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。Tuning tetrel bonds via cation-π interactions: an ab initio study on concerted interaction in M+-C6H5XH3-NCY complexes (M= Li, Na, K; X = Si, Ge; Y = H, F, OH)
Mehdi D. Esrafili et al.
MOLECULAR PHYSICS (2016)
Sulfur-Oxygen Chalcogen Bonding Mediates AdoMet Recognition in the Lysine Methyltransferase SET7/9
Robert J. Fick et al.
ACS CHEMICAL BIOLOGY (2016)
Halogen-bonding for visual chloride ion sensing: a case study using supramolecular poly(aryl ether) dendritic organogel systems
Zhi-Xiong Liu et al.
CHEMICAL COMMUNICATIONS (2016)
Halogen bonding anion recognition
Asha Brown et al.
CHEMICAL COMMUNICATIONS (2016)
Anionic complexes of F- and Cl- with substituted methanes: Hydrogen, halogen, and tetrel bonds
Janet E. Del Bene et al.
CHEMICAL PHYSICS LETTERS (2016)
Chiral Triazoles in Anion-Binding Catalysis: New Entry to Enantioselective Reissert-Type Reactions
Mercedes Zurro et al.
CHEMISTRY-A EUROPEAN JOURNAL (2016)
Building a Better Halide Receptor: Optimum Choice of Spacer, Binding Unit, and Halosubstitution
Binod Nepal et al.
CHEMPHYSCHEM (2016)
σ-Hole Opposite to a Lone Pair: Unconventional Pnicogen Bonding Interactions between ZF3 (Z=N, P, As, and Sb) Compounds and Several Donors
Antonio Bauza et al.
CHEMPHYSCHEM (2016)
Homonuclear chalcogen-chalcogen bond interactions in complexes pairing YO3 and YHX molecules (Y=S, Se; X=H, Cl, Br, CCH, NC, OH, OCH3): Influence of substitution and cooperativity
Mehdi D. Esrafili et al.
INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY (2016)
How Accurate Are the Minnesota Density Functionals for Noncovalent Interactions, Isomerization Energies, Thermochemistry, and Barrier Heights Involving Molecules Composed of Main-Group Elements?
Narbe Mardirossian et al.
JOURNAL OF CHEMICAL THEORY AND COMPUTATION (2016)
In Silico Design of Halogen-Bonding-Based Organocatalyst for Diels-Alder Reaction, Claisen Rearrangement, and Cope-Type Hydroamination
Choon Wee Kee et al.
JOURNAL OF ORGANIC CHEMISTRY (2016)
Catalysis of the Aza-Diels-Alder Reaction by Hydrogen and Halogen Bonds
Vincent de Paul N. Nziko et al.
JOURNAL OF ORGANIC CHEMISTRY (2016)
Enhancing the Reduction Potential of Quinones via Complex Formation
Binod Nepal et al.
JOURNAL OF ORGANIC CHEMISTRY (2016)
Rotational Study of Dimethyl Ether-Chlorotrifluoroethylene: Lone Pair•••π Interaction Links the Two Subunits
Lorenzo Spada et al.
JOURNAL OF PHYSICAL CHEMISTRY A (2016)
Cooperativity in Tetrel Bonds
Marta Marin-Luna et al.
JOURNAL OF PHYSICAL CHEMISTRY A (2016)
How Do Distance and Solvent Affect Halogen Bonding Involving Negatively Charged Donors?
Zhaoqiang Chen et al.
JOURNAL OF PHYSICAL CHEMISTRY B (2016)
Anion Transport with Chalcogen Bonds
Sebastian Benz et al.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2016)
Metal-ion binding via a cyclic network of intramolecular halogen-bonded interactions: a theoretical study
Ruben D. Parra
MOLECULAR PHYSICS (2016)
An ab initio study on competition between pnicogen and chalcogen bond interactions in binary XHS:PH2X complexes (X = F, CI, CCH, COH, CH3, OH, OCH3 and NH2)
Mehdi D. Esrafili et al.
MOLECULAR PHYSICS (2016)
Cooperativity of tetrel bonds tuned by substituent effects
Mehdi D. Esrafili et al.
