Visualisation of Chemical Shielding Tensors (VIST) to Elucidate Aromaticity and Antiaromaticity**
出版年份 2021 全文链接
标题
Visualisation of Chemical Shielding Tensors (VIST) to Elucidate Aromaticity and Antiaromaticity**
作者
关键词
-
出版物
EUROPEAN JOURNAL OF ORGANIC CHEMISTRY
Volume 2021, Issue 17, Pages 2529-2539
出版商
Wiley
发表日期
2021-04-07
DOI
10.1002/ejoc.202100352
参考文献
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。- Triplet State Baird Aromaticity in Macrocycles: Scope, Limitations, and Complications
- (2021) Rabia Ayub et al. JOURNAL OF PHYSICAL CHEMISTRY A
- Trishomoaromatic (B3N3Ph6)-Dianion: Characterization and Two-Electron Reduction
- (2020) Wen-Xiong Zhang et al. ANGEWANDTE CHEMIE-INTERNATIONAL EDITION
- NICS - Past and Present
- (2020) Amnon Stanger EUROPEAN JOURNAL OF ORGANIC CHEMISTRY
- TheoDORE: A toolbox for a detailed and automated analysis of electronic excited state computations
- (2020) F. Plasser JOURNAL OF CHEMICAL PHYSICS
- Interplay of Aromaticity and Antiaromaticity in N-Doped Nanographenes
- (2020) Isaac Benkyi et al. JOURNAL OF PHYSICAL CHEMISTRY A
- Boron-Doped Polycyclic Aromatic Hydrocarbons: A Molecular Set Revealing the Interplay between Topology and Singlet Fission Propensity
- (2020) Joanna Stoycheva et al. Journal of Physical Chemistry Letters
- Strategies for Design of Potential Singlet Fission Chromophores Utilizing a Combination of Ground State and Excited State Aromaticity Rules
- (2020) Ouissam El Bakouri et al. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
- 3D global aromaticity in a fully conjugated diradicaloid cage at different oxidation states
- (2020) Yong Ni et al. Nature Chemistry
- Global aromaticity at the nanoscale
- (2020) Michel Rickhaus et al. Nature Chemistry
- Quinoidal Azaacenes: 99 % Diradical Character
- (2020) Sebastian N. Intorp et al. ANGEWANDTE CHEMIE-INTERNATIONAL EDITION
- Switching between Local and Global Aromaticity in a Conjugated Macrocycle for High‐Performance Organic Sodium‐Ion Battery Anodes
- (2020) Simon Eder et al. ANGEWANDTE CHEMIE-INTERNATIONAL EDITION
- Singlet Fission in a Pyrrole-Fused Cross-Conjugated Skeleton with Adaptive Aromaticity
- (2020) Long Wang et al. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
- Detailed Visualization of Aromaticity Using Isotropic Magnetic Shielding
- (2020) Bryan J. Lampkin et al. ANGEWANDTE CHEMIE-INTERNATIONAL EDITION
- Synthesis of a Sidewall Fragment of a (12,0) Carbon Nanotube
- (2020) Chunyan Chi et al. ANGEWANDTE CHEMIE-INTERNATIONAL EDITION
- Norcorrole: Aromaticity and Antiaromaticity in Contest
- (2020) Peter B. Karadakov ORGANIC LETTERS
- Aromaticity of Even-Number Cyclo[n]carbons (n = 6–100)
- (2020) Glib V. Baryshnikov et al. JOURNAL OF PHYSICAL CHEMISTRY A
- Aromaticity and Antiaromaticity in the Excited States of Porphyrin Nanorings
- (2019) Martin D. Peeks et al. Journal of Physical Chemistry Letters
- Exploration of Li-Organic Batteries Using Hexaphyrin as an Active Cathode Material
- (2019) Ji-Young Shin et al. MOLECULES
- Exploiting Excited-State Aromaticity To Design Highly Stable Singlet Fission Materials
- (2019) Kealan J. Fallon et al. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
- Global Aromaticity and Antiaromaticity in Porphyrin Nanoring Anions
- (2019) Martin D. Peeks et al. ANGEWANDTE CHEMIE-INTERNATIONAL EDITION
- [6]Cyclo-para-phenylmethine: An Analog of Benzene Showing Global Aromaticity and Open-Shell Diradical Character
- (2019) Zhengtao Li et al. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
- Three-dimensional aromaticity in an antiaromatic cyclophane
- (2019) Ryo Nozawa et al. Nature Communications
- Emerging applications of carbon nanohoops
- (2019) Erik J. Leonhardt et al. Nature Reviews Chemistry
- NICS‐ XY ‐Scan Predictions of Local, Semi‐Global, and Global Ring Currents in Annulated Pentalene and s‐Indacene Cores Compared to First‐Principles Current Density Maps
- (2019) Amnon Stanger et al. CHEMPHYSCHEM
- Mechanical Switching of Aromaticity and Homoaromaticity in Molecular Optical Force Sensors for Polymers
- (2018) Tim Stauch CHEMISTRY-A EUROPEAN JOURNAL
- Multireference Approaches for Excited States of Molecules
- (2018) Hans Lischka et al. CHEMICAL REVIEWS
- Nonadiabatic Dynamics of Cycloparaphenylenes with TD-DFTB Surface Hopping
- (2017) Ljiljana Stojanović et al. Journal of Chemical Theory and Computation
- Can Baird’s and Clar’s Rules Combined Explain Triplet State Energies of Polycyclic Conjugated Hydrocarbons with Fused 4nπ- and (4n + 2)π-Rings?
