Quantum-Chemical Insights into the Self-Assembly of Carbon-Based Supramolecular Complexes
Published 2018 View Full Article
- Home
- Publications
- Publication Search
- Publication Details
Title
Quantum-Chemical Insights into the Self-Assembly of Carbon-Based Supramolecular Complexes
Authors
Keywords
-
Journal
MOLECULES
Volume 23, Issue 1, Pages 118
Publisher
MDPI AG
Online
2018-01-09
DOI
10.3390/molecules23010118
References
Ask authors/readers for more resources
Related references
Note: Only part of the references are listed.- A Robust and Accurate Tight-Binding Quantum Chemical Method for Structures, Vibrational Frequencies, and Noncovalent Interactions of Large Molecular Systems Parametrized for All spd-Block Elements (Z = 1–86)
- (2017) Stefan Grimme et al. Journal of Chemical Theory and Computation
- DLPNO-CCSD(T) scaled methods for the accurate treatment of large supramolecular complexes
- (2017) Joaquín Calbo et al. JOURNAL OF COMPUTATIONAL CHEMISTRY
- Multivalent Glycosylated Nanostructures To Inhibit Ebola Virus Infection
- (2017) Beatriz M. Illescas et al. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
- Nanomaterials for stimulating nerve growth
- (2017) Silvia Marchesan et al. SCIENCE
- The divide-expand-consolidate coupled cluster scheme
- (2017) Thomas Kjaergaard et al. Wiley Interdisciplinary Reviews-Computational Molecular Science
- Graphene Improves the Biocompatibility of Polyacrylamide Hydrogels: 3D Polymeric Scaffolds for Neuronal Growth
- (2017) Cristina Martín et al. Scientific Reports
- Supramolecular Approaches to Graphene: From Self-Assembly to Molecule-Assisted Liquid-Phase Exfoliation
- (2016) Artur Ciesielski et al. ADVANCED MATERIALS
- Neutral versus polycationic coordination cages: a comparison regarding neutral guest inclusion
- (2016) György Szalóki et al. CHEMICAL COMMUNICATIONS
- Dispersion-Corrected Mean-Field Electronic Structure Methods
- (2016) Stefan Grimme et al. CHEMICAL REVIEWS
- Semiempirical Quantum Mechanical Methods for Noncovalent Interactions for Chemical and Biochemical Applications
- (2016) Anders S. Christensen et al. CHEMICAL REVIEWS
- Metallosupramolecular receptors for fullerene binding and release
- (2016) Cristina García-Simón et al. CHEMICAL SOCIETY REVIEWS
- Three pillars for achieving quantum mechanical molecular dynamics simulations of huge systems: Divide-and-conquer, density-functional tight-binding, and massively parallel computation
- (2016) Hiroaki Nishizawa et al. JOURNAL OF COMPUTATIONAL CHEMISTRY
- Conjugated Porphyrin Dimers: Cooperative Effects and Electronic Communication in Supramolecular Ensembles with C60
- (2016) Luis Moreira et al. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
- Reversible Guest Uptake/Release by Redox-Controlled Assembly/Disassembly of a Coordination Cage
- (2015) Vincent Croué et al. ANGEWANDTE CHEMIE-INTERNATIONAL EDITION
- Metal-driven self-assembly: the case of redox-active discrete architectures
- (2015) V. Croué et al. CHEMICAL COMMUNICATIONS
- π–π interactions in carbon nanostructures
- (2015) Emilio M. Pérez et al. CHEMICAL SOCIETY REVIEWS
- Accurate Description of Intermolecular Interactions Involving Ions Using Symmetry-Adapted Perturbation Theory
- (2015) Ka Un Lao et al. Journal of Chemical Theory and Computation
- Accurate Treatment of Large Supramolecular Complexes by Double-Hybrid Density Functionals Coupled with Nonlocal van der Waals Corrections
- (2015) Joaquín Calbo et al. Journal of Chemical Theory and Computation
- Low-Scaling Quantum Chemistry Approach to Excited-State Properties via an ab Initio Exciton Model: Application to Excitation Energy Transfer in a Self-Assembled Nanotube
- (2015) Adrian F. Morrison et al. Journal of Physical Chemistry Letters
- Tuning the reorganization energy of electron transfer in supramolecular ensembles – metalloporphyrin, oligophenylenevinylenes, and fullerene – and the impact on electron transfer kinetics
- (2015) Christina Stangel et al. Nanoscale
- Synthesis of giant globular multivalent glycofullerenes as potent inhibitors in a model of Ebola virus infection
- (2015) Antonio Muñoz et al. Nature Chemistry
- Determination of association constants towards carbon nanotubes
