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。The Origins of the Directionality of Noncovalent Intermolecular Interactions
Changwei Wang et al.
JOURNAL OF COMPUTATIONAL CHEMISTRY (2016)
Computational Tools To Model Halogen Bonds in Medicinal Chemistry
Melissa Coates Ford et al.
JOURNAL OF MEDICINAL CHEMISTRY (2016)
Extended Halogen Bonding between Fully Fluorinated Aromatic Molecules
Shigeki Kawai et al.
ACS NANO (2015)
Aerogen Bonding Interaction: A New Supramolecular Force?
Antonio Bauza et al.
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION (2015)
Observation of a reversible isomorphous phase transition and an interplay of sigma-holes'' and pi-holes'' in Fmoc-Leu-psi[CH2-NCS]
Rumpa Pal et al.
CHEMICAL COMMUNICATIONS (2015)
Nature of Noncovalent Carbon-Bonding Interactions Derived from Experimental Charge-Density Analysis
Eduardo C. Escudero-Adan et al.
CHEMPHYSCHEM (2015)
The Bright Future of Unconventional σ/-Hole Interactions
Antonio Bauza et al.
CHEMPHYSCHEM (2015)
Organic fluorines as halogen bond donors: Theoretical study and crystallographic evidence
Yanhua Wang et al.
INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY (2015)
Tetrel, chalcogen, and CH••O hydrogen bonds in complexes pairing carbonyl-containing molecules with 1, 2, and 3 molecules of CO2
Luis M. Azofra et al.
JOURNAL OF CHEMICAL PHYSICS (2015)
Polar Flattening and the Strength of Halogen Bonding
Robert Sedlak et al.
JOURNAL OF CHEMICAL THEORY AND COMPUTATION (2015)
The competition of Yo and Xn halogen bonds to enhance the group V σ-hole interaction in the NCYoPH3NCX and OPH3NCXNCY (X, YF, Cl, and Br) complexes
Wei Li et al.
JOURNAL OF COMPUTATIONAL CHEMISTRY (2015)
Mathematical modeling and physical reality in noncovalent interactions
Peter Politzer et al.
JOURNAL OF MOLECULAR MODELING (2015)
Asymmetric bifurcated halogen bonds
Martin Novak et al.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2015)
Insights into some Diels-Alder cycloadditions via the electrostatic potential and the reaction force constant
Jane S. Murray et al.
COMPUTATIONAL AND THEORETICAL CHEMISTRY (2015)
Halogen bonding interactions in ion pairs versus conventional charge-assisted and neutral halogen bonds: a theoretical study based on imidazolium species
Shaoze Zhang et al.
RSC ADVANCES (2015)
Noncovalent Interaction of Carbon Nanostructures
Deivasigamani Umadevi et al.
ACCOUNTS OF CHEMICAL RESEARCH (2014)
On The Nature of the Halogen Bond
Changwei Wang et al.
JOURNAL OF CHEMICAL THEORY AND COMPUTATION (2014)
A Molecular Electrostatic Potential Analysis of Hydrogen, Halogen, and Dihydrogen Bonds
Neetha Mohan et al.
JOURNAL OF PHYSICAL CHEMISTRY A (2014)
Halogen Bonding: Unifying Perspectives on Organic and Inorganic Cases
Marina Tawfik et al.
JOURNAL OF PHYSICAL CHEMISTRY A (2014)
MOLECULAR RECOGNITION The I's have it
Mark S. Taylor
NATURE CHEMISTRY (2014)
The enhancing effects of group V σ-hole interactions on the F•••O halogen bond
Wei Li et al.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2014)
Statistical analysis of σ-holes: a novel complementary view on halogen bonding
Michal H. Kolar et al.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2014)
The strength and directionality of a halogen bond are co-determined by the magnitude and size of the σ-hole
Michal Kolar et al.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2014)
Halogen bonding interaction of chloromethane with several nitrogen donating molecules: addressing the nature of the chlorine surface σ-hole
Pradeep R. Varadwaj et al.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2014)
Noncovalent interactions in dimers and trimers of SO3 and CO
Luis Miguel Azofra et al.
THEORETICAL CHEMISTRY ACCOUNTS (2014)
Anisotropic Charge Distribution and Anisotropic van der Waals Radius Leading to Intriguing Anisotropic Noncovalent Interactions
Hahn Kim et al.
SCIENTIFIC REPORTS (2014)
Theoretical Insights into the Nature of Halogen Bonding in Prereactive Complexes
J. Grant Hill et al.
CHEMISTRY-A EUROPEAN JOURNAL (2013)
Directional Noncovalent Interactions: Repulsion and Dispersion
Ahmed El Kerdawy et al.
