Complete report - Donostia International Physics Center - Euskal ...

Unravelling phenomenon of internal rotation in B 13 + through chemical bonding analysis.
Martínez-Guajardo G, Sergeeva AP, Boldyrev AI, Heine T, Ugalde JM and Merino G.
Chemical Communications, 47, 6242 (2011).
Matrix Infrared Spectroscopy and a Theoretical Investigation of SUO and US(2).
Andrews L, Wang XF, Liang BY, Ruiperez F, Infante I, Raw AD, and Ibers, JA.
European Journal of Inorganic Chemistry 28, 4457 (2011).
2011
Time-dependent density-functional and reduced density-matrix methods for few electrons:
Exact versus adiabatic approximations.
Helbig N, Fuks JI, Tokatly IV, Appel H, Gross EKU, and Rubio, A.
Chemical Physics 391, 1 (2011).
Assessment of dressed time-dependent density-functional theory for the low-lying valence states of
28 organic chromophores.
Huix-Rotllant M, Ipatov A, Rubio A, and Casida ME.
Chemical Physics 391, 120 (2011).
Rotational dynamics of propylene in ZSM-5 zeolitic frameworks.
Gautam S, Sharma VK, Mitra S, Chaplot SL, and Mukhopadhyay R.
Chemical Physics Letters 501, 345 (2011).
What Is the Covalency of Hydrogen Bonding?
Grabowski SJ.
Chemical Reviews 111, 2597 (2011).
On the nature of actinide- and lanthanide-metal bonds in heterobimetallic compounds.
Vlaisavljevich B, Miro P, Cramer CJ, Gagliardi L, Infante I, and Liddle ST.
Chemistry-A European Journal 17, 8424 (2911).
Broadband dielectric spectroscopic, calorimetric, and FTIR-ATR investigations of D-arabinose aqueous solutions.
Singh LP, Cerveny S, Alegria A, and Colmenero J.
Chemphyschem 12, 3624 (2011).
Diradicals and diradicaloids in natural orbital functional theory.
Lopez X, Ruiperez F, Piris M, Matxain JM, and Ugalde JM.
Chemphyschem 12, 1061 (2011).
Natural orbital functional theory and reactivity studies of diradical rearrangements: ethylene torsion
as a case study.
Lopez X, Piris M, Matxain JM, Ruiperez F, and Ugalde JM.
Chemphyschem 12, 1673 (2011).
Octree-based, GPU implementation of a continuous cellular automaton for the simulation of
complex, evolving surfaces.
Ferrando N, Gosalvez MA, Cerda J, Gadea R, and Sato K.
Computer Physics Communitations 182, 628 (2011).
Exotic high pressure behavior of light alkali metals, lithium and sodium.
Rousseau B, Xie Y, Ma Y, and Bergara A.
European Physicsl Journal B 81, 1 (2011).
Anharmonicity in aluminum hydride at high pressures.
Rousseau B, and Bergara A.
High Pressure Research 31, 30 (2011).
Enhancement of the luminescent properties of a new red-emitting phosphor, Mn(2)(HPO(3))F(2),
by Zn substitution.
Orive J, Mesa JL, Balda R, Fernandez J, Fernandez JR, Rojo T, and Arriortua MI.
Inorganic Chemistry 50, 12463 (2011).
Electronic structure and bonding in heteronuclear dimers of V, Cr, Mo, and W: a CASSCF/CASPT2 study.
Ruiperez F, Ugalde JM, and Infante I.
Inorganic Chemistry 50, 9219 (2011).
Model for a biexciton in a lateral quantum dot based on exact solutions for the Hookean H 2 molecule.
I. Theoretical aspects.
Ludeña EV, Echevarria L, Ugalde JM, Lopez X, Corella-Madueño A.
Int. J. Quantum Chem. 111, 1808 (2011).
A composite fermion approach to the ultracold dilute Fermi gas.
Cazalilla MA.
International Journal of Modern Physics B 25, 329 (2011).
On the origin of two-dimensional electron gas states at the surface of topological insulators.
Menshchikova TV, Eremeev SV, and Chulkov EV.
Jetp Letters 94, 106 (2011).
Ternary compounds based on binary topological insulators as an efficient way for modifying the Dirac cone.
Menshchikova TV, Eremeev SV, Koroteev YM, Kuznetsov VM, and Chulkov EV.
Jetp Letters 93, 298 (2011).
Three- and two-dimensional topological insulators in Pb(2)Sb(2)Te(5), Pb(2)Bi(2)Te(5), and
Pb(2)Bi(2)Se(5) layered compounds.
Silkin IV, Koroteev YM, Eremeev SV, Bihlmayer G, and Chulkov EV.
Jetp Letters 94, 217 (2011).
A half-step in quantized conductance for low-density electrons in a quantum wire.
Gumbs G, Balassis A, Huang D, Ahmed S, and Brennan R.
Journal of Applied Physics 110 073709 (2011).
2011
Surface assembly of porphyrin nanorods with one-dimensional zinc-oxygen spinal cords.
Trelka M, Urban C, Rogero C, de Mendoza P, Mateo-Marti E, Wang Y, Silanes I, Ecija D, Alcami M,
Yndurain F, Arnau A, Martin F, Echavarren AM, Martin-Gago JA, Gallego JM, Otero R, and Miranda R.
CrystEngComm 13, 5591 (2011).
From caging to Rouse dynamics in polymer melts with intramolecular barriers: A critical test of the
mode coupling theory.
Bernabei M, Moreno AJ, Zaccarelli E, Sciortino F, and Colmenero J.
Journal of Chemical Physics 134, 024523 (2011).
Electron delocalization in organic chemistry.
Matito E, and Solà M.
Current Organic Chemistry 15, 3554 (2011).
Effect of hydration on the dielectric properties of C-S-H gel.
Cerveny S, Arrese-Igor S, Dolado JS, Gaitero JJ, Alegria A, and Colmenero J.
Journal of Chemical Physics 134, 034509 (2011).
100 DIPC 10/11
DIPC 10/11 101