MOLECULAR PHYSICS (2016)
Comparison of π-hole tetrel bonding with σ-hole halogen bonds in complexes of XCN (X = F, Cl, Br, I) and NH3
Vincent de Paul N. Nziko et al.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2016)
NX•••Y halogen bonds. Comparison with NH•••Y H-bonds and CX•••Y halogen bonds
Binod Nepal et al.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2016)
Modulating intramolecular P•••N pnictogen interactions
Goar Sanchez-Sanz et al.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2016)
Pnicogen bonds or chalcogen bonds: exploiting the effect of substitution on the formation of P•••Se noncovalent bonds
Rahul Shukla et al.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2016)
The effect of a strong cation•••π interaction on a weak selenium•••π interaction: A theoretical study
Mahshid Saberinasab et al.
COMPUTATIONAL AND THEORETICAL CHEMISTRY (2016)
RCH3•••O Interactions in Biological Systems: Are They Trifurcated H-Bonds or Noncovalent Carbon Bonds?
Antonio Bauza et al.
CRYSTALS (2016)
Halogen bonding assisted selective removal of bromide
Sourav Chakraborty et al.
CHEMICAL COMMUNICATIONS (2015)
Halogen bonding-enhanced electrochemical halide anion sensing by redox-active ferrocene receptors
Jason Y. C. Lim et al.
CHEMICAL COMMUNICATIONS (2015)
The ab initio study of halogen and hydrogen σN-bonded para-substituted pyridine ... (X2/XY/HX) complexes
Vladimir Sladek et al.
CHEMICAL PHYSICS LETTERS (2015)
Comparison of hydrogen bonds, halogen bonds, C-H•••π interactions, and C-X •••π interactions using high-level ab initio methods
Kevin E. Riley et al.
CHEMICAL PHYSICS LETTERS (2015)
Competition and cooperativity between tetrel bond and chalcogen bond in complexes involving F2CX (X = Se and Te)
Xin Guo et al.
CHEMICAL PHYSICS LETTERS (2015)
Competitive Halide Binding by Halogen Versus Hydrogen Bonding: Bis-triazole Pyridinium
Binod Nepal et al.
CHEMISTRY-A EUROPEAN JOURNAL (2015)
Competition between Halogen Bonding and π-Hole Interactions Involving Various Donors: The Role of Dispersion Effects
Antonio Bauza et al.
CHEMPHYSCHEM (2015)
Density Functional Theory and Hydrogen Bonds: Are We There Yet?
A. Daniel Boese
CHEMPHYSCHEM (2015)
Anion Receptors Based on Halogen Bonding with Halo-1,2,3-triazoliums
Ronny Tepper et al.
JOURNAL OF ORGANIC CHEMISTRY (2015)
Sulfur Dioxide-Pyridine Dimer. FTIR and Theoretical Evidence for a Low-Symmetry Structure
John W. Keller
JOURNAL OF PHYSICAL CHEMISTRY A (2015)
Substituent Effects on the Binding of Halides by Neutral and Dicationic Bis(triazolium) Receptors
Binod Nepal et al.
JOURNAL OF PHYSICAL CHEMISTRY A (2015)
S•••π Chalcogen Bonds between SF2 or SF4 and C-C Multiple Bonds
Vincent de Paul N. Nziko et al.
JOURNAL OF PHYSICAL CHEMISTRY A (2015)
Comparison of CH•••O, SH•••O, Chalcogen, and Tetrel Bonds Formed by Neutral and Cationic Sulfur-Containing Compounds
Steve Scheiner
JOURNAL OF PHYSICAL CHEMISTRY A (2015)
Chalcogen Bonds in Complexes of SOXY (X, Y = F, Cl) with Nitrogen Bases
Luis Miguel Azofra et al.
JOURNAL OF PHYSICAL CHEMISTRY A (2015)
Cationic Multidentate Halogen-Bond Donors in Halide Abstraction Organocatalysis: Catalyst Optimization by Preorganization
Stefan H. Jungbauer et al.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2015)
Cooperative effects between tetrel bond and other s- hole bond interactions: a comparative investigation
Mehdi D. Esrafili et al.
MOLECULAR PHYSICS (2015)
Assessment of various density functionals for intermolecular N → Sn interactions: The test case of poly(trimethyltin cyanide)
Piotr Matczak
COMPUTATIONAL AND THEORETICAL CHEMISTRY (2015)
Non-additivity of F substituent in enhancing the halogen bond in C6H5I•••NCH
Qingjie Tang et al.