JOURNAL OF CHEMICAL THEORY AND COMPUTATION (2013)
Principles and Applications of Halogen Bonding in Medicinal Chemistry and Chemical Biology
Rainer Wilcken et al.
JOURNAL OF MEDICINAL CHEMISTRY (2013)
Halogen bond tunability II: the varying roles of electrostatic and dispersion contributions to attraction in halogen bonds
Kevin E. Riley et al.
JOURNAL OF MOLECULAR MODELING (2013)
Are Halogen Bonded Structures Electrostatically Driven?
Anthony J. Stone
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2013)
Halogen bonding and other sigma-hole interactions: a perspective
Peter Politzer et al.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2013)
The relative roles of electrostatics and dispersion in the stabilization of halogen bonds
Kevin E. Riley et al.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2013)
Detection and Structure of HOON: Microwave Spectroscopy Reveals an O-O Bond Exceeding 1.9 Å
Kyle N. Crabtree et al.
SCIENCE (2013)
σ-Holes, π-holes and electrostatically-driven interactions
Jane S. Murray et al.
JOURNAL OF MOLECULAR MODELING (2012)
Competition and Interplay between σ-Hole and π-Hole Interactions: A Computational Study of 1:1 and 1:2 Complexes of Nitryl Halides (O2NX) with Ammonia
Mohammad Solimannejad et al.
JOURNAL OF PHYSICAL CHEMISTRY A (2012)
Exploring the atmospheric chemistry of nitrous acid (HONO) at a rural site in Southern China
X. Li et al.
ATMOSPHERIC CHEMISTRY AND PHYSICS (2012)
Combining Bayesian methods and aircraft observations to constrain the HO•+NO2 reaction rate
B. H. Henderson et al.
ATMOSPHERIC CHEMISTRY AND PHYSICS (2012)
The Role of Molecular Electrostatic Potentials in the Formation of a Halogen Bond in Furan•••XY and Thiophene•••XY Complexes
Yanli Zeng et al.
CHEMPHYSCHEM (2011)
ATMOSPHERIC CHEMISTRY The reaction that wouldn't quit
Neil M. Donahue
NATURE CHEMISTRY (2011)
Soil Nitrite as a Source of Atmospheric HONO and OH Radicals
Hang Su et al.
SCIENCE (2011)
Halogen Bonding: A Study based on the Electronic Charge Density
Nancy J. Martinez Amezaga et al.
JOURNAL OF PHYSICAL CHEMISTRY A (2010)
On the Ordering of Orbital Energies in High-Spin ROHF
Kurt R. Glaesemann et al.
JOURNAL OF PHYSICAL CHEMISTRY A (2010)
Halogen bonding: an electrostatically-driven highly directional noncovalent interaction
Peter Politzer et al.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2010)
Rate of Gas Phase Association of Hydroxyl Radical and Nitrogen Dioxide
Andrew K. Mollner et al.
SCIENCE (2010)
Expansion of the σ-hole concept
Jane S. Murray et al.
JOURNAL OF MOLECULAR MODELING (2009)
Long-range corrected hybrid density functionals with damped atom-atom dispersion corrections
Jeng-Da Chai 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)
An overview of halogen bonding
Peter Politzer et al.
JOURNAL OF MOLECULAR MODELING (2007)
Halogen bonding:: the σ-hole
Timothy Clark et al.
JOURNAL OF MOLECULAR MODELING (2007)
Semiempirical GGA-type density functional constructed with a long-range dispersion correction
Stefan Grimme
JOURNAL OF COMPUTATIONAL CHEMISTRY (2006)
Constraining the mechanism and kinetics of OH+NO2 and HO2+NOusing the multiple-well master equation
Jieyuan Zhang et al.
JOURNAL OF PHYSICAL CHEMISTRY A (2006)
The X3LYP extended density functional for accurate descriptions of nonbond interactions, spin states, and thermochemical properties
X Xu et al.
PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA (2004)
Halogen bonds in biological molecules
P Auffinger et al.
PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA (2004)
Accurate reaction paths using a Hessian based predictor-corrector integrator
HP Hratchian et al.
JOURNAL OF CHEMICAL PHYSICS (2004)
Master equation models for the pressure- and temperature-dependant reactions HO+NO2 → HONO2 and HO+NO2 → HOONO
DM Golden et al.
JOURNAL OF PHYSICAL CHEMISTRY A (2003)
Reaction of OH+NO2+M: Kinetic evidence of isomer formation
H Hippler et al.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2002)
Assessing effects of rate parameter changes on ozone models using sensitivity analysis
GP Smith et al.
JOURNAL OF PHYSICAL CHEMISTRY A (2001)
Reaction of OH+NO2+M:: A new view
DM Golden et al.
JOURNAL OF PHYSICAL CHEMISTRY A (2000)
分享论文
