Á. Cimas

发表

Charged titanium-doped carbon clusters: Structures and energetics

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

Conformational Behavior of d-Lyxose in Gas and Solution Phases by Rotational and NMR Spectroscopies.

J. Jiménez-Barbero, A. Lesarri, A. Cimas, 2019, The journal of physical chemistry letters.

Six pyranoside forms of free 2-deoxy-D-ribose.

J. A. Fernández, J. López, F. Castaño, 2013, Angewandte Chemie.

Structure of small TiCn clusters: A theoretical study

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

Experimental and computational thermodynamic study of three monofluoronitrobenzene isomers.

J. A. Oliveira, M. Ribeiro da Silva, M. J. Monte, 2010, The journal of physical chemistry. B.

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.

Free fructose is conformationally locked.

J. A. Fernández, B. G. Davis, F. Castaño, 2013, Journal of the American Chemical Society.

Spin-state changes and reactivity in transition metal chemistry: Reactivity of iron tetracarbonyl

J. Harvey, M. Besora, A. Cimas, 2010 .

Reactivity of lanthanoid mono-cations with ammonia: A combined inductively coupled plasma mass spectrometry and computational investigation

L. Gagliardi, R. Brennetot, J. Tortajada, 2013 .

O-H anharmonic vibrational motions in Cl(-)···(CH3OH)(1-2) ionic clusters. Combined IRPD experiments and AIMD simulations.

J. Lisy, A. Cimas, M. Gaigeot, 2014, Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy.

Salt Bridge Structure of Microhydrated Arginine Kinetically Trapped in the Gas Phase by Evaporative Cooling.

M. Gaigeot, O. Boyarkin, A. Zviagin, 2023, The journal of physical chemistry. A.

Vibrational Spectra of Small Protonated Peptides from Finite Temperature MD Simulations and IRMPD Spectroscopy.

T. Vaden, A. Cimas, M. Gaigeot, 2009, Journal of chemical theory and computation.

Experimental and computational study of the energetics of hydantoin and 2-thiohydantoin

Ana L. R. Silva, M. D. R. D. Silva, M. J. Monte, 2013 .

Energetic study of benzothiazole and two methylbenzothiazole derivatives: Calorimetric and computational approaches

Ana L. R. Silva, M. D. R. D. Silva, A. Cimas, 2014 .

Gas-phase peptide structures unraveled by far-IR spectroscopy: combining IR-UV ion-dip experiments with Born-Oppenheimer molecular dynamics simulations.

J. Oomens, A. Rijs, A. Cimas, 2014, Angewandte Chemie.

Molecular Dynamics and Room Temperature Vibrational Properties of Deprotonated Phosphorylated Serine.

P. Maître, G. Ohanessian, A. Cimas, 2009, Journal of chemical theory and computation.

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

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

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

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

How Can f-Block Monocations Behave as Monocations of d-Block Transition Metals?

R. Brennetot, J. Tortajada, J. Salpin, 2012 .

Structure and stability of BC2P isomers: a theoretical study

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

DFT-MD and vibrational anharmonicities of a phosphorylated amino acid. Success and failure.

A. Cimas, M. Gaigeot, Á. Cimas, 2010, Physical chemistry chemical physics : PCCP.

Hydrogen bonding in electronically excited states: a comparison between formic acid dimer and its mono-substituted thioderivatives.

M. Yáñez, N. Martín, O. Mó, 2010, Physical chemistry chemical physics : PCCP.

The amorphous silica–liquid water interface studied by ab initio molecular dynamics (AIMD): local organization in global disorder

D. Costa, M. Sulpizi, A. Cimas, 2014, Journal of physics. Condensed matter : an Institute of Physics journal.

Spectrochimica Acta Part A : Molecular and Biomolecular Spectroscopy

J. Lisy, M. Gaigeot, Jordan P. Beck, 2015 .

Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy

Y. Mabkhot, H. Fun, J. Lisy, 2014 .

Proton transfer from the inactive gas-phase nicotine structure to the bioactive aqueous-phase structure.

Marie-Pierre Gaigeot, Sungyul Lee, Mahamadou Seydou, 2010, Journal of the American Chemical Society.

Calorimetric and computational study of the thermochemistry of phenoxyphenols.

M. Ribeiro da Silva, A. Cimas, Ana I M C Lobo Ferreira, 2011, The Journal of organic chemistry.

Experimental and computational thermochemical studies of benzoxazole and two chlorobenzoxadole derivatives

Ana L. R. Silva, M. D. R. D. Silva, A. Cimas, 2013 .

Experimental and computational study on the molecular energetics of benzyloxyphenol isomers

M. R. D. Silva, Ana Ferreira, A. Cimas, 2011 .

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.

MS-CASPT2 study of the low-lying electronic excited states of di-thiosubstituted formic acid dimers

M. Yáñez, O. Mó, I. Corral, 2013, Theoretical Chemistry Accounts.

Thermochemistry of 2-methylbenzoxazole and 2,5-dimethylbenzoxazole: an experimental and computational study

Ana L. R. Silva, A. Cimas, M. D. Ribeiro da Silva, 2013, Structural Chemistry.

Collision induced dissociation of doubly-charged ions: Coulomb explosion vs. neutral loss in [Ca(urea)]2+ gas phase unimolecular reactivity via chemical dynamics simulations.

K. Song, W. Hase, J. Salpin, 2012, Physical chemistry chemical physics : PCCP.