P. Redondo

发表

Hydroaluminum Isocyanide Isomers: Prediction of Spectroscopic Properties

P. Redondo, M. Sanz‐Novo, C. Barrientos, 2022, The Astrophysical Journal.

Structures and stabilities of charged cobalt-doped carbon clusters

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

Formation of Protonated Glycine Isomers in the Interstellar Medium

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

Molecular basis of xeroderma pigmentosum group C DNA recognition by engineered meganucleases

Andreu Alibés, Francois Stricher, Luis Serrano, 2008, Nature.

Structure and Non-Structure of Centrosomal Proteins

I. Vernos, R. Méndez-Giráldez, U. Bastolla, 2013, PloS one.

Molecular basis of Tousled-Like Kinase 2 activation

J. Olsen, G. Montoya, I. Pozdnyakova, 2018, Nature Communications.

Charged FeCn clusters: A comparison with TMCn+/TMCn- (TM = Sc, Ti, V, Co and Zn, n = 1–8) systems

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

Charged titanium-doped carbon clusters: Structures and energetics

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

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 .

Computation of second-order correlation energies using a finite element method for atoms with d electrons

P. Redondo, J. R. Flores, 1993 .

Accurate second-order correlation energies for Mg and Ar

P. Redondo, J. R. Flores, 1993 .

Structural and mechanistic insights into mechanoactivation of focal adhesion kinase

Lukas F. Milles, H. Gaub, Davide Mercadante, 2019, Proceedings of the National Academy of Sciences.

The C-terminal loop of the homing endonuclease I-CreI is essential for site recognition, DNA binding and cleavage

G. Montoya, F. Blanco, J. Epinat, 2007, Nucleic acids research.

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.

Understanding the indirect DNA read-out specificity of I-CreI Meganuclease

G. Montoya, M. D’Abramo, R. Molina, 2018, Scientific Reports.

A theoretical study of the reaction of Si+ with ammonia

P. Redondo, J. R. Flores, S. Azpeleta, 1995 .

A theoretical study of the reaction of P+ with water: Potential energy surfaces and reaction dynamics

P. Redondo, J. R. Flores, 1994 .

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

P. Redondo, A. Largo, 1992 .

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.

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.

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

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

Small iron doped carbon clusters: a comparison with early and late first-row transition metal doped clusters.

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

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 .

Crystal Structure of the Homing Endonuclease I-CvuI Provides a New Template for Genome Modification*

G. Montoya, R. Molina, F. Blanco, 2015, The Journal of Biological Chemistry.

Crystal structure of the homing endonuclease I-CvuI provides a new template for genome modification

G. Montoya, R. Molina, F. Blanco, 2015 .

Crystallization and preliminary X-ray diffraction analysis of the homing endonuclease I-CvuI from Chlorella vulgaris in complex with its target DNA.

G. Montoya, R. Molina, F. Blanco, 2014, Acta crystallographica. Section F, Structural biology communications.

A comparative study of the DR reactions of c-C3H+3 and l-C3H+3: Preliminary theoretical studies

A. P. Hickman, P. Redondo, D. Talbi, 2009 .

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

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

Structural and electronic properties of ZnCn+/- clusters

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

Multiple solutions of unrestricted Hartree‐Fock equations: The SNH+ radical as an example

P. Redondo, J. R. Flores, J. Largo-cabrerizo, 1989 .

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 .

Structure of small TiCn clusters: A theoretical study

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

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

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

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 .

A THEORETICAL STUDY OF THE DYNAMICS OF THE REACTION OF P+ WITH AMMONIA

P. Redondo, J. R. Flores, 1997 .

Theoretical Study of the Rotational Structure of the c4′1Σu + (6)–X1Σg +(0–9) Absorption Bands of N2

A. M. Velasco, J. Alonso, P. Redondo, 2021, The Astrophysical Journal.

Toward the limits of complexity of interstellar chemistry: Rotational spectroscopy and astronomical search for n- and i-butanal

K. Menten, A. Belloche, R. Garrod, 2022, Astronomy & Astrophysics.

Theoretical survey of the NH+CH3 potential energy surface in relation to Titan atmospheric chemistry

P. Redondo, P. Redondo, Francoise Pauzat, 2006 .

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.

