Structure, energy, vibrational spectrum, and Bader's analysis of π···H hydrogen bonds and H(-δ)···H(+δ) dihydrogen bonds (Q50239533)

28 February 2018

title

Structure, energy, vibrational spectrum, and Bader's analysis of π···H hydrogen bonds and H(-δ)···H(+δ) dihydrogen bonds (English)

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28 February 2018

author name string

Boaz Galdino de Oliveira

series ordinal

1

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28 February 2018

language of work or name

English

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publication date

9 November 2012

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28 February 2018

Physical Chemistry Chemical Physics

published in

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28 February 2018

volume

15

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28 February 2018

issue

1

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28 February 2018

page(s)

37-79

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28 February 2018

Bonded-atom fragments for describing molecular charge densities

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A C Symmetric Nitrate Complex with a Thiophene-Based Tripodal Receptor

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Spectroscopic, structural, and theoretical studies of halide complexes with a urea-based tripodal receptor

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The cooperativity between hydrogen and halogen bond in the XY···HNC···XY (X, Y = F, Cl, Br) complexes.

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THE ATOM AND THE MOLECULE

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Effects of hydrogen bond and solvent polarity on the C=O stretching of bis(2-thienyl)ketone in solution.

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Comment on the comparative use of the electron density and its Laplacian.

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Halogen bonds as orthogonal molecular interactions to hydrogen bonds.

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Halogen bonding: a paradigm in supramolecular chemistry

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A theoretical study of red-shifting and blue-shifting hydrogen bonds occurring between imidazolidine derivatives and PEG/PVP polymers.

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1 reference

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In the pursuit of small "red shift" of C-H stretching vibrational frequency of C-H...pi interactions for benzene dimer: How to amend MP2 calculations to reproduce the experimental results

21 January 2018

1 reference

https://api.crossref.org/works/10.1039%2FC2CP41749A

A correlation between the proton stretching vibration red shift and the hydrogen bond length in polycrystalline amino acids and peptides

21 January 2018

1 reference

https://api.crossref.org/works/10.1039%2FC2CP41749A

Red-, blue-, or no-shift in hydrogen bonds: a unified explanation.

21 January 2018

1 reference

https://api.crossref.org/works/10.1039%2FC2CP41749A

Study of the nature of improper blue-shifting hydrogen bonding and standard hydrogen bonding in the X3CH...OH2 and XH...OH2 complexes (X = F, Cl, Br, I): A correlated Ab initio study.

21 January 2018

1 reference

https://api.crossref.org/works/10.1039%2FC2CP41749A

On the physical origin of blue-shifted hydrogen bonds.

21 January 2018

1 reference

https://api.crossref.org/works/10.1039%2FC2CP41749A

Red- and blue-shifted hydrogen bonds in the cis-trans noncyclic formic acid dimer.

21 January 2018

1 reference

https://api.crossref.org/works/10.1039%2FC2CP41749A

Blue shifts vs red shifts in sigma-hole bonding.

21 January 2018

1 reference

https://api.crossref.org/works/10.1039%2FC2CP41749A

Origin of the OH vibrational blue shift in the LiOH crystal.

21 January 2018

1 reference

https://api.crossref.org/works/10.1039%2FC2CP41749A

Coexistence of dihydrogen, blue- and red-shifting hydrogen bonds in an ultrasmall system: valine

21 January 2018

1 reference

https://api.crossref.org/works/10.1039%2FC2CP41749A

Charge-transfer and the hydrogen bond: spectroscopic and structural implications from electronic structure calculations.

21 January 2018

1 reference

https://api.crossref.org/works/10.1039%2FC2CP41749A

van der Waals Volumes and Radii

21 January 2018

1 reference

https://api.crossref.org/works/10.1039%2FC2CP41749A

21 January 2018

Covalent radii revisited

1 reference

https://api.crossref.org/works/10.1039%2FC2CP41749A

Hydrogen bonding interactions in PN...HX complexes: DFT and ab initio studies of structure, properties and topology.

