Ultrafast spectroscopy of linear carbon chains: the case of dinaphthylpolyynes

Spectrum simulation and decomposition with nuclear ensemble: formal derivation and application to benzene, furan and 2-phenylfuran

(2012) Rachel Crespo-Otero et al.   THEORETICAL CHEMISTRY ACCOUNTS

Electronically excited states and photodynamics: a continuing challenge

(2012) Felix Plasser et al.   THEORETICAL CHEMISTRY ACCOUNTS

Tracking Ultrafast Energy Flow in Molecules Using Broadly Tunable Few-Optical-Cycle Pulses

(2011) Daniele Brida et al.   IEEE JOURNAL OF SELECTED TOPICS IN QUANTUM ELECTRONICS

Photogenerated cumulenic structure of adamantyl endcapped linear carbon chains: An experimental and computational investigation based on infrared spectroscopy

(2011) Melike Mercan Yildizhan et al.   JOURNAL OF CHEMICAL PHYSICS

Vibrational characterization of dinaphthylpolyynes: A model system for the study of end-capped sp carbon chains

(2011) Eugenio Cinquanta et al.   JOURNAL OF CHEMICAL PHYSICS

Charge Transfer and Vibrational Structure of sp-Hybridized Carbon Atomic Wires Probed by Surface Enhanced Raman Spectroscopy

(2011) A. Milani et al.   Journal of Physical Chemistry C

Modulation of Electronic Couplings within Ru2–Polyyne Frameworks

(2011) Bin Xi et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Nonadiabatic dynamics with trajectory surface hopping method

(2011) Mario Barbatti   Wiley Interdisciplinary Reviews-Computational Molecular Science

Molecular Wires in Single-Molecule Junctions: Charge Transport and Vibrational Excitations

(2010) Stefan Ballmann et al.   CHEMPHYSCHEM

Biradicaloid Character of Thiophene-Based Heterophenoquinones: The Role of Electron-Phonon Coupling

(2010) Daniele Fazzi et al.   CHEMPHYSCHEM

Synthesis, Characterization, and Modeling of Naphthyl-Terminated sp Carbon Chains: Dinaphthylpolyynes

(2010) Franco Cataldo et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Synthesis of polyynes to model the sp-carbon allotrope carbyne

(2010) Wesley A. Chalifoux et al.   Nature Chemistry

Toward carbyne: Synthesis and stability of really long polyynes

(2010) Rik R. Tykwinski et al.   PURE AND APPLIED CHEMISTRY

tert-Butyl-End-Capped Polyynes: Crystallographic Evidence of Reduced Bond-Length Alternation

(2009) Wesley A. Chalifoux et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Synthesis and Structural Analysis of One-Dimensional sp-Hybridized Carbon Chain Molecules

(2009) Sanghee Kim   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

POLYYNES AND INTERSTELLAR CARBON NANOPARTICLES

(2009) W. W. Duley et al.   ASTROPHYSICAL JOURNAL

Preparation of polyynes up to C22H2 by liquid-phase laser ablation and their immobilization into SiO2 gel

(2009) Ryutaro Matsutani et al.   CARBON

Fully Integrated Approach to Compute Vibrationally Resolved Optical Spectra: From Small Molecules to Macrosystems

(2009) Vincenzo Barone et al.   Journal of Chemical Theory and Computation

Tuning Fluorescence Lifetimes through Changes in Herzberg−Teller Activities: The Case of Triphenylene and Its Hexamethoxy-Substituted Derivative

(2009) Eugenio Di Donato et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Connection among Raman wavenumbers, bond length alternation and energy gap in polyynes

(2009) Alberto Milani et al.   JOURNAL OF RAMAN SPECTROSCOPY

Evidence for Solution-State Nonlinearity of sp-Carbon Chains Based on IR and Raman Spectroscopy: Violation of Mutual Exclusion

(2009) Andrea Lucotti et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Effect of Axial Torsion onspCarbon Atomic Wires

(2009) Luca Ravagnan et al.   PHYSICAL REVIEW LETTERS

Synthesis of extended polyynes: Toward carbyne

(2008) Wesley A. Chalifoux et al.   COMPTES RENDUS CHIMIE

Cubic Nonlinear Optical Properties of Platinum-Terminated Polyynediyl Chains

(2008) Marek Samoc et al.   INORGANIC CHEMISTRY

Effective method for the computation of optical spectra of large molecules at finite temperature including the Duschinsky and Herzberg–Teller effect: The Qx band of porphyrin as a case study

(2008) Fabrizio Santoro et al.   JOURNAL OF CHEMICAL PHYSICS

Carbynes phonons: A tight binding force field

(2008) Alberto Milani et al.   JOURNAL OF CHEMICAL PHYSICS

Nonadiabatic excited-state dynamics of polar π-systems and related model compounds of biological relevance

(2008) Mario Barbatti et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Energetics of linear carbon chains in one-dimensional restricted environment

(2008) Miklos Kertesz et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Low-frequency modes in the Raman spectrum ofsp−sp2nanostructured carbon

(2008) C. S. Casari et al.   PHYSICAL REVIEW B

Linear CnClusters:  Are They Acetylenic or Cumulenic?

(2007) Shujiang Yang et al.   JOURNAL OF PHYSICAL CHEMISTRY A

First-principles calculation of the Peierls distortion in an infinite linear carbon chain: the contribution of Raman spectroscopy

(2007) Alberto Milani et al.   JOURNAL OF RAMAN SPECTROSCOPY

Modeling phonons of carbon nanowires

(2007) Matteo Tommasini et al.   PHYSICA E-LOW-DIMENSIONAL SYSTEMS & NANOSTRUCTURES