Toward a Consistent Interpretation of the QTAIM: Tortuous Link between Chemical Bonds, Interactions, and Bond/Line Paths
Published 2014 View Full Article
- Home
- Publications
- Publication Search
- Publication Details
Title
Toward a Consistent Interpretation of the QTAIM: Tortuous Link between Chemical Bonds, Interactions, and Bond/Line Paths
Authors
Keywords
-
Journal
CHEMISTRY-A EUROPEAN JOURNAL
Volume 20, Issue 32, Pages 10140-10152
Publisher
Wiley
Online
2014-07-30
DOI
10.1002/chem.201402177
References
Ask authors/readers for more resources
Related references
Note: Only part of the references are listed.- Investigation of the distinction between van der Waals interaction and chemical bonding based on the PAEM-MO diagram
- (2014) Dong-Xia Zhao et al. JOURNAL OF COMPUTATIONAL CHEMISTRY
- Hydrogen–Hydrogen Bonds in Highly Branched Alkanes and in Alkane Complexes: A DFT, ab initio, QTAIM, and ELF Study
- (2014) Norberto K. V. Monteiro et al. JOURNAL OF PHYSICAL CHEMISTRY A
- A correlation between the mean polarizability of the “kinked” polycyclic aromatic hydrocarbons and the number of H…H bond critical points predicted by Atoms-in-Molecules theory
- (2014) D.Sh. Sabirov Computational and Theoretical Chemistry
- The halogenoxygen interaction in 3-halogenopropenal revisited – The dimer model vs. QTAIM indications
- (2013) Mirosław Jabłoński et al. CHEMICAL PHYSICS
- Forced Bonding and QTAIM Deficiencies: A Case Study of the Nature of Interactions in He@Adamantane and the Origin of the High Metastability
- (2013) Piotr I. Dem'yanov et al. CHEMISTRY-A EUROPEAN JOURNAL
- Domain-Averaged Exchange-Correlation Energies as a Physical Underpinning for Chemical Graphs
- (2013) M. García-Revilla et al. CHEMPHYSCHEM
- Congested molecules. Where is the steric repulsion? An analysis of the electron density by the method of interacting quantum atoms
- (2013) Jan Dillen INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY
- On the physical role of exchange in the formation of an intramolecular bond path between two electronegative atoms
- (2013) Vincent Tognetti et al. JOURNAL OF CHEMICAL PHYSICS
- Are Bond Critical Points Really Critical for Hydrogen Bonding?
- (2013) Joseph R. Lane et al. Journal of Chemical Theory and Computation
- Understanding the Nature of the CH···HC Interactions in Alkanes
- (2013) David Danovich et al. Journal of Chemical Theory and Computation
- Bonding analysis of trimethylenemethane (TMM) complexes [(CO)3M–TMM] (M = Fe, Ru, Os, Rh+). Absence of expected bond paths
- (2013) Masoumeh Mousavi et al. JOURNAL OF ORGANOMETALLIC CHEMISTRY
- On the Physical Nature of Halogen Bonds: A QTAIM Study
- (2013) Olga A. Syzgantseva et al. JOURNAL OF PHYSICAL CHEMISTRY A
- Description of Aromaticity with the Help of Vibrational Spectroscopy: Anthracene and Phenanthrene
- (2013) Robert Kalescky et al. JOURNAL OF PHYSICAL CHEMISTRY A
- Physical Nature of Interactions in ZnII Complexes with 2,2′-Bipyridyl: Quantum Theory of Atoms in Molecules (QTAIM), Interacting Quantum Atoms (IQA), Noncovalent Interactions (NCI), and Extended Transition State Coupled with Natural Orbitals for Chemical Valence (ETS-NOCV) Comparative Studies
- (2013) Ignacy Cukrowski et al. JOURNAL OF PHYSICAL CHEMISTRY A
- H-H interaction in phenanthrene: Attraction or repulsion?