21 January 2018

1 reference

https://api.crossref.org/works/10.1039%2FC2CP41749A

Experimental Evidence for Intramolecular Blue-Shifting C−H···O Hydrogen Bonding by Matrix-Isolation Infrared Spectroscopy

21 January 2018

1 reference

https://api.crossref.org/works/10.1039%2FC2CP41749A

C-X···π halogen and C-H···π hydrogen bonding: interactions of CF3X (X = Cl, Br, I or H) with ethene and propene.

21 January 2018

1 reference

https://api.crossref.org/works/10.1039%2FC2CP41749A

Does an ethene/benzenium ion complex exist? A discrepancy between B3LYP and MP2 predictions

21 January 2018

1 reference

https://api.crossref.org/works/10.1039%2FC2CP41749A

Diverse world of unconventional hydrogen bonds

21 January 2018

1 reference

https://api.crossref.org/works/10.1039%2FC2CP41749A

First observation of a dihydrogen bond involving the Si-H group in phenol-diethylmethylsilane clusters by infrared-ultraviolet double-resonance spectroscopy

21 January 2018

1 reference

https://api.crossref.org/works/10.1039%2FC2CP41749A

Matrix infrared spectra and density functional calculations of transition metal hydrides and dihydrogen complexes

21 January 2018

1 reference

https://api.crossref.org/works/10.1039%2FC2CP41749A

First investigation of non-classical dihydrogen bonding between an early transition-metal hydride and alcohols: IR, NMR, and DFT approach

21 January 2018

1 reference

https://api.crossref.org/works/10.1039%2FC2CP41749A

Hydrogen bonds determine the structures of the ternary heterocyclic complexes C₂H₄O···2HF, C₂H₅N···2HF and C₂H₄S···2HF: density functional theory and topological calculations

21 January 2018

1 reference

https://api.crossref.org/works/10.1039%2FC2CP41749A

Theoretical calculations of the molecular properties of maleimide and its dimer

21 January 2018

1 reference

https://api.crossref.org/works/10.1039%2FC2CP41749A

Cooperativity between the dihydrogen bond and the NHC hydrogen bond in LiH-(HCN)n Complexes

21 January 2018

1 reference

https://api.crossref.org/works/10.1039%2FC2CP41749A

Hydrogen bonding mediated by key orbital interactions determines hydration enthalpy differences of phosphate water clusters.

21 January 2018

1 reference

https://api.crossref.org/works/10.1039%2FC2CP41749A

Characterization of a trihydrogen bond on the basis of the topology of the electron density

21 January 2018

1 reference

https://api.crossref.org/works/10.1039%2FC2CP41749A

Bond paths are not chemical bonds

21 January 2018

1 reference

https://api.crossref.org/works/10.1039%2FC2CP41749A

C-H...N and C-H...S hydrogen bonds--influence of hybridization on their strength.

21 January 2018

1 reference

https://api.crossref.org/works/10.1039%2FC2CP41749A

21 January 2018

1 reference

https://api.crossref.org/works/10.1039%2FC2CP41749A

Performance of the density matrix functional theory in the quantum theory of atoms in molecules.

21 January 2018

1 reference

https://api.crossref.org/works/10.1039%2FC2CP41749A

Bridging QTAIM with vibrational spectroscopy: the energy of intramolecular hydrogen bonds in DNA-related biomolecules

21 January 2018

1 reference

https://api.crossref.org/works/10.1039%2FC2CP41749A

Partitioning of the molecular density matrix over atoms and bonds

21 January 2018

1 reference

https://api.crossref.org/works/10.1039%2FC2CP41749A

The mapping of electronic energy distributions using experimental electron density.

21 January 2018

1 reference

https://api.crossref.org/works/10.1039%2FC2CP41749A

Structural aspects of interatomic charge-transfer bonding

21 January 2018

1 reference

https://api.crossref.org/works/10.1039%2FC2CP41749A

The two-component quantum theory of atoms in molecules (TC-QTAIM): foundations

21 January 2018

1 reference

https://api.crossref.org/works/10.1039%2FC2CP41749A

An efficient grid-based scheme to compute QTAIM atomic properties without explicit calculation of zero-flux surfaces.

21 January 2018

1 reference

https://api.crossref.org/works/10.1039%2FC2CP41749A

Chemical origin of blue- and redshifted hydrogen bonds: intramolecular hyperconjugation and its coupling with intermolecular hyperconjugation.

