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。Nature of Chemical Interactions from the Profiles of Electron Delocalization Indices
Marco Garcia-Revilla et al.
JOURNAL OF CHEMICAL THEORY AND COMPUTATION (2011)
Restoring orbital thinking from real space descriptions: bonding in classical and non-classical transition metal carbonyls
Davide Tiana et al.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2011)
Bonding in Classical and Nonclassical Transition Metal Carbonyls: The Interacting Quantum Atoms Perspective
Davide Tiana et al.
JOURNAL OF CHEMICAL THEORY AND COMPUTATION (2010)
When Do Interacting Atoms Form a Chemical Bond? Spectroscopic Measurements and Theoretical Analyses of Dideuteriophenanthrene
Stefan Grimme et al.
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION (2009)
Steric Repulsions, Rotation Barriers, and Stereoelectronic Effects: A Real Space Perspective
A. Martin Pendas et al.
JOURNAL OF COMPUTATIONAL CHEMISTRY (2009)
EDF:: Computing electron number probability distribution functions in real space from molecular wave functions
E. Francisco et al.
COMPUTER PHYSICS COMMUNICATIONS (2008)
Chemical interpretation of molecular electron density distributions
Julian Henn et al.
JOURNAL OF COMPUTATIONAL CHEMISTRY (2007)
Spin resolved electron number distribution functions:: How spins couple in real space
A. Martin Pendas et al.
JOURNAL OF CHEMICAL PHYSICS (2007)
Electron number probability distributions for correlated wave functions
E. Francisco et al.
JOURNAL OF CHEMICAL PHYSICS (2007)
Polycyclic benzenoids:: Why kinked is more stable than straight
Jordi Poater et al.
JOURNAL OF ORGANIC CHEMISTRY (2007)
Chemical fragments in real space:: Definitions, properties, and energetic decompositions
A. Martin Pendas et al.
JOURNAL OF COMPUTATIONAL CHEMISTRY (2007)
Bond paths as privileged exchange channels
A. Martin Pendas et al.
CHEMISTRY-A EUROPEAN JOURNAL (2007)
Binding energies of first row diatomics in the light of the interacting quantum atoms approach
A. Martin Pendas et al.
JOURNAL OF PHYSICAL CHEMISTRY A (2006)
The nature of the hydrogen bond:: A synthesis from the interacting quantum atoms picture
A. Martin Pendas et al.
JOURNAL OF CHEMICAL PHYSICS (2006)
Chemical bonds without chemical bonding? A combined experimental and theoretical charge density study on an iron trimethylenemethane complex
Louis J. Farrugia et al.
JOURNAL OF PHYSICAL CHEMISTRY A (2006)
Pauli repulsions exist only in the eye of the beholder
RFW Bader
CHEMISTRY-A EUROPEAN JOURNAL (2006)
Hydrogen-hydrogen bonding in planar biphenyl, predicted by atoms-in-molecules theory, does not exist
J Poater et al.
CHEMISTRY-A EUROPEAN JOURNAL (2006)
A model of the chemical bond must be rooted in quantum mechanics, provide insight, and possess predictive power
J Poater et al.
CHEMISTRY-A EUROPEAN JOURNAL (2006)
A molecular energy decomposition scheme for atoms in molecules
E Francisco et al.
JOURNAL OF CHEMICAL THEORY AND COMPUTATION (2006)
Interacting quantum atoms:: A correlated energy decomposition scheme based on the Quantum Theory of Atoms in Molecules
MA Blanco et al.
JOURNAL OF CHEMICAL THEORY AND COMPUTATION (2005)
A very short uranium-uranium bond:: The predicted metastable U22+
L Gagliardi et al.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2005)
Two-electron integrations in the quantum theory of atoms in molecules with correlated wave functions
AM Pendás et al.
JOURNAL OF COMPUTATIONAL CHEMISTRY (2005)
Two-electron integrations in the quantum theory of atoms in molecules
AM Pendás et al.
JOURNAL OF CHEMICAL PHYSICS (2004)
Topological analysis of electron densities: Is the presence of an atomic interaction line in an equilibrium geometry a sufficient condition for the existence of a chemical bond?
A Haaland et al.
CHEMISTRY-A EUROPEAN JOURNAL (2004)
分享论文
