Vibronic coupling in quantum wires: Applications to polydiacetylene (English)
National licence
- New search for: Yamagata, H.
- New search for: Spano, F. C.
- New search for: Yamagata, H.
- New search for: Spano, F. C.
In:
The Journal of Chemical Physics
;
135
, 5
;
12
;
2011
- Article (Journal) / Electronic Resource
-
Title:Vibronic coupling in quantum wires: Applications to polydiacetylene
-
Additional title:Vibronic coupling in quantum wires
-
Contributors:Yamagata, H. ( author ) / Spano, F. C. ( author )
-
Published in:The Journal of Chemical Physics ; 135, 5 ; 12
-
Publisher:
- New search for: American Institute of Physics
-
Publication date:2011-08-07
-
Size:12 pages
-
ISSN:
-
DOI:
-
Type of media:Article (Journal)
-
Type of material:Electronic Resource
-
Language:English
-
Keywords:
-
Source:
Table of contents – Volume 135, Issue 5
The tables of contents are generated automatically and are based on the data records of the individual contributions available in the index of the TIB portal. The display of the Tables of Contents may therefore be incomplete.
-
Perspective: The dawning of the age of grapheneFlynn, George W. et al. | 2011
-
Communication: Effective temperature and glassy dynamics of active matterWang, Shenshen / Wolynes, Peter G. et al. | 2011
-
A new internally contracted multi-reference configuration interaction methodShamasundar, K. R. / Knizia, Gerald / Werner, Hans-Joachim et al. | 2011
-
Soret motion in non-ionic binary molecular mixturesLeroyer, Yves / Würger, Alois et al. | 2011
-
Quantum optimal control for the full ensemble of randomly oriented molecules having different field-free HamiltoniansKurosaki, Yuzuru / Ichihara, Akira / Yokoyama, Keiichi et al. | 2011
-
Inherent structures for soft long-range interactions in two-dimensional many-particle systemsBatten, Robert D. / Stillinger, Frank H. / Torquato, Salvatore et al. | 2011
-
Time-dependent density functional theory excited state nonadiabatic dynamics combined with quantum mechanical/molecular mechanical approach: Photodynamics of indole in waterWohlgemuth, Matthias / Bonačić-Koutecký, Vlasta / Mitrić, Roland et al. | 2011
-
Alternative wavefunction ansatz for including explicit electron-proton correlation in the nuclear-electronic orbital approachKo, Chaehyuk / Pak, Michael V. / Swalina, Chet / Hammes-Schiffer, Sharon et al. | 2011
-
Rigorous coarse-graining for the dynamics of linear systems with applications to relaxation dynamics in proteinsSoheilifard, Reza / Makarov, Dmitrii E. / Rodin, Gregory J. et al. | 2011
-
Ab initio quantum Monte Carlo study of the binding of a positron to alkali-metal hydridesKita, Yukiumi / Maezono, Ryo / Tachikawa, Masanori / Towler, Mike D. / Needs, Richard J. et al. | 2011
-
Fractional spin in reduced density-matrix functional theoryHelbig, N. / Theodorakopoulos, G. / Lathiotakis, N. N. et al. | 2011
-
Nuclear magnetic relaxation in water revisitedHartwig, Stefan / Voigt, Jens / Scheer, Hans-Jürgen / Albrecht, Hans-Helge / Burghoff, Martin / Trahms, Lutz et al. | 2011
-
Least-squares analysis of overlapped bound-free absorption spectra and predissociation data in diatomics: The C(1Πu) state of I2Tellinghuisen, Joel et al. | 2011
-
Collision limited reaction rates for arbitrarily shaped particles across the entire diffusive Knudsen number rangeGopalakrishnan, Ranganathan / Thajudeen, Thaseem / Hogan, Christopher J. et al. | 2011
-
Full-dimensional multi configuration time dependent Hartree calculations of the ground and vibrationally excited states of He2,3Br2 clustersValdés, Álvaro / Prosmiti, Rita / Villarreal, Pablo / Delgado-Barrio, Gerardo et al. | 2011
-
Revisiting falloff curves of thermal unimolecular reactionsTroe, J. / Ushakov, V. G. et al. | 2011
-