COMPUTATIONAL AND THEORETICAL CHEMISTRY (2015)
Tetrel-Hydride Interaction between XH3F (X = C, Si, Ge, Sn) and HM (M = Li, Na, BeH, MgH)
Qing-Zhong Li et al.
JOURNAL OF PHYSICAL CHEMISTRY A (2015)
Theoretical investigation of the N → Sn coordination in (Me3SnCN)2
Piotr Matczak
STRUCTURAL CHEMISTRY (2015)
Iodide-Induced Shuttling of a Halogen- and Hydrogen-Bonding Two-Station Rotaxane
Antonio Caballero et al.
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION (2014)
Non-covalent sp3 carbon bonding with ArCF3 is analogous to CH-π interactions
Antonio Bauza et al.
CHEMICAL COMMUNICATIONS (2014)
Sigma-hole cooperativity in anionic [FX•••CH3•••YF]- (X, Y = Cl, Br) complexes
Sean A. C. McDowell
CHEMICAL PHYSICS LETTERS (2014)
Halotriazolium Axle Functionalised [2]Rotaxanes for Anion Recognition: Investigating the Effects of Halogen-Bond Donor and Preorganisation
James M. Mercurio et al.
CHEMISTRY-A EUROPEAN JOURNAL (2014)
Quantum Mechanical Calculation of Noncovalent Interactions: A Large-Scale Evaluation of PMx, DFT, and SAPT Approaches
Amanda Li et al.
JOURNAL OF CHEMICAL THEORY AND COMPUTATION (2014)
The X-C•••π (X = F, Cl, Br, CN) Carbon Bond
Devendra Mani et al.
JOURNAL OF PHYSICAL CHEMISTRY A (2014)
Intramolecular pnicogen interactions in phosphorus and arsenic analogues of proton sponges
Goar Sanchez-Sanz et al.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2014)
Tetrel bond-sigma-hole bond as a preliminary stage of the S(N)2 reaction
Slawomir J. Grabowski
PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2014)
Coupled cluster and density functional investigation of the hydrogen bond between halides, paraffines, olefins, and alkynes
Pablo A. Denis et al.
STRUCTURAL CHEMISTRY (2014)
Mutual interplay between pnicogen bond and dihydrogen bond in HMH•••HCN•••PH2X complexes (M = Be, Mg, Zn; X = H, F, Cl)
Mehdi D. Esrafili et al.
COMPUTATIONAL AND THEORETICAL CHEMISTRY (2014)
Organocatalysis by Neutral Multidentate Halogen-Bond Donors
Florian Kniep et al.
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION (2013)
CH•••π and π•••π interaction in benzene-acetylene clusters
Moumita Majumder et al.
CHEMICAL PHYSICS LETTERS (2013)
Halogen Bonding between Anions and Iodoperfluoroorganics: Solution-Phase Thermodynamics and Multidentate-Receptor Design
Mohammed G. Sarwar et al.
CHEMISTRY-A EUROPEAN JOURNAL (2013)
Experimental and Computational Probes of the Nature of Halogen Bonding: Complexes of Bromine-Containing Molecules with Bromide Anions
Sergiy V. Rosokha et al.
CHEMISTRY-A EUROPEAN JOURNAL (2013)
Halogen- and hydrogen-bonding triazole-functionalised porphyrin-based receptors for anion recognition
Lydia C. Gilday et al.
DALTON TRANSACTIONS (2013)
Intricacies of Describing Weak Interactions Involving Halogen Atoms within Density Functional Theory
Manuel Doemer et al.
JOURNAL OF CHEMICAL THEORY AND COMPUTATION (2013)
Halogen Bonds: Benchmarks and Theoretical Analysis
Sebastian Kozuch et al.
JOURNAL OF CHEMICAL THEORY AND COMPUTATION (2013)
On the Reliability of Pure and Hybrid DFT Methods for the Evaluation of Halogen, Chalcogen, and Pnicogen Bonds Involving Anionic and Neutral Electron Donors
Antonio Bauza et al.
JOURNAL OF CHEMICAL THEORY AND COMPUTATION (2013)
Directional Noncovalent Interactions: Repulsion and Dispersion
Ahmed El Kerdawy et al.
JOURNAL OF CHEMICAL THEORY AND COMPUTATION (2013)
Influence of the Substituents on the CH...π Interaction: Benzene-Methane Complex
S. Karthikeyan et al.
JOURNAL OF PHYSICAL CHEMISTRY A (2013)
Significant Strength of Charged DNA-Protein π-π Interactions: A Preliminary Study of Cytosine
Rachael A. Wells et al.