21 January 2018

1 reference

https://api.crossref.org/works/10.1039%2FC2CP41749A

Combined experimental and theoretical study on hydrogen-bonded complexes between cyclic ketones, lactones, and lactams with 3,4-dinitrophenol

21 January 2018

1 reference

https://api.crossref.org/works/10.1039%2FC2CP41749A

Characterization of highly unusual NH+-O hydrogen bonding to ester ether oxygen atoms through spectroscopic and computational studies.

21 January 2018

1 reference

https://api.crossref.org/works/10.1039%2FC2CP41749A

Nonclassical carbocations as C-H hydrogen bond donors

21 January 2018

1 reference

https://api.crossref.org/works/10.1039%2FC2CP41749A

An ab initio theoretical prediction: an antiaromatic ring pi-dihydrogen bond accompanied by two secondary interactions in a "wheel with a pair of pedals" shaped complex FH . . . C4H4 . . . HF.

21 January 2018

1 reference

https://api.crossref.org/works/10.1039%2FC2CP41749A

What is the covalency of hydrogen bonding?

21 January 2018

1 reference

https://api.crossref.org/works/10.1039%2FC2CP41749A

The calculation of small molecular interactions by the differences of separate total energies. Some procedures with reduced errors

21 January 2018

1 reference

https://api.crossref.org/works/10.1039%2FC2CP41749A

An appraisal of Poincaré-Hopf relation and application to topography of molecular electrostatic potentials

21 January 2018

1 reference

https://api.crossref.org/works/10.1039%2FC2CP41749A

A recent development in computational chemistry: chemical reactions from first principles molecular dynamics simulations

21 January 2018

1 reference

https://api.crossref.org/works/10.1039%2FC2CP41749A

Computational chemistry and cheminformatics: an essay on the future

21 January 2018

1 reference

https://api.crossref.org/works/10.1039%2FC2CP41749A

Further analysis and comparative study of intermolecular interactions using dimers from the S22 database

21 January 2018

1 reference

https://api.crossref.org/works/10.1039%2FC2CP41749A

Conformations and intermolecular interactions pattern in solid chloroxylenol and triclosan (API of anti-infective agents and drugs). A (35)Cl NQR, (1)H-(14)N NQDR, X-ray and DFT/QTAIM study.

21 January 2018

1 reference

https://api.crossref.org/works/10.1039%2FC2CP41749A

Theoretical study of hydrogen bond interactions of fluvastatin with ι-carrageenan and λ-carrageenan.

21 January 2018

1 reference

https://api.crossref.org/works/10.1039%2FC2CP41749A

QTAIM and ETS-NOCV analyses of intramolecular CH···HC interactions in metal complexes

21 January 2018

1 reference

https://api.crossref.org/works/10.1039%2FC2CP41749A

Intramolecular basis set superposition error as a measure of basis set incompleteness: can one reach the basis set limit without extrapolation?

21 January 2018

1 reference

https://api.crossref.org/works/10.1039%2FC2CP41749A

Accurate interaction energies at density functional theory level by means of an efficient dispersion correction.

21 January 2018

1 reference

https://api.crossref.org/works/10.1039%2FC2CP41749A

Accurate ab initio binding energies of the benzene dimer.

21 January 2018

1 reference

https://api.crossref.org/works/10.1039%2FC2CP41749A

A new scheme for determining the intramolecular seven-membered ring N-H...O=C hydrogen-bonding energies of glycine and alanine peptides

21 January 2018

1 reference

https://api.crossref.org/works/10.1039%2FC2CP41749A

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.

21 January 2018

1 reference

https://api.crossref.org/works/10.1039%2FC2CP41749A

Electronic structure, molecular electrostatic potential and spectral characteristics of pillar[6]arene hosts and their complexes with n-octyltriethylammonium ions

21 January 2018

1 reference

https://api.crossref.org/works/10.1039%2FC2CP41749A

Adhesive force of a single gecko foot-hair.

21 January 2018

1 reference

https://api.crossref.org/works/10.1039%2FC2CP41749A

Van der Waals interactions at metal/organic interfaces at the single-molecule level.