Geometrical structure of benzene and naphthalene: Ultrahigh-resolution laser spectroscopy and ab initio calculationBaba, Masaaki / Kowaka, Yasuyuki / Nagashima, Umpei / Ishimoto, Takayoshi / Goto, Hitoshi / Nakayama, Naofumi et al. | 2011
-
Pressure and temperature dependence of dissociative and non-dissociative electron attachment to CF3: Experiments and kinetic modelingShuman, Nicholas S. / Miller, Thomas M. / Friedman, Jeffrey F. / Viggiano, Albert A. / Maergoiz, Anatol I. / Troe, Jürgen et al. | 2011
-
Experimental and theoretical studies of neutral MgmCnHx and BemCnHx clustersDong, Feng / Xie, Yan / Bernstein, Elliot R. et al. | 2011
-
Ultrafast dynamics of aniline in the 294-234 nm excitation range: The role of the πσ* stateMontero, Raúl / Conde, Álvaro Peralta / Ovejas, Virginia / Martínez, Roberto / Castaño, Fernando / Longarte, Asier et al. | 2011
-
Electronic spectroscopy of the previously unknown arsenic carbide (AsC) free radicalYang, Jie / Clouthier, Dennis J. et al. | 2011
-
Relativistic contributions to single and double core electron ionization energies of noble gasesNiskanen, J. / Norman, P. / Aksela, H. / Ågren, H. et al. | 2011
-
Energy transfer of highly vibrationally excited naphthalene: Collisions with CHF3, CF4, and KrChen Hsu, Hsu / Tsai, Ming-Tsang / Dyakov, Yuri A. / Ni, Chi-Kung et al. | 2011
-
Delocalized electronic behavior observed in transition metal oxide clusters under strong-field excitationSayres, Scott G. / Ross, Matt W. / Castleman, A. W. et al. | 2011
-
Small polaron hopping conduction mechanism in Fe doped LaMnO3Khan, Wasi / Naqvi, Alim H. / Gupta, Maneesha / Husain, Shahid / Kumar, Ravi et al. | 2011
-
A refined potential for hydroxylamine clusters and the liquid phaseGonzález-Espinoza, Alfredo / Hernández-Cobos, Jorge / Ortega-Blake, Iván et al. | 2011
-
DFT+U calculations of crystal lattice, electronic structure, and phase stability under pressure of TiO2 polymorphsArroyo-de Dompablo, M. E. / Morales-García, A. / Taravillo, M. et al. | 2011
-
Density dependence of hydrogen bonding and the translational-orientational structural order in supercritical water: A molecular dynamics studyMa, Haibo / Ma, Jing et al. | 2011
-
Ion-water clusters, bulk medium effects, and ion hydrationMerchant, Safir / Dixit, Purushottam D. / Dean, Kelsey R. / Asthagiri, D. et al. | 2011
-
Experimental and theoretical analysis of the rotational Raman spectrum of hydrogen molecules in clathrate hydratesGiannasi, Alessandra / Celli, Milva / Zoppi, Marco / Moraldi, Massimo / Ulivi, Lorenzo et al. | 2011
-
Isotropic reorientations of fullerene C70 triplet molecules in solid glassy matrices revealed by light-induced electron paramagnetic resonanceUvarov, Mikhail N. / Kulik, Leonid V. / Doktorov, Alexander B. / Dzuba, Sergei A. et al. | 2011
-
Hierarchical structure and dynamics of an ionic liquid 1-octyl-3-methylimidazolium chlorideYamamuro, Osamu / Yamada, Takeshi / Kofu, Maiko / Nakakoshi, Masamichi / Nagao, Michihiro et al. | 2011
-
Ultrafast 2D IR anisotropy of water reveals reorientation during hydrogen-bond switchingRamasesha, Krupa / Roberts, Sean T. / Nicodemus, Rebecca A. / Mandal, Aritra / Tokmakoff, Andrei et al. | 2011
-
Optimization of linear and branched alkane interactions with water to simulate hydrophobic hydrationAshbaugh, Henry S. / Liu, Lixin / Surampudi, Lalitanand N. et al. | 2011
-
Structural behaviour of alkaline sulfides under compression: High-pressure experimental study on Cs2SSantamaría-Pérez, D. / Vegas, A. / Muehle, C. / Jansen, M. et al. | 2011
-
Cavitation and crystallization in a metastable Lennard-Jones liquid at negative pressures and low temperaturesBaidakov, Vladimir G. / Bobrov, Konstantin S. / Teterin, Aleksey S. et al. | 2011
-
Fourier transform infrared matrix and density functional theory study of the vibrational spectrum of the linear MgC3- anionBejjani, Micheline / Rittby, C. M. L. / Graham, W. R. M. et al. | 2011