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.

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 .

A combinatorial approach to create artificial homing endonucleases cleaving chosen sequences

P. Duchateau, G. Montoya, J. Bravo, 2006, Nucleic acids research.

Efficient targeting of a SCID gene by an engineered single-chain homing endonuclease

Maider Villate, Fayza Daboussi, Frédéric Pâques, 2009, Nucleic acids research.

Structural basis of Focal Adhesion Kinase activation on lipid membranes

H. Stahlberg, F. Gräter, N. Biyani, 2020, The EMBO journal.

5′-Cytosine-Phosphoguanine (CpG) Methylation Impacts the Activity of Natural and Engineered Meganucleases

F. Daboussi, Sophie Leduc, P. Duchateau, 2012, The Journal of Biological Chemistry.

Molecular basis of engineered meganuclease targeting of the endogenous human RAG1 locus

François Stricher, Guillermo Montoya, Francisco J. Blanco, 2010, Nucleic Acids Res..

Generation and Analysis of Mesophilic Variants of the Thermostable Archaeal I-DmoI Homing Endonuclease*

G. Montoya, F. Blanco, J. Epinat, 2008, Journal of Biological Chemistry.

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.

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 .

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.

Visualizing phosphodiester-bond hydrolysis by an endonuclease

M. Orozco, S. Stella, G. Montoya, 2014, Nature Structural &Molecular Biology.

Crystallization and preliminary X-ray diffraction analysis on the homing endonuclease I-Dmo-I in complex with its target DNA.

G. Montoya, F. Blanco, P. Redondo, 2007, Acta crystallographica. Section F, Structural biology and crystallization communications.

Revisiting the OH + H2 → H2O + H reaction at the molecular level: the plausible catalytic role of ice in its own reconstruction

P. Redondo, Y. Ellinger, A. Markovits, 2021, Astronomy & Astrophysics.

Reconstruction of water ice: the neglected process OH + OH → H2O + O

P. Redondo, F. Pauzat, Y. Ellinger, 2020, Astronomy & Astrophysics.

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.

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 .

High‐precision atomic computations from finite element techniques: Second‐order correlation energies for Be, Ca, Sr, Cd, Ba, Yb, and Hg

Jesús R. Flores, P. Redondo, P. Redondo, 1994, J. Comput. Chem..

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 .

Non-specific protein–DNA interactions control I-CreI target binding and cleavage

S. Stella, G. Montoya, F. Gervasio, 2012, Nucleic acids research.

Crystal structure of I-DmoI in complex with its target DNA provides new insights into meganuclease engineering

P. Duchateau, L. Serrano, Andreu Alibés, 2008, Proceedings of the National Academy of Sciences.

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

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

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 .

Structure of the I-SceI nuclease complexed with its dsDNA target and three catalytic metal ions.

G. Montoya, R. Molina, F. Blanco, 2016, Acta crystallographica. Section F, Structural biology communications.

Molecular basis of Tousled-Like Kinase 2 activation

J. Olsen, G. Montoya, I. Pozdnyakova, 2018, Nature Communications.

Purification, crystallization and preliminary X-ray diffraction analysis of the kinase domain of human tousled-like kinase 2

G. Montoya, I. Muñoz, P. Redondo, 2014, Acta crystallographica. Section F, Structural biology communications.

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.

Understanding the indirect DNA read-out specificity of I-CreI Meganuclease

G. Montoya, M. D’Abramo, R. Molina, 2018, Scientific Reports.

Engineering a Nickase on the Homing Endonuclease I-DmoI Scaffold*

G. Montoya, M. D’Abramo, R. Molina, 2015, The Journal of Biological Chemistry.

Crystallization and preliminary X-ray diffraction analysis of the dimerization domain of the tumour suppressor ING4.

G. Montoya, I. Muñoz, F. Blanco, 2010, Acta crystallographica. Section F, Structural biology and crystallization communications.

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.

CN and CCH azirine derivatives, possible precursors of prebiotic molecules: Formation and spectroscopic parameters

P. Redondo, C. Barrientos, M. Sanz-Novo, 2023, Monthly Notices of the Royal Astronomical Society.

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.