Bond paths between distant atoms do not necessarily indicate dominant interactions
Published 2018 View Full Article
- Home
- Publications
- Publication Search
- Publication Details
Title
Bond paths between distant atoms do not necessarily indicate dominant interactions
Authors
Keywords
-
Journal
JOURNAL OF COMPUTATIONAL CHEMISTRY
Volume 39, Issue 26, Pages 2183-2195
Publisher
Wiley
Online
2018-10-09
DOI
10.1002/jcc.25532
References
Ask authors/readers for more resources
Related references
Note: Only part of the references are listed.- Hydride-Triel Bonds
- (2018) Mirosław Jabłoński JOURNAL OF COMPUTATIONAL CHEMISTRY
- Revealing the physical nature and the strength of charge-inverted hydrogen bonds by SAPT(DFT), MP2, SCS-MP2, MP2C, and CCSD(T) methods
- (2017) Sirous Yourdkhani et al. JOURNAL OF COMPUTATIONAL CHEMISTRY
- Comparison of Various Means of Evaluating Molecular Electrostatic Potentials for Noncovalent Interactions
- (2017) Steve Scheiner JOURNAL OF COMPUTATIONAL CHEMISTRY
- Quantifying Electron Correlation of the Chemical Bond
- (2017) James L. McDonagh et al. Journal of Physical Chemistry Letters
- Strength of Si–H ⋯ B charge-inverted hydrogen bonds in 1-silacyclopent-2-enes and 1-silacyclohex-2-enes
- (2017) Mirosław Jabłoński STRUCTURAL CHEMISTRY
- To What Extent are “Atoms in Molecules” Structures of Hydrocarbons Reproducible from the Promolecule Electron Densities?
- (2016) Zahra Alimohammadi Keyvani et al. CHEMISTRY-A EUROPEAN JOURNAL
- Extension of the interacting quantum atoms (IQA) approach to B3LYP level density functional theory (DFT)
- (2016) Peter Maxwell et al. PHYSICAL CHEMISTRY CHEMICAL PHYSICS
- Comparative study of geometric and QTAIM-based differences between XH⋯Y intramolecular charge-inverted hydrogen bonds, M1⋯(HX) agostic bonds and M2⋯(η2-XH) σ interactions (X=Si, Ge; Y=Al, Ga; M1=Ti, Co; M2=Mn, Fe, Cr)
- (2016) Mirosław Jabłoński Computational and Theoretical Chemistry
- π-Hole Bonds: Boron and Aluminum Lewis Acid Centers
- (2015) Sławomir J. Grabowski CHEMPHYSCHEM
- Charge-inverted hydrogen bond vs. other interactions possessing a hydridic hydrogen atom
- (2014) Mirosław Jabłoński CHEMICAL PHYSICS
- Toward a Consistent Interpretation of the QTAIM: Tortuous Link between Chemical Bonds, Interactions, and Bond/Line Paths
- (2014) Cina Foroutan-Nejad et al. CHEMISTRY-A EUROPEAN JOURNAL
- The stability of η2-H2 borane complexes – a theoretical investigation
- (2014) László Könczöl et al. DALTON TRANSACTIONS
- Density functional theory and Bader's atoms-in-molecules theory: towards a vivid dialogue
- (2014) Vincent Tognetti et al. PHYSICAL CHEMISTRY CHEMICAL PHYSICS
- The halogenoxygen interaction in 3-halogenopropenal revisited – The dimer model vs. QTAIM indications
- (2013) Mirosław Jabłoński et al. CHEMICAL PHYSICS
- On critical points and exchange-related properties of intramolecular bonds between two electronegative atoms
- (2013) Vincent Tognetti et al. CHEMICAL PHYSICS LETTERS
- 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
- Different Zeroes of Interaction Energies As the Cause of Opposite Results on the Stabilizing Nature of C–H···O Intramolecular Interactions
- (2013) Mirosław Jabłoński et al. Journal of Chemical Information and Modeling
- 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
- Physical nature of interactions in charge-inverted hydrogen bonds
- (2012) Mirosław Jabłoński et al. CHEMICAL PHYSICS LETTERS
- 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
- Energetic and Geometrical Evidence of Nonbonding Character of Some Intramolecular Halogen···Oxygen and Other Y···Y Interactions
- (2012) Mirosl̷aw Jabłoński JOURNAL OF PHYSICAL CHEMISTRY A
- Theoretical insight into the nature of the intermolecular charge-inverted hydrogen bond
- (2012) Mirosław Jabłoński Computational and Theoretical Chemistry
- σ-Holes, π-holes and electrostatically-driven interactions
- (2011) Jane S. Murray et al. JOURNAL OF MOLECULAR MODELING
- Full vs. constrain geometry optimization in the open–closed method in estimating the energy of intramolecular charge-inverted hydrogen bonds
- (2010) Mirosław Jabłoński CHEMICAL PHYSICS
- Directional tendencies of halogen and hydrogen bonds
- (2010) Zenaida P. Shields et al. INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY
- Intramolecular charge-inverted hydrogen bond
- (2010) Mirosław Jabłoński JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM
- Definition of Molecular Structure: By Choice or by Appeal to Observation?
- (2010) Richard F. W. Bader JOURNAL OF PHYSICAL CHEMISTRY A
- Halogen bonding: an electrostatically-driven highly directional noncovalent interaction
- (2010) Peter Politzer et al. PHYSICAL CHEMISTRY CHEMICAL PHYSICS
- Binding of X–H to the lone-pair vacancy: Charge-inverted hydrogen bond
- (2009) Mirosław Jabłoński CHEMICAL PHYSICS LETTERS
- Bond Paths Are Not Chemical Bonds
- (2009) Richard F. W. Bader JOURNAL OF PHYSICAL CHEMISTRY A
- 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
- The Implications of Symmetry of the External Potential on Bond Paths
- (2008) Erick Cerpa 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
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 NowAsk a Question. Answer a Question.
Quickly pose questions to the entire community. Debate answers and get clarity on the most important issues facing researchers.
Get Started