21 January 2018

1 reference

https://api.crossref.org/works/10.1039%2FC2CP41749A

Critical examination of the supermolecule density functional theory calculations of intermolecular interactions

21 January 2018

1 reference

https://api.crossref.org/works/10.1039%2FC2CP41749A

Accurate van der Waals coefficients from density functional theory

21 January 2018

1 reference

https://api.crossref.org/works/10.1039%2FC2CP41749A

Cooperative effects of hydrogen, lithium and halogen bonding on F-H/LiOH2 complexes

21 January 2018

1 reference

https://api.crossref.org/works/10.1039%2FC2CP41749A

Evaluation of the performance of four molecular docking programs on a diverse set of protein-ligand complexes.

21 January 2018

1 reference

https://api.crossref.org/works/10.1039%2FC2CP41749A

An overview of halogen bonding

21 January 2018

1 reference

https://api.crossref.org/works/10.1039%2FC2CP41749A

FCl:PCX complexes: old and new types of halogen bonds.

21 January 2018

1 reference

https://api.crossref.org/works/10.1039%2FC2CP41749A

Unexpected "amphoteric" character of the halogen bond: the charge density study of the co-crystal of N-methylpyrazine iodide with I2.

21 January 2018

1 reference

https://api.crossref.org/works/10.1039%2FC2CP41749A

"Strong" hydrogen bonds in chemistry and biology

21 January 2018

1 reference

https://api.crossref.org/works/10.1039%2FC2CP41749A

Exchange coupling mediated by N-H···Cl hydrogen bonds: experimental and theoretical study of the frustrated magnetic system in bis(o-phenylenediamine)nickel(II) chloride

21 January 2018

1 reference

https://api.crossref.org/works/10.1039%2FC2CP41749A

Calculation of magnetic couplings in hydrogen-bonded Cu(II) complexes using density functional theory.

21 January 2018

1 reference

https://api.crossref.org/works/10.1039%2FC2CP41749A

Interplay between hydrogen bond formation and multicenter pi-electron delocalization: intermolecular hydrogen bonds

21 January 2018

1 reference

https://api.crossref.org/works/10.1039%2FC2CP41749A

HBonanza: a computer algorithm for molecular-dynamics-trajectory hydrogen-bond analysis

21 January 2018

1 reference

https://api.crossref.org/works/10.1039%2FC2CP41749A

Cooperative hydrogen bonding in trimers involving HCN and HBO.

21 January 2018

1 reference

https://api.crossref.org/works/10.1039%2FC2CP41749A

The hydrogen bond in the solid state

21 January 2018

1 reference

https://api.crossref.org/works/10.1039%2FC2CP41749A

The nature of the hydrogen bond: a synthesis from the interacting quantum atoms picture.

21 January 2018

1 reference

https://api.crossref.org/works/10.1039%2FC2CP41749A

Interacting Quantum Atoms: A Correlated Energy Decomposition Scheme Based on the Quantum Theory of Atoms in Molecules.

21 January 2018

1 reference

https://api.crossref.org/works/10.1039%2FC2CP41749A

Application of the quantum theory of atoms in molecules to selected physico-chemical and biophysical problems: focus on correlation with experiment

21 January 2018

1 reference

https://api.crossref.org/works/10.1039%2FC2CP41749A

Can quantum-mechanical calculations yield reasonable estimates of hydrogen-bonding acceptor strength? The case of hydrogen-bonded complexes of methanol.

21 January 2018

1 reference

https://api.crossref.org/works/10.1039%2FC2CP41749A

Covalency of the Hydrogen Bond in Ice: A Direct X-Ray Measurement

21 January 2018

1 reference

https://api.crossref.org/works/10.1039%2FC2CP41749A

Novel halogen-bonded complexes H3NBH3...XY (XY = ClF, ClCl, BrF, BrCl, and BrBr): partially covalent character.