JOURNAL OF PHYSICAL CHEMISTRY B (2013)
Assessment of binding energies of atmospherically relevant clusters
Jonas Elm et al.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2013)
Performance of conventional and dispersion-corrected density-functional theory methods for hydrogen bonding interaction energies
Gino A. DiLabio et al.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2013)
Unexpected strong stacking interactions between the homogeneous dimers of C6FxI(6-x) (x=0, 1, 2, 3, 4 and 5)
Weizhou Wang et al.
COMPUTATIONAL AND THEORETICAL CHEMISTRY (2013)
A Halogen-Bonding Catenane for Anion Recognition and Sensing
Antonio Caballero et al.
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION (2012)
A triple helical structure supported solely by C-H center dot center dot center dot O hydrogen bonding
Kwang-Ming Lee et al.
CHEMICAL COMMUNICATIONS (2012)
Halogen-Bonding Interactions with π Systems: CCSD(T), MP2, and DFT Calculations
Alessandra Forni et al.
CHEMPHYSCHEM (2012)
Isothermal Calorimetric Titrations on Charge-Assisted Halogen Bonds: Role of Entropy, Counterions, Solvent, and Temperature
Sebastian M. Walter et al.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2012)
A high level computational study of the CH4/CF4 dimer: how does it compare with the CH4/CH4 and CF4/CF4 dimers?
Matthew J. Biller et al.
MOLECULAR PHYSICS (2012)
Effects of multiple substitution upon the P•••N noncovalent interaction
Steve Scheiner
CHEMICAL PHYSICS (2011)
Can two trivalent N atoms engage in a direct N•••N noncovalent interaction?
Steve Scheiner
CHEMICAL PHYSICS LETTERS (2011)
Abilities of Different Electron Donors (D) to Engage in a P•••D Noncovalent Interaction
Steve Scheiner et al.
JOURNAL OF PHYSICAL CHEMISTRY A (2011)
Anion Receptors Composed of Hydrogen- and Halogen-Bond Donor Groups: Modulating Selectivity With Combinations of Distinct Noncovalent Interacitons
Michael G. Chudzinski et al.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2011)
Characteristics and nature of halogen bonds in linear clusters of NCX (X = Cl, and Br): an ab initio, NBO and QTAIM study
Mehdi D. Esrafili et al.
MOLECULAR PHYSICS (2011)
The structure and interaction energies of the weak complexes of CHClF2 and CHF3 with HCCH: a test of density functional theory methods
Mark A. Vincent et al.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2011)
Halogen Bond Anion Templated Assembly of an Imidazolium Pseudorotaxane
Christopher J. Serpell et al.
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION (2010)
Further analysis and comparative study of intermolecular interactions using dimers from the S22 database
Laszlo Fusti Molnar et al.
JOURNAL OF CHEMICAL PHYSICS (2009)
Investigations into the nature of halogen bonding including symmetry adapted perturbation theory analyses
Kevin E. Riley et al.
JOURNAL OF CHEMICAL THEORY AND COMPUTATION (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)
Basis set exchange: A community database for computational sciences
Karen L. Schuchardt et al.
JOURNAL OF CHEMICAL INFORMATION AND MODELING (2007)
Insights into the strength and origin of halogen bonding: The halobenzene-formaldehyde dimer
Kevin E. Riley et al.
JOURNAL OF PHYSICAL CHEMISTRY A (2007)
Halogen bonds in biological molecules
P Auffinger et al.
PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA (2004)
Characterization of intramolecular hydrogen bonds and competitive chalcogen-chalcogen interactions on the basis of the topology of the charge density
P Sanz et al.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2003)
Nanotube formation favored by chalcogen-chalcogen interactions
DB Werz et al.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2002)
Quantitative evaluation of weak nonbonded Se•••F interactions and their remarkable nature as orbital interactions
M Iwaoka et al.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2002)
Molecular complexes between silicon derivatives and electron-rich groups
I Alkorta et al.
JOURNAL OF PHYSICAL CHEMISTRY A (2001)
Charge-transfer complexes between NH3 and the halogens F2, ClF, and Cl2:: An ab initio study on the intermolecular interaction
A Karpfen
JOURNAL OF PHYSICAL CHEMISTRY A (2000)
分享论文
