Forced Bonding and QTAIM Deficiencies: A Case Study of the Nature of Interactions in He@Adamantane and the Origin of the High Metastability
出版年份 2013 全文链接
标题
Forced Bonding and QTAIM Deficiencies: A Case Study of the Nature of Interactions in He@Adamantane and the Origin of the High Metastability
作者
关键词
-
出版物
CHEMISTRY-A EUROPEAN JOURNAL
Volume 19, Issue 33, Pages 10945-10957
出版商
Wiley
发表日期
2013-06-21
DOI
10.1002/chem.201300317
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。- Bonding between strongly repulsive metal atoms: an oxymoron made real in a confined space of endohedral metallofullerenes
- (2012) Alexey A. Popov et al. CHEMICAL COMMUNICATIONS
- From “Loose” to “Dense” Crystalline Phases of Calcium Carbonate through “Repulsive” Interactions: An Experimental Charge-Density Study
- (2012) Yulia V. Nelyubina et al. CHEMISTRY-A EUROPEAN JOURNAL
- Hapticity Uncovered: Real-Space Bonding Indicators for Zincocene Chemistry
- (2012) Stefan Mebs 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
- Accurate integration over atomic regions bounded by zero-flux surfaces
- (2012) Pavel M. Polestshuk JOURNAL OF COMPUTATIONAL CHEMISTRY
- The assessment and application of an approach to noncovalent interactions: the energy decomposition analysis (EDA) in combination with DFT of revised dispersion correction (DFT-D3) with Slater-type orbital (STO) basis set
- (2012) Wei Gao et al. JOURNAL OF MOLECULAR MODELING
- 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
- Chemistry of endohedral metallofullerenes: the role of metals
- (2011) Xing Lu et al. CHEMICAL COMMUNICATIONS
- Packed to the Rafters: Filling up C60 with Rare Gas Atoms
- (2011) Ralf Tonner et al. CHEMPHYSCHEM
- The “Hockey Sticks” Effect Revisited: The Conformational and Electronic Properties of 3,7-Dithia-1,5-diazabicyclo[3.3.1]nonane from the QTAIM Perspective
- (2011) I. S. Bushmarinov et al. JOURNAL OF PHYSICAL CHEMISTRY A
- QTAIM and ETS-NOCV Analyses of Intramolecular CH···HC Interactions in Metal Complexes
- (2011) Ignacy Cukrowski et al. JOURNAL OF PHYSICAL CHEMISTRY A
- Performance of the Density Matrix Functional Theory in the Quantum Theory of Atoms in Molecules
- (2011) Marco García-Revilla et al. JOURNAL OF PHYSICAL CHEMISTRY A
- On the non-existence of parallel universes in chemistry
- (2011) Richard F. W. Bader Foundations of Chemistry
- 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
- A Density Functional Theory- and Atoms in Molecules-based Study of NiNTA and NiNTPA Complexes toward Physical Properties Controlling their Stability. A New Method of Computing a Formation Constant
- (2010) Ignacy Cukrowski et al. INORGANIC CHEMISTRY
- Definition of Molecular Structure: By Choice or by Appeal to Observation?
- (2010) Richard F. W. Bader JOURNAL OF PHYSICAL CHEMISTRY A
- Anion–anion interactions: their nature, energy and role in crystal formation
- (2010) Yulia V Nelyubina et al. RUSSIAN CHEMICAL REVIEWS
- Intramolecular noncovalent interactions: Bis(toluene)chromium(0) conformers
- (2010) P. I. Dem’yanov et al. Russian 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
- 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
- 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
- Steric repulsions, rotation barriers, and stereoelectronic effects: A real space perspective
- (2008) A. Martín Pendás et al. JOURNAL OF COMPUTATIONAL CHEMISTRY
- Tetradehydroadamantane-1,3,5,7-Di- and Tetracations and Their Helium and Hydride Inclusion Complexes: Spherical Aromaticity and Evidence for a Bonding Interaction between Carbon and Helium
- (2008) Götz Bucher et al. JOURNAL OF PHYSICAL CHEMISTRY A
- Endohedral Hydrogen Exchange Reactions in C60(nH2@C60,n= 1−5): Comparison of Recent Methods in a High-Pressure Cooker
- (2008) Tae Bum Lee et al. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
- The QTAIM Approach to Chemical Bonding Between Transition Metals and Carbocyclic Rings: A Combined Experimental and Theoretical Study of (η5-C5H5)Mn(CO)3, (η6-C6H6)Cr(CO)3, and (E)-{(η5-C5H4)CFCF(η5-C5H4)}(η5-C5H5)2Fe2
- (2008) Louis J. Farrugia et al. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
Find Funding. Review Successful Grants.
Explore over 25,000 new funding opportunities and over 6,000,000 successful grants.
ExploreFind the ideal target journal for your manuscript
Explore over 38,000 international journals covering a vast array of academic fields.
Search