21 January 2018

1 reference

https://api.crossref.org/works/10.1039%2FC2CP41749A

Über das Verhältnis der Heisenberg-Born-Jordanschen Quantenmechanik zu der meinem

21 January 2018

1 reference

https://api.crossref.org/works/10.1039%2FC2CP41749A

Intermolecular Nonbonded Contact Distances in Organic Crystal Structures: Comparison with Distances Expected from van der Waals Radii

21 January 2018

1 reference

https://api.crossref.org/works/10.1039%2FC2CP41749A

Non-covalent polymer assembly using arrays of hydrogen-bonds

21 January 2018

1 reference

https://api.crossref.org/works/10.1039%2FC2CP41749A

Perturbation Theory Approach to Intermolecular Potential Energy Surfaces of van der Waals Complexes

21 January 2018

1 reference

https://api.crossref.org/works/10.1039%2FC2CP41749A

A quantum theory of molecular structure and its applications

21 January 2018

1 reference

https://api.crossref.org/works/10.1039%2FC2CP41749A

The Structure of Proteins

21 January 2018

1 reference

https://api.crossref.org/works/10.1039%2FC2CP41749A

Electronegativity from Avogadro to Pauling: II. Late Nineteenth- and Early Twentieth-Century Developments

21 January 2018

1 reference

https://api.crossref.org/works/10.1039%2FC2CP41749A

The importance of being bonded

21 January 2018

1 reference

https://api.crossref.org/works/10.1039%2FC2CP41749A

Hydrogen-bonded network of hydration water around model solutes

21 January 2018

1 reference

https://api.crossref.org/works/10.1039%2FC2CP41749A

Hydrogen bonds in polymer blends

21 January 2018

1 reference

https://api.crossref.org/works/10.1039%2FC2CP41749A

Intramolecular hydrogen bonding in 2′-deoxyribonucleosides: an AIM topological study of the electronic density

21 January 2018

1 reference

https://api.crossref.org/works/10.1039%2FC2CP41749A

Benzene Forms Hydrogen Bonds with Water

21 January 2018

1 reference

https://api.crossref.org/works/10.1039%2FC2CP41749A

Electrostatically embedded many-body method for dipole moments, partial atomic charges, and charge transfer

21 January 2018

1 reference

https://api.crossref.org/works/10.1039%2FC2CP41749A

How hydrogen bonding affects ligand binding and fluxionality in transition metal complexes: a DFT study on interligand hydrogen bonds involving HF and H2O

21 January 2018

1 reference

https://api.crossref.org/works/10.1039%2FC2CP41749A

A mathematical and computational review of Hartree–Fock SCF methods in quantum chemistry

21 January 2018

1 reference

https://api.crossref.org/works/10.1039%2FC2CP41749A

Density Functionals with Broad Applicability in Chemistry

21 January 2018

1 reference

https://api.crossref.org/works/10.1039%2FC2CP41749A

Solvent Effects on Hydrogen BondsA Theoretical Study

21 January 2018

1 reference

https://api.crossref.org/works/10.1039%2FC2CP41749A

DFT calculations of d0M(NR)(CHtBu)(X)(Y) (M = Mo, W; R = CPh3, 2,6-iPr–C6H3; X and Y = CH2tBu, OtBu, OSi(OtBu)3) olefin metathesis catalysts: structural, spectroscopic and electronic properties

21 January 2018

1 reference

https://api.crossref.org/works/10.1039%2FC2CP41749A

Hydrogen Bonding in 1-Butyl- and 1-Ethyl-3-methylimidazolium Chloride Ionic Liquids

21 January 2018

1 reference

https://api.crossref.org/works/10.1039%2FC2CP41749A

A new 3D molecular structure representation using quantum topology with application to structure–property relationships

21 January 2018

1 reference

https://api.crossref.org/works/10.1039%2FC2CP41749A

Bond Paths as Privileged Exchange Channels

21 January 2018

1 reference

https://api.crossref.org/works/10.1039%2FC2CP41749A

Effect of electron correlation on the topological properties of molecular charge distributions

21 January 2018

1 reference

https://api.crossref.org/works/10.1039%2FC2CP41749A

Identification of Hydroxyl Protons, Determination of Their Exchange Dynamics, and Characterization of Hydrogen Bonding in a Microcrystallin Protein

21 January 2018

1 reference

https://api.crossref.org/works/10.1039%2FC2CP41749A

Direct experimental observation of the hydrogen-bonding network of a glycosidase along its reaction coordinate revealed by atomic resolution analyses of endoglucanase Cel5A

21 January 2018

1 reference

https://api.crossref.org/works/10.1039%2FC2CP41749A

Extended Weak Bonding Interactions in DNA: π-Stacking (Base−Base), Base−Backbone, and Backbone−Backbone Interactions†