- (2017) Rabia Ayub et al. JOURNAL OF ORGANIC CHEMISTRY
- A Stable π-Conjugated Singlet Biradical
- (2016) Felix Hinkel et al. ANGEWANDTE CHEMIE-INTERNATIONAL EDITION
- Modern Valence-Bond Description of Homoaromaticity
- (2016) Peter B. Karadakov et al. JOURNAL OF PHYSICAL CHEMISTRY A
- Polyradical Character of Triangular Non-Kekulé Structures, Zethrenes, p-Quinodimethane-Linked Bisphenalenyl, and the Clar Goblet in Comparison: An Extended Multireference Study
- (2016) Anita Das et al. JOURNAL OF PHYSICAL CHEMISTRY A
- Can the current density map topology be extracted from the nucleus independent chemical shifts?
- (2016) Sofie Van Damme et al. PHYSICAL CHEMISTRY CHEMICAL PHYSICS
- Stacked antiaromatic porphyrins
- (2016) Ryo Nozawa et al. Nature Communications
- Cycloparaphenylenes and related nanohoops
- (2015) Simon E. Lewis CHEMICAL SOCIETY REVIEWS
- Zethrenes, Extended p-Quinodimethanes, and Periacenes with a Singlet Biradical Ground State
- (2014) Zhe Sun et al. ACCOUNTS OF CHEMICAL RESEARCH
- An Antiaromatic Electrode-Active Material Enabling High Capacity and Stable Performance of Rechargeable Batteries
- (2014) Ji-Young Shin et al. ANGEWANDTE CHEMIE-INTERNATIONAL EDITION
- The NICS-XY-Scan: Identification of Local and Global Ring Currents in Multi-Ring Systems
- (2014) Renana Gershoni-Poranne et al. CHEMISTRY-A EUROPEAN JOURNAL
- New tools for the systematic analysis and visualization of electronic excitations. I. Formalism
- (2014) Felix Plasser et al. JOURNAL OF CHEMICAL PHYSICS
- In-Plane Aromaticity in Cycloparaphenylene Dications: A Magnetic Circular Dichroism and Theoretical Study
- (2014) Naoyuki Toriumi et al. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
- A comparison of singlet and triplet states for one- and two-dimensional graphene nanoribbons using multireference theory
- (2014) Shawn Horn et al. THEORETICAL CHEMISTRY ACCOUNTS
- Multiconfigurational Self-Consistent Field Calculations of the Magnetically Induced Current Density Using Gauge-Including Atomic Orbitals
- (2013) Shubhrodeep Pathak et al. Journal of Chemical Theory and Computation
- Forty years of Clar's aromatic π-sextet rule
- (2013) Miquel Solà Frontiers in Chemistry
- Gram-Scale Synthesis of Nickel(II) Norcorrole: The Smallest Antiaromatic Porphyrinoid
- (2012) Tomohiro Ito et al. ANGEWANDTE CHEMIE-INTERNATIONAL EDITION
- Recent Advances in Wave Function-Based Methods of Molecular-Property Calculations
- (2012) Trygve Helgaker et al. CHEMICAL REVIEWS
- Analysis of Excitonic and Charge Transfer Interactions from Quantum Chemical Calculations
- (2012) Felix Plasser et al. Journal of Chemical Theory and Computation
- Exciting excited-state aromaticity
- (2012) Henrik Ottosson Nature Chemistry
- Size-Selective Encapsulation of C60 by [10]Cycloparaphenylene: Formation of the Shortest Fullerene-Peapod
- (2011) Takahiro Iwamoto et al. ANGEWANDTE CHEMIE-INTERNATIONAL EDITION
- The gauge including magnetically induced current method
- (2011) Heike Fliegl et al. PHYSICAL CHEMISTRY CHEMICAL PHYSICS
- Singlet Fission
- (2010) Millicent B. Smith et al. CHEMICAL REVIEWS
- Magnetically Induced Currents in [n]Cycloparaphenylenes,n= 6−11
- (2010) Stefan Taubert et al. JOURNAL OF ORGANIC CHEMISTRY
- Calculation of absorption and emission spectra of [n]cycloparaphenylenes: the reason for the large Stokes shift
- (2010) Dage Sundholm et al. PHYSICAL CHEMISTRY CHEMICAL PHYSICS
- Chemical shift tensors: Theory and application to molecular structural problems
- (2010) Julio C. Facelli PROGRESS IN NUCLEAR MAGNETIC RESONANCE SPECTROSCOPY
- Magnetically Induced Current Densities in Aromatic, Antiaromatic, Homoaromatic, and Nonaromatic Hydrocarbons
- (2009) Heike Fliegl et al. JOURNAL OF PHYSICAL CHEMISTRY A
- Optoelectronic Properties of Carbon Nanorings: Excitonic Effects from Time-Dependent Density Functional Theory
- (2009) Bryan M. Wong Journal of Physical Chemistry C
- Ground- and Excited-State Aromaticity and Antiaromaticity in Benzene and Cyclobutadiene
- (2008) Peter B. Karadakov JOURNAL OF PHYSICAL CHEMISTRY A
- Synthesis, Characterization, and Theory of [9]-, [12]-, and [18]Cycloparaphenylene: Carbon Nanohoop Structures
- (2008) Ramesh Jasti et al. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
- Chemistry of the three-dimensionally aromatic CB11 cage
- (2008) Josef Michl PURE AND APPLIED CHEMISTRY
Discover Peeref hubs
Discuss science. Find collaborators. Network.
Join a conversationCreate your own webinar
Interested in hosting your own webinar? Check the schedule and propose your idea to the Peeref Content Team.
Create Now