- (2015) Alberto de Juan et al. Chemical Science
- Unveiling the nature of supramolecular crown ether–C60 interactions
- (2015) Luis Moreira et al. Chemical Science
- Supramolecular Chemistry at Interfaces: Host–Guest Interactions for Fabricating Multifunctional Biointerfaces
- (2014) Hui Yang et al. ACCOUNTS OF CHEMICAL RESEARCH
- Metal-Atom Impact on the Self-Assembly of Cup-and-Ball Metalloporphyrin-Fullerene Conjugates
- (2014) Luis Moreira et al. ANGEWANDTE CHEMIE-INTERNATIONAL EDITION
- Electron Transfer in a Supramolecular Associate of a Fullerene Fragment
- (2014) María Gallego et al. ANGEWANDTE CHEMIE-INTERNATIONAL EDITION
- Long-range correlation energy calculated from coupled atomic response functions
- (2014) Alberto Ambrosetti et al. JOURNAL OF CHEMICAL PHYSICS
- Spin-Component-Scaled Double-Hybrid Density Functionals with Nonlocal van der Waals Correlations for Noncovalent Interactions
- (2014) Feng Yu Journal of Chemical Theory and Computation
- Enhancing Molecular Recognition in Electron Donor–Acceptor Hybrids via Cooperativity
- (2014) Rafael M. Krick Calderon et al. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
- Density functional tight binding
- (2014) M. Elstner et al. PHILOSOPHICAL TRANSACTIONS OF THE ROYAL SOCIETY A-MATHEMATICAL PHYSICAL AND ENGINEERING SCIENCES
- Carbon-Based Nanomaterials: Multifunctional Materials for Biomedical Engineering
- (2013) Chaenyung Cha et al. ACS Nano
- Pathway Complexity in π-Conjugated Materials
- (2013) Peter A. Korevaar et al. CHEMISTRY OF MATERIALS
- Exploiting Multivalent Nanoparticles for the Supramolecular Functionalization of Graphene with a Nonplanar Recognition Motif
- (2013) Fulvio G. Brunetti et al. CHEMISTRY-A EUROPEAN JOURNAL
- Highly Curved Bowl-Shaped Fragments of Fullerenes: Synthesis, Structural Analysis, and Physical Properties
- (2013) Min-Kuan Chen et al. CHEMISTRY-A EUROPEAN JOURNAL
- Obtaining the lattice energy of the anthracene crystal by modern yet affordable first-principles methods
- (2013) J. C. Sancho-García et al. JOURNAL OF CHEMICAL PHYSICS
- Nonlocal van der Waals Approach Merged with Double-Hybrid Density Functionals: Toward the Accurate Treatment of Noncovalent Interactions
- (2013) Juan Aragó et al. Journal of Chemical Theory and Computation
- Benchmarking of London Dispersion-Accounting Density Functional Theory Methods on Very Large Molecular Complexes
- (2013) Tobias Risthaus et al. Journal of Chemical Theory and Computation
- Corrected small basis set Hartree-Fock method for large systems
- (2013) Rebecca Sure et al. JOURNAL OF COMPUTATIONAL CHEMISTRY
- Self-Assembled Containers Based on Extended Tetrathiafulvalene
- (2013) Sébastien Bivaud et al. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
- Density functional tight binding: application to organic and biological molecules
- (2013) Michael Gaus et al. Wiley Interdisciplinary Reviews-Computational Molecular Science
- Dispersion-Corrected Density Functional Theory for Aromatic Interactions in Complex Systems
- (2012) Stephan Ehrlich et al. ACCOUNTS OF CHEMICAL RESEARCH
- Calculations on Noncovalent Interactions and Databases of Benchmark Interaction Energies
- (2012) Pavel Hobza ACCOUNTS OF CHEMICAL RESEARCH
- Bowl-Shaped Fragments of C70or Higher Fullerenes: Synthesis, Structural Analysis, and Inversion Dynamics
- (2012) Tsun-Cheng Wu et al. ANGEWANDTE CHEMIE-INTERNATIONAL EDITION
- Covalent organic frameworks
- (2012) Xiao Feng et al. CHEMICAL SOCIETY REVIEWS
- Supramolecular Binding Thermodynamics by Dispersion-Corrected Density Functional Theory
- (2012) Stefan Grimme CHEMISTRY-A EUROPEAN JOURNAL
- Assessing the Accuracy of SAPT(DFT) Interaction Energies by Comparison with Experimentally Derived Noble Gas Potentials and Molecular Crystal Lattice Energies
- (2012) Andrew J. Bordner CHEMPHYSCHEM
- π-Extended TTF: a versatile molecule for organic electronics
- (2012) Fulvio G. Brunetti et al. JOURNAL OF MATERIALS CHEMISTRY
- Optimization of parameters for semiempirical methods VI: more modifications to the NDDO approximations and re-optimization of parameters
- (2012) James J. P. Stewart JOURNAL OF MOLECULAR MODELING