-
How close to two dimensions does a Lennard-Jones system need to be to produce a hexatic phase?Gribova, Nadezhda / Arnold, Axel / Schilling, Tanja / Holm, Christian et al. | 2011
-
Entropic effects in the electric double layer of model colloids with size-asymmetric monovalent ionsGuerrero-García, Guillermo Iván / González-Tovar, Enrique / Olvera de la Cruz, Mónica et al. | 2011
-
Dewetting growth of crystalline water ice on a hydrogen saturated Rh(111) surface at 135 KBeniya, Atsushi / Koitaya, Takanori / Mukai, Kozo / Yoshimoto, Shinya / Yoshinobu, Jun et al. | 2011
-
Unusual mechanism of capillary condensation in pores modified with chains forming pillarsBorówko, M. / Patrykiejew, A. / Sokołowski, S. et al. | 2011
-
Molecular dynamics study of nanoparticle stability at liquid interfaces: Effect of nanoparticle-solvent interaction and capillary wavesCheung, David L. et al. | 2011
-
Atomic imaging of nucleation of trimethylaluminum on clean and H2O functionalized Ge(100) surfacesLee, Joon Sung / Kaufman-Osborn, Tobin / Melitz, Wilhelm / Lee, Sangyeob / Delabie, Annelies / Sioncke, Sonja / Caymax, Matty / Pourtois, Geoffrey / Kummel, Andrew C. et al. | 2011
-
High resolution photoemission and x-ray absorption spectroscopy of a lepidocrocite-like TiO2 nanosheet on Pt(110) (1 × 2)Walle, L. E. / Agnoli, S. / Svenum, I.-H. / Borg, A. / Artiglia, L. / Krüger, P. / Sandell, A. / Granozzi, G. et al. | 2011
-
Slow dynamics of the high density Gaussian core modelIkeda, Atsushi / Miyazaki, Kunimasa et al. | 2011
-
The molecular kink paradigm for rubber elasticity: Numerical simulations of explicit polyisoprene networks at low to moderate tensile strainsHanson, David E. et al. | 2011
-
Density functional theory for rod-coil polymers with different size segmentsJiang, Jian / Xu, Xiaofei / Huang, Jinyang / Cao, Dapeng et al. | 2011
-
Effective static and high-frequency viscosities of concentrated suspensions of soft particlesMendoza, Carlos I. et al. | 2011
-
Colloidal rotation near the colloidal glass transitionKim, Minsu / Anthony, Stephen M. / Bae, Sung Chul / Granick, Steve et al. | 2011
-
Vibronic coupling in quantum wires: Applications to polydiacetyleneYamagata, H. / Spano, F. C. et al. | 2011
-
Energy maps, side chain conformational flexibility, and vibrational features of polar amino acids L-serine and L-threonine in aqueous environmentHernández, Belén / Pflüger, Fernando / Adenier, Alain / Nsangou, Mama / Kruglik, Sergei G. / Ghomi, Mahmoud et al. | 2011
-
An effective continuum approach for modeling non-equilibrium structural evolution of protein nanofiber networksCheng, Liang / Englander, Ongi / Paravastu, Anant / Oates, William S. et al. | 2011
-
Numerical and theoretical study on the mechanism of biopolymer translocation process through a nano-poreAlapati, Suresh / Fernandes, Dolfred Vijay / Suh, Yong Kweon et al. | 2011
-
Adapting Poisson-Boltzmann to the self-consistent mean field theory: Application to protein side-chain modelingKoehl, Patrice / Orland, Henri / Delarue, Marc et al. | 2011
-
First order melting transitions of highly ordered dipalmitoyl phosphatidylcholine gel phase membranes in molecular dynamics simulations with atomistic detailSchubert, Thomas / Schneck, Emanuel / Tanaka, Motomu et al. | 2011
-
Two-dimensional infrared spectroscopy of azido-nicotinamide adenine dinucleotide in waterDutta, Samrat / Rock, William / Cook, Richard J. / Kohen, Amnon / Cheatum, Christopher M. et al. | 2011
-
Robustness of multidimensional Brownian ratchets as directed transport mechanismsGonzález-Candela, Ernesto / Romero-Rochín, Víctor / Del Río, Fernando et al. | 2011
-
Erratum: “A molecular theory for two-photon and three-photon fluorescence polarization’’ [Leeder, J. M. / Andrews, D. L. et al. | 2011