Related references
Note: Only part of the references are listed.Nature of the Water/Aromatic Parallel Alignment Interactions
Mariusz P. Mitoraj et al.
JOURNAL OF COMPUTATIONAL CHEMISTRY (2015)
Anion-π interactions and positive electrostatic potentials of N-heterocycles arise from the positions of the nuclei, not changes in the π-electron distribution
Steven E. Wheeler et al.
CHEMICAL COMMUNICATIONS (2014)
Long-Range Effects in Anion- Interactions: Their Crucial Role in the Inhibition Mechanism of Mycobacterium Tuberculosis Malate Synthase
Antonio Bauza et al.
CHEMISTRY-A EUROPEAN JOURNAL (2014)
Toward a Consistent Interpretation of the QTAIM: Tortuous Link between Chemical Bonds, Interactions, and Bond/Line Paths
Cina Foroutan-Nejad et al.
CHEMISTRY-A EUROPEAN JOURNAL (2014)
Origin of the Thermodynamic Stability of the Polymorph IV of Crystalline Barbituric Acid: Evidence from Solid-State NMR and Electron Density Analyses
Zahra Badri et al.
CRYSTAL GROWTH & DESIGN (2014)
Is π halogen bonding or lone pair•••π interaction formed between borazine and some halogenated compounds?
Hongying Zhuo et al.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2014)
On the Importance of Anion-π Interactions in the Mechanism of Sulfide:Quinone Oxidoreductase
Antonio Bauza et al.
CHEMISTRY-AN ASIAN JOURNAL (2013)
Domain-Averaged Exchange-Correlation Energies as a Physical Underpinning for Chemical Graphs
M. Garcia-Revilla et al.
CHEMPHYSCHEM (2013)
On the physical role of exchange in the formation of an intramolecular bond path between two electronegative atoms
Vincent Tognetti et al.
JOURNAL OF CHEMICAL PHYSICS (2013)
Experimental and Theoretical Characterization of a Lone Pair-π Complex: Water-Hexafluorobenzene
Jay C. Amicangelo et al.
JOURNAL OF PHYSICAL CHEMISTRY A (2013)
On the Physical Nature of Halogen Bonds: A QTAIM Study
Olga A. Syzgantseva et al.
JOURNAL OF PHYSICAL CHEMISTRY A (2013)
Molecular electrostatics for probing lone pair-pi interactions
Neetha Mohan et al.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2013)
Theoretical and experimental study of lone pair interactions in THF/chloranilic acid system
Murad A. AlDamen et al.
STRUCTURAL CHEMISTRY (2013)
Structure-Guided Discovery of Phenyl-diketo Acids as Potent Inhibitors of M. tuberculosis Malate Synthase
Irma V. Krieger et al.
CHEMISTRY & BIOLOGY (2012)
Energetic Effects between Halogen Bonds and Anion-π or Lone Pair-π Interactions: A Theoretical Study
Yunxiang Lu et al.
JOURNAL OF PHYSICAL CHEMISTRY A (2012)
Theoretical ab initio study of lone pair and anion-π interactions in fluorinated tropolones
Antonio Bauza et al.
COMPUTATIONAL AND THEORETICAL CHEMISTRY (2012)
Delocalization indices for non-covalent interaction: Hydrogen and DiHydrogen bond
D. Hugas et al.
COMPUTATIONAL AND THEORETICAL CHEMISTRY (2012)
Relevant Anion-pi Interactions in Biological Systems: The Case of Urate Oxidase
Carolina Estarellas et al.
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION (2011)
Aromatic Rings in Chemical and Biological Recognition: Energetics and Structures
Laura M. Salonen et al.
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION (2011)
Lone pair-pi vs pi-pi interactions in 5-fluoro-1-hexyluracil and 1-hexyluracil: a combined crystallographic and computational study
Miquel Barcelo-Oliver et al.
CRYSTENGCOMM (2010)
Are Anion/π Interactions Actually a Case of Simple Charge-Dipole Interaction?
Steven E. Wheeler et al.
JOURNAL OF PHYSICAL CHEMISTRY A (2010)
Experimental evidence for interactions between anions and electron-deficient aromatic rings
Orion B. Berryman et al.
CHEMICAL COMMUNICATIONS (2009)
On the Nature of Bonding in Lone Pair•••π-Electron Complexes: CCSD(T)/Complete Basis Set Limit Calculations
Jiong Ran et al.
JOURNAL OF CHEMICAL THEORY AND COMPUTATION (2009)
Theoretical investigations for the molecular structures and binding energies for C6H6(H2O)(n), (n=1-7) complexes
Seung-Joon Kim et al.
MOLECULAR PHYSICS (2009)
Anion-arene adducts:: C-H hydrogen bonding, anion-π interaction, and carbon bonding motifs
Benjamin P. Hay et al.
CHEMICAL COMMUNICATIONS (2008)
Anion-pi interactions
Brandi L. Schottel et al.
CHEMICAL SOCIETY REVIEWS (2008)
Lone pair-pi interactions: a new supramolecular bond?
Tiddo J. Mooibroek et al.
CRYSTENGCOMM (2008)
The densities produced by the density functional theory: Comparison to full configuration interaction
Arteum D. Bochevarov et al.
JOURNAL OF CHEMICAL PHYSICS (2008)
Quantitative study of interactions between oxygen lone pair and aromatic rings: Substituent effect and the importance of closeness of contact
Benjamin W. Gung et al.
JOURNAL OF ORGANIC CHEMISTRY (2008)
Ab initio study of substituent effects in the interactions of dimethyl ether with aromatic rings
Jay C. Amicangelo et al.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2008)
The M06 suite of density functionals for main group thermochemistry, thermochemical kinetics, noncovalent interactions, excited states, and transition elements: two new functionals and systematic testing of four M06-class functionals and 12 other functionals
Yan Zhao et al.
THEORETICAL CHEMISTRY ACCOUNTS (2008)
Lone pair-aromatic interactions: To stabilize or not to stabilize
Martin Egli et al.
ACCOUNTS OF CHEMICAL RESEARCH (2007)
The nature of the hydrogen bond:: A synthesis from the interacting quantum atoms picture
A. Martin Pendas et al.
JOURNAL OF CHEMICAL PHYSICS (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)
Are water-aromatic complexes always stabilized due to π-H interactions?: LMP2 study
A Reyes et al.
INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY (2005)
A binding mechanism in protein-nucleotide interactions: Implication for U1A RNA binding
V Guallar et al.
PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA (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)
Unconventional interactions between water and heterocyclic nitrogens in protein structures
EJ Stollar et al.
PROTEINS-STRUCTURE FUNCTION AND BIOINFORMATICS (2004)
Water-nucleobase stacking:: H-π and lone pair-π interactions in the atomic resolution crystal structure of an RNA pseudoknot
S Sarkhel et al.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2003)
Comparison of various types of hydrogen bonds involving aromatic amino acids
S Scheiner et al.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2002)
Electron-pairing analysis from localization and delocalization indices in the framework of the atoms-in-molecules theory
X Fradera et al.
THEORETICAL CHEMISTRY ACCOUNTS (2002)