientos, A. Largo, 2004 .

Structural Trends in Monoboronyl Compounds: Analysis of the Interaction of Second-Row Elements with BO.

P. Redondo, C. Barrientos, A. Largo, 2018, The journal of physical chemistry. A.

Cyanide complexes of Ti(IV): a computational study.

P. Redondo, C. Barrientos, A. Largo, 2009, Journal of Chemical Physics.

Polyisocyanides of titanium.

Carmen Barrientos, P. Redondo, C. Barrientos, 2009, The journal of physical chemistry. A.

Structure and Spectroscopic Insights for CH3PCO Isomers: A High-Level Quantum Chemical Study

P. Redondo, C. Barrientos, A. Largo, 2024, The journal of physical chemistry. A.

Small Carbon Clusters Doped with Vanadium Metal: A Density Functional Study of VCn (n = 1-8).

P. Redondo, C. Barrientos, A. Largo, 2006, Journal of chemical theory and computation.

Small ScCn cyclic clusters: a density functional study of their structure and stability.

P. Redondo, C. Barrientos, A. Largo, 2006, The journal of physical chemistry. A.

Small carbon clusters doped with early transition metals: a theoretical study of ScCn, ScCn+, and ScCn- (n = 1-8) open-chain clusters.

P. Redondo, C. Barrientos, A. Largo, 2005, The journal of physical chemistry. A.