- (2013) A. V. Vashchenko et al. JOURNAL OF STRUCTURAL CHEMISTRY
- Bonding Analysis of the Trimethylenemethane (TMM) Complexes [(η6-C6H6)M-TMM] (M = Fe, Ru, Os), [(η5-C5H5)M-TMM] (M = Co, Rh, Ir), and [(η4-C4H4)M-TMM] (M = Ni, Pd, Pt)
- (2013) Masoumeh Mousavi et al. ORGANOMETALLICS
- The two-component quantum theory of atoms in molecules (TC-QTAIM): tensor formulation and its implications
- (2013) Mohammad Goli et al. THEORETICAL CHEMISTRY ACCOUNTS
- Toward the multi-component quantum theory of atoms in molecules: a variational derivation
- (2013) Mohammad Goli et al. THEORETICAL CHEMISTRY ACCOUNTS
- The two-component quantum theory of atoms in molecules (TC-QTAIM): the unified theory of localization/delocalization of electrons, nuclei, and exotic elementary particles
- (2013) Mohammad Goli et al. THEORETICAL CHEMISTRY ACCOUNTS
- The occurrence and representation of three-centre two-electron bonds in covalent inorganic compounds
- (2012) Jennifer C. Green et al. CHEMICAL COMMUNICATIONS
- Observations and Descriptions versus Explanations-An Example: Does Nature, Does Theory Know About Steric Hindrance?
- (2012) W. H. Eugen Schwarz et al. CHEMISTRY-A EUROPEAN JOURNAL
- A Bond Path and an Attractive Ehrenfest Force Do Not Necessarily Indicate Bonding Interactions: Case Study on M2X2 (M=Li, Na, K; X=H, OH, F, Cl)
- (2012) Piotr Dem'yanov et al. CHEMISTRY-A EUROPEAN JOURNAL
- Hydrogen-hydrogen interaction in the LaNiInH4/3hydride
- (2012) Emilio Orgaz et al. INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY
- Do Nonbonded H--H Interactions in Phenanthrene Stabilize It Relative to Anthracene? A Possible Resolution to this Question and Its Implications for Ligands such as 2,2′-Bipyridyl
- (2012) Robert D. Hancock et al. JOURNAL OF PHYSICAL CHEMISTRY A
- Can QTAIM Topological Parameters Be a Measure of Hydrogen Bonding Strength?
- (2012) Yirong Mo JOURNAL OF PHYSICAL CHEMISTRY A
- Stabilizing hydrogen-hydrogen interactions in cationic indopolycarbocyanine dyes
- (2012) G. V. Baryshnikov et al. JOURNAL OF STRUCTURAL CHEMISTRY
- The two-component quantum theory of atoms in molecules (TC-QTAIM): foundations
- (2012) Mohammad Goli et al. THEORETICAL CHEMISTRY ACCOUNTS
- Beyond the orthodox QTAIM: motivations, current status, prospects and challenges
- (2012) Shant Shahbazian Foundations of Chemistry
- Comment on “Austere quantum mechanics as a reductive basis for chemistry”
- (2012) Shant Shahbazian Foundations of Chemistry
- Nature of Chemical Interactions from the Profiles of Electron Delocalization Indices
- (2011) Marco García-Revilla et al. Journal of Chemical Theory and Computation
- QTAIM and ETS-NOCV Analyses of Intramolecular CH···HC Interactions in Metal Complexes
- (2011) Ignacy Cukrowski et al. JOURNAL OF PHYSICAL CHEMISTRY A
- Dihydrogen contacts in alkanes are subtle but not faint
- (2011) Jorge Echeverría et al. Nature Chemistry
- Atoms in molecules: beyond Born–Oppenheimer paradigm
- (2011) Mohammad Goli et al. THEORETICAL CHEMISTRY ACCOUNTS
- Hydrogen–hydrogen bonding: A stabilizing interaction in strained chelating rings of metal complexes in aqueous phase
- (2010) Ignacy Cukrowski et al. CHEMICAL PHYSICS LETTERS
- Antibond Breaking-The Formation and Decomposition of He@Adamantane: Descriptions, Explanations, and Meaning of Concepts
- (2010) Shu-Guang Wang et al. CHEMISTRY-A EUROPEAN JOURNAL
- Kinetic energy density and covalent bonding – a complementary analysis at the border of bond and no bond
- (2010) Heiko Jacobsen DALTON TRANSACTIONS
- Metal−Metal and Metal−Ligand Bonding at a QTAIM Catastrophe: A Combined Experimental and Theoretical Charge Density Study on the Alkylidyne Cluster Fe3(μ-H)(μ-COMe)(CO)10
- (2010) Louis J. Farrugia et al. JOURNAL OF PHYSICAL CHEMISTRY A
- Definition of Molecular Structure: By Choice or by Appeal to Observation?