21 January 2018

1 reference

https://api.crossref.org/works/10.1039%2FC2CP41749A

Theoretical Investigations of Anion−π Interactions: The Role of Anions and the Nature of π Systems

21 January 2018

1 reference

https://api.crossref.org/works/10.1039%2FC2CP41749A

De novo design approach based on nanorecognition toward development of functional molecules/materials and nanosensors/nanodevices

21 January 2018

1 reference

https://api.crossref.org/works/10.1039%2FC2CP41749A

Rules and trends of metal cation driven hydride-transfer mechanisms in metal amidoboranes

21 January 2018

1 reference

https://api.crossref.org/works/10.1039%2FC2CP41749A

Molecular structure and infrared spectra of the monomeric 3-(methoxy)-1,2-benzisothiazole 1,1-dioxide (methyl pseudosaccharyl ether)

21 January 2018

1 reference

https://api.crossref.org/works/10.1039%2FC2CP41749A

Prediction of molecular properties and molecular spectroscopy with density functional theory: From fundamental theory to exchange-coupling

21 January 2018

1 reference

https://api.crossref.org/works/10.1039%2FC2CP41749A

Molecular Clusters of π-Systems: Theoretical Studies of Structures, Spectra, and Origin of Interaction Energies

21 January 2018

1 reference

https://api.crossref.org/works/10.1039%2FC2CP41749A

A Transferable H-Bonding Correction for Semiempirical Quantum-Chemical Methods

21 January 2018

1 reference

https://api.crossref.org/works/10.1039%2FC2CP41749A

The Quantum Theory of Atoms in Molecules

21 January 2018

1 reference

https://api.crossref.org/works/10.1039%2FC2CP41749A

The first example of a cage critical point in a single ring: A novel twisted α-helical ring topology

21 January 2018

1 reference

https://api.crossref.org/works/10.1039%2FC2CP41749A

Visualizing Internal Stabilization in Weakly Bound Systems Using Atomic Energies: Hydrogen Bonding in Small Water Clusters

21 January 2018

1 reference

https://api.crossref.org/works/10.1039%2FC2CP41749A

Blue-shifted dihydrogen bonds

21 January 2018

1 reference

https://api.crossref.org/works/10.1039%2FC2CP41749A

Hydrogen bonding interactions in cysteine–urea complexes: Theoretical studies of structures, properties and topologies

21 January 2018

1 reference

https://api.crossref.org/works/10.1039%2FC2CP41749A

Comparison of the nature of π and conventional H-bonds: a theoretical investigation

21 January 2018

1 reference

https://api.crossref.org/works/10.1039%2FC2CP41749A

Interaction of the water dimer with π-systems: A theoretical investigation of structures, energies, and vibrational frequencies

21 January 2018

1 reference

https://api.crossref.org/works/10.1039%2FC2CP41749A

Hydrogen-bonding interactions in adrenaline–water complexes: DFT and QTAIM studies of structures, properties, and topologies

21 January 2018

1 reference

https://api.crossref.org/works/10.1039%2FC2CP41749A

Theoretical study on the hydrogen bonding interactions in 1:1 supermolecular complexes of noradrenaline with water

21 January 2018

1 reference

https://api.crossref.org/works/10.1039%2FC2CP41749A

Hydrogen bonding interactions in noradrenaline-DMSO complexes: DFT and QTAIM studies of structure, properties and topology

21 January 2018

1 reference

https://api.crossref.org/works/10.1039%2FC2CP41749A

Density functional theory and topological analysis on the hydrogen bonds in cysteine–propanoic acid complexes

21 January 2018

1 reference

https://api.crossref.org/works/10.1039%2FC2CP41749A

QTAIM Study of Strong H-Bonds with the O−H···A Fragment (A = O, N) in Three-Dimensional Periodical Crystals

21 January 2018

1 reference

https://api.crossref.org/works/10.1039%2FC2CP41749A

Theoretical Investigation of Normal to Strong Hydrogen Bonds

21 January 2018

1 reference

https://api.crossref.org/works/10.1039%2FC2CP41749A

A theoretical investigation of the nature of the π-H interaction in ethene–H2O, benzene–H2O