- Functional Supramolecular Polymers
- (2012) T. Aida et al. SCIENCE
- Wraparound Hosts for Fullerenes: Tailored Macrocycles and Cages
- (2011) David Canevet et al. ANGEWANDTE CHEMIE-INTERNATIONAL EDITION
- Multireference Nature of Chemistry: The Coupled-Cluster View
- (2011) Dmitry I. Lyakh et al. CHEMICAL REVIEWS
- Organic host materials for phosphorescent organic light-emitting diodes
- (2011) Youtian Tao et al. CHEMICAL SOCIETY REVIEWS
- Benchmarking Density Functional Methods against the S66 and S66x8 Datasets for Non-Covalent Interactions
- (2011) Lars Goerigk et al. CHEMPHYSCHEM
- Effect of the damping function in dispersion corrected density functional theory
- (2011) Stefan Grimme et al. JOURNAL OF COMPUTATIONAL CHEMISTRY
- Synthesis and Structural Analysis of a Highly Curved Buckybowl Containing Corannulene and Sumanene Fragments
- (2011) Tsun-Cheng Wu et al. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
- Bowl-shape electron donors with absorptions in the visible range of the solar spectrum and their supramolecular assemblies with C60
- (2011) Helena Isla et al. Chemical Science
- Density functional theory with London dispersion corrections
- (2011) Stefan Grimme Wiley Interdisciplinary Reviews-Computational Molecular Science
- Stabilization and Structure Calculations for Noncovalent Interactions in Extended Molecular Systems Based on Wave Function and Density Functional Theories
- (2010) Kevin E. Riley et al. CHEMICAL REVIEWS
- Nonlocal van der Waals density functional: The simpler the better
- (2010) Oleg A. Vydrov et al. JOURNAL OF CHEMICAL PHYSICS
- Density fitting and Cholesky decomposition approximations in symmetry-adapted perturbation theory: Implementation and application to probe the nature of π-π interactions in linear acenes
- (2010) Edward G. Hohenstein et al. JOURNAL OF CHEMICAL PHYSICS
- A consistent and accurate ab initio parametrization of density functional dispersion correction (DFT-D) for the 94 elements H-Pu
- (2010) Stefan Grimme et al. JOURNAL OF CHEMICAL PHYSICS
- [2]Catenanes Decorated with Porphyrin and [60]Fullerene Groups: Design, Convergent Synthesis, and Photoinduced Processes
- (2010) Jackson D. Megiatto et al. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
- Noncovalent Functionalization of Single-Walled Carbon Nanotubes
- (2009) Yan-Li Zhao et al. ACCOUNTS OF CHEMICAL RESEARCH
- Discrete Supramolecular Donor-Acceptor Complexes
- (2009) S. Shankara Gayathri et al. ANGEWANDTE CHEMIE-INTERNATIONAL EDITION
- Supramolecular Polymerization
- (2009) Tom F. A. De Greef et al. CHEMICAL REVIEWS
- Organic functionalisation and characterisation of single-walled carbon nanotubes
- (2009) Prabhpreet Singh et al. CHEMICAL SOCIETY REVIEWS
- Universal Solvation Model Based on Solute Electron Density and on a Continuum Model of the Solvent Defined by the Bulk Dielectric Constant and Atomic Surface Tensions
- (2009) Aleksandr V. Marenich et al. JOURNAL OF PHYSICAL CHEMISTRY B
- Charge Transfer in Sapphyrin−Fullerene Hybrids Employing Dendritic Ensembles†
- (2009) Bruno Grimm et al. JOURNAL OF PHYSICAL CHEMISTRY B
- A density functional for sparse matter
- (2009) D C Langreth et al. JOURNAL OF PHYSICS-CONDENSED MATTER
- Photosynthetic Reaction Center Mimicry: Low Reorganization Energy Driven Charge Stabilization in Self-Assembled Cofacial Zinc Phthalocyanine Dimer−Fullerene Conjugate
- (2009) Francis D’Souza et al. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
- Nonlocal van der Waals Density Functional Made Simple
- (2009) Oleg A. Vydrov et al. PHYSICAL REVIEW LETTERS
- Accurate Molecular Van Der Waals Interactions from Ground-State Electron Density and Free-Atom Reference Data
- (2009) Alexandre Tkatchenko et al. PHYSICAL REVIEW LETTERS
- Curves ahead: molecular receptors for fullerenes based on concave–convex complementarity
- (2008) Emilio M. Pérez et al. CHEMICAL SOCIETY REVIEWS
Find the ideal target journal for your manuscript
Explore over 38,000 international journals covering a vast array of academic fields.
SearchAdd your recorded webinar
Do you already have a recorded webinar? Grow your audience and get more views by easily listing your recording on Peeref.
Upload Now