相关参考文献
注意：仅列出部分参考文献，下载原文获取全部文献信息。The role of magnetic-electric coupling in exciton-coupled ECD spectra: the case of bis-phenanthrenes
Sandro Jurinovich et al.
CHEMICAL COMMUNICATIONS (2015)
DNA Electronic Circular Dichroism on the Inter-Base Pair Scale: An Experimental Theoretical Case Study of the AT Homo-Oligonucleotide
Florent Di Meo et al.
JOURNAL OF PHYSICAL CHEMISTRY LETTERS (2015)
Predicting near-UV electronic circular dichroism in nucleosomal DNA by means of DFT response theory
Patrick Norman et al.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2015)
Towards an ab initio description of the optical spectra of light-harvesting antennae: application to the CP29 complex of photosystem II
Sandro Jurinovich et al.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2015)
Limits and potentials of quantum chemical methods in modelling photosynthetic antennae
Sandro Jurinovich et al.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2015)
Modeling DNA electronic circular dichroism by QM/MM methods and Frenkel Hamiltonian
Hugo Gattuso et al.
THEORETICAL CHEMISTRY ACCOUNTS (2015)
Theory and Calculation for the Electronic Coupling in Exciation Energy Transfer
Zhi-Qiang You et al.
INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY (2014)
Geometry Optimization in Polarizable QM/MM Models: The Induced Dipole Formulation
Stefano Caprasecca et al.
JOURNAL OF CHEMICAL THEORY AND COMPUTATION (2014)
Relative Stability of the La and Lb Excited States in Adenine and Guanine: Direct Evidence from TD-DFT Calculations of MCD Spectra
Fabrizio Santoro et al.
JOURNAL OF PHYSICAL CHEMISTRY LETTERS (2014)
A TDDFT/MMPol/PCM model for the simulation of exciton-coupled circular dichroism spectra
Sandro Jurinovich et al.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2014)
SpecDis: Quantifying the Comparison of Calculated and Experimental Electronic Circular Dichroism Spectra
Torsten Bruhn et al.
CHIRALITY (2013)
TD-DFT benchmarks: A review
Adele D. Laurent et al.
INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY (2013)
Refined structure-based simulation of plant light-harvesting complex II: Linear optical spectra of trimers and aggregates
Frank Mueh et al.
BIOCHIMICA ET BIOPHYSICA ACTA-BIOENERGETICS (2012)
Benchmark Studies on the Building Blocks of DNA. 2. Effect of Biological Environment on the Electronic Excitation Spectrum of Nucleobases
Peter G. Szalay et al.
JOURNAL OF PHYSICAL CHEMISTRY A (2012)
Effect of Structural Dynamics and Base Pair Sequence on the Nature of Excited States in DNA Hairpins
Sameer Patwardhan et al.
JOURNAL OF PHYSICAL CHEMISTRY B (2012)
Theory of excitonic couplings in dielectric media Foundation of Poisson-TrEsp method and application to photosystem I trimers
Thomas Renger et al.
PHOTOSYNTHESIS RESEARCH (2012)
Topological Characterization of Nucleic Acid G-Quadruplexes by UV Absorption and Circular Dichroism
Andreas Ioannis Karsisiotis et al.
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION (2011)
Development of Polarizable Models for Molecular Mechanical Calculations I: Parameterization of Atomic Polarizability
Junmei Wang et al.
JOURNAL OF PHYSICAL CHEMISTRY B (2011)
High-resolution NMR structure of an RNA model system: the 14-mer cUUCGg tetraloop hairpin RNA
Senada Nozinovic et al.
NUCLEIC ACIDS RESEARCH (2010)
A non-empirical chromophoric interpretation of CD spectra of DNA G-quadruplex structures
Stefano Masiero et al.
ORGANIC & BIOMOLECULAR CHEMISTRY (2010)
Classification of nucleic acids structures by means of the chemometric analysis of circular dichroism spectra
Joaquim Jaumot et al.
ANALYTICA CHIMICA ACTA (2009)
Fretting about FRET: Failure of the Ideal Dipole Approximation
Aurora Munoz-Losa et al.
BIOPHYSICAL JOURNAL (2009)
Electronic Energy Transfer in Condensed Phase Studied by a Polarizable QM/MM Model
Caries Curutchet et al.
JOURNAL OF CHEMICAL THEORY AND COMPUTATION (2009)
Circular dichroism and conformational polymorphism of DNA
Jaroslav Kypr et al.
NUCLEIC ACIDS RESEARCH (2009)
6-thioguanine in DNA as CD-spectroscopic probe to study local structural changes upon protein binding
Rudolf Repges et al.
CHIRALITY (2008)
Measured and calculated CD spectra of G-quartets stacked with the same or opposite polarities
Donald M. Gray et al.
CHIRALITY (2008)
The M06 suite of density functionals for main group thermochemistry, thermochemical kinetics, noncovalent interactions, excited states, and transition elements: two new functionals and systematic testing of four M06-class functionals and 12 other functionals
Yan Zhao et al.
THEORETICAL CHEMISTRY ACCOUNTS (2008)
A new modified thrombin binding aptamer containing a 5′-5′ inversion of polarity site
Luigi Martino et al.
NUCLEIC ACIDS RESEARCH (2006)
Quadruplex DNA: sequence, topology and structure
Sarah Burge et al.
NUCLEIC ACIDS RESEARCH (2006)
Dipolar coupling between electronic transitions of the DNA bases and its relevance to exciton states in double helices
B Bouvier et al.
CHEMICAL PHYSICS (2002)
Molecular mechanical models for organic and biological systems going beyond the atom centered two body additive approximation: Aqueous solution free energies of methanol and N-methyl acetamide, nucleic acid base, and amide hydrogen bonding and chloroform/water partition coefficients of the nucleic acid bases
P Cieplak et al.
JOURNAL OF COMPUTATIONAL CHEMISTRY (2001)
分享论文