- (2010) Richard F. W. Bader JOURNAL OF PHYSICAL CHEMISTRY A
- When Do Interacting Atoms Form a Chemical Bond? Spectroscopic Measurements and Theoretical Analyses of Dideuteriophenanthrene
- (2009) Stefan Grimme et al. ANGEWANDTE CHEMIE-INTERNATIONAL EDITION
- How molecules stick together in organic crystals: weak intermolecular interactions
- (2009) Jack D. Dunitz et al. CHEMICAL SOCIETY REVIEWS
- Bonding or Nonbonding? Description or Explanation? “Confinement Bonding” of He@adamantane
- (2009) Shu-Guang Wang et al. CHEMISTRY-A EUROPEAN JOURNAL
- Do the Structural Changes Defined by the Electron Density Topology Necessarily Affect the Picture of the Bonding?
- (2009) Robert Ponec et al. INORGANIC CHEMISTRY
- On the Interpretation of the Source Function
- (2009) Louis J. Farrugia et al. JOURNAL OF PHYSICAL CHEMISTRY A
- Bond Paths Are Not Chemical Bonds
- (2009) Richard F. W. Bader JOURNAL OF PHYSICAL CHEMISTRY A
- Atomic energy in the 'Atoms in Molecules' theory and its use for solving chemical problems
- (2009) I S Bushmarinov et al. RUSSIAN CHEMICAL REVIEWS
- Chemical Bonding in the Inclusion Complex of He in Adamantane, He@adam: Antithesis and Complement
- (2008) Moritz von Hopffgarten et al. CHEMISTRY-A EUROPEAN JOURNAL
- N,N-Dimethylaminopropylsilane: A Case Study on the Nature of Weak Intramolecular Si⋅⋅⋅N Interactions
- (2008) Michael Hagemann et al. CHEMISTRY-A EUROPEAN JOURNAL
- Chemical Bonding in the Inclusion Complex of He in Adamantane (He@adam): The Origin of the Barrier to Dissociation
- (2008) Tatyana Strenalyuk et al. CHEMISTRY-A EUROPEAN JOURNAL
- Influence of Endohedral Confinement on the Electronic Interaction between He atoms: A He2@C20H20Case Study
- (2008) Erick Cerpa et al. CHEMISTRY-A EUROPEAN JOURNAL
- Extremely narrow SiON angles in siloxy-substituted nitrogen-containing rings: a computational investigation
- (2008) Thomas Foerster et al. DALTON TRANSACTIONS
- On the presence or absence of geminal Si⋯N interactions (α-effect) in pentafluorophenylsilyl compounds with SiCN, SiNN and SiON backbones
- (2008) Markus Woski et al. DALTON TRANSACTIONS
- Structure and bonding in binuclear metal carbonyls from the analysis of domain averaged Fermi holes. I. Fe2(CO)9 and Co2(CO)8
- (2008) Robert Ponec et al. JOURNAL OF COMPUTATIONAL CHEMISTRY
- Steric repulsions, rotation barriers, and stereoelectronic effects: A real space perspective
- (2008) A. Martín Pendás et al. JOURNAL OF COMPUTATIONAL CHEMISTRY
- Chemical bonding in view of electron charge density and kinetic energy density descriptors
- (2008) Heiko Jacobsen JOURNAL OF COMPUTATIONAL CHEMISTRY
- Revealing Intuitively Assessable Chemical Bonding Patterns in Organic Aromatic Molecules via Adaptive Natural Density Partitioning
- (2008) Dmitry Yu. Zubarev et al. JOURNAL OF ORGANIC CHEMISTRY
- A Computational Study on Some Viable Targets for Gas-Phase Synthesis of Metal Complexes of the Cyclic (B6C)−2and Their Bonding Pattern
- (2008) Shant Shahbazian et al. JOURNAL OF PHYSICAL CHEMISTRY A
- ”Developing paradigms of chemical bonding: adaptive natural density partitioning
- (2008) Dmitry Yu. Zubarev et al. PHYSICAL CHEMISTRY CHEMICAL PHYSICS
- Chemical reductionism revisited: Lewis, Pauling and the physico-chemical nature of the chemical bond
- (2008) Martha L. Harris STUDIES IN HISTORY AND PHILOSOPHY OF SCIENCE
- Aromaticity and antiaromaticity in transition-metal systems
- (2007) Dmitry Yu. Zubarev et al. PHYSICAL CHEMISTRY CHEMICAL PHYSICS
Add 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 NowCreate your own webinar
Interested in hosting your own webinar? Check the schedule and propose your idea to the Peeref Content Team.
Create Now