标题
Quantification of “fuzzy” chemical concepts: a computational perspective
作者
关键词
-
出版物
CHEMICAL SOCIETY REVIEWS
Volume 41, Issue 13, Pages 4671
出版商
Royal Society of Chemistry (RSC)
发表日期
2012-06-02
DOI
10.1039/c2cs35037h
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。- Assessing Metal-Metal Multiple Bonds in CrCr, MoMo, and WW Compounds and a Hypothetical UU Compound: A Quantum Chemical Study Comparing DFT and Multireference Methods
- (2012) Giovanni Li Manni et al. CHEMISTRY-A EUROPEAN JOURNAL
- Covalent Capture of Nitrous Oxide by N-Heterocyclic Carbenes
- (2011) Alexander G. Tskhovrebov et al. ANGEWANDTE CHEMIE-INTERNATIONAL EDITION
- Distinguishing Carbones from Allenes by Complexation to AuCl
- (2011) Catharine Esterhuysen et al. CHEMISTRY-A EUROPEAN JOURNAL
- Meaningful Structural Descriptors from Charge Density
- (2011) Dietmar Stalke CHEMISTRY-A EUROPEAN JOURNAL
- On the Advantages of Hydrocarbon Radical Stabilization Energies Based on R−H Bond Dissociation Energies
- (2011) Matthew D. Wodrich et al. JOURNAL OF ORGANIC CHEMISTRY
- Studies on the Encapsulation of Various Anions in Different Fullerenes Using Density Functional Theory Calculations and Born–Oppenheimer Molecular Dynamics Simulation
- (2011) Pawar Ravinder et al. JOURNAL OF PHYSICAL CHEMISTRY A
- Sensing or No Sensing: Can the Anomeric Effect Be Probed by a Sensing Molecule?
- (2011) Changwei Wang et al. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
- Overcoming lability of extremely long alkane carbon–carbon bonds through dispersion forces
- (2011) Peter R. Schreiner et al. NATURE
- How do electron localization functions describe π-electron delocalization?
- (2011) Stephan N. Steinmann et al. PHYSICAL CHEMISTRY CHEMICAL PHYSICS
- Rotational barriers in alkanes
- (2011) Yirong Mo Wiley Interdisciplinary Reviews-Computational Molecular Science
- Energy decomposition analysis
- (2011) Moritz von Hopffgarten et al. Wiley Interdisciplinary Reviews-Computational Molecular Science
- Natural bond orbital methods
- (2011) Eric D. Glendening et al. Wiley Interdisciplinary Reviews-Computational Molecular Science
- Bonding in Classical and Nonclassical Transition Metal Carbonyls: The Interacting Quantum Atoms Perspective
- (2010) Davide Tiana et al. Journal of Chemical Theory and Computation
- How Strained are Carbomeric-Cycloalkanes?
- (2010) Matthew D. Wodrich et al. JOURNAL OF PHYSICAL CHEMISTRY A
- Reply to the “Comment on ‘The Concept of Protobranching and Its Many Paradigm Shifting Implications for Energy Evaluations’”
- (2010) Paul von Ragué Schleyer et al. JOURNAL OF PHYSICAL CHEMISTRY A
- Sensing the anomeric effect in a solvent-free environment
- (2010) Emilio J. Cocinero et al. NATURE
- Computational evidence that hyperconjugative interactions are not responsible for the anomeric effect
- (2010) Yirong Mo Nature Chemistry
- Branched Alkanes Have Contrasting Stabilities
- (2010) Jérôme F. Gonthier et al. ORGANIC LETTERS
- Direct Assessment of Electron Delocalization Using NMR Chemical Shifts
- (2009) Stephanâ N. Steinmann et al. ANGEWANDTE CHEMIE-INTERNATIONAL EDITION
- Is Cyclopropane Really the σ-Aromatic Paradigm?
- (2009) Wei Wu et al. CHEMISTRY-A EUROPEAN JOURNAL
- Electrostatic Potentials from Self-Consistent Hirshfeld Atomic Charges
- (2009) Sofie Van Damme et al. Journal of Chemical Theory and Computation
- A Hierarchy of Homodesmotic Reactions for Thermochemistry
- (2009) Steven E. Wheeler et al. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
- Ultrashort metal–metal distances and extreme bond orders
- (2009) Frank R. Wagner et al. Nature Chemistry
- A Piece of the Picture-Misunderstanding of Chemical Concepts
- (2008) Martin Jansen et al. ANGEWANDTE CHEMIE-INTERNATIONAL EDITION
- Are the Hirshfeld and Mulliken population analysis schemes consistent with chemical intuition?
- (2008) Soumen Saha et al. INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY
- How Well Can New-Generation Density Functionals Describe the Energetics of Bond-Dissociation Reactions Producing Radicals?
- (2008) Yan Zhao et al. JOURNAL OF PHYSICAL CHEMISTRY A
Create your own webinar
Interested in hosting your own webinar? Check the schedule and propose your idea to the Peeref Content Team.
Create NowBecome a Peeref-certified reviewer
The Peeref Institute provides free reviewer training that teaches the core competencies of the academic peer review process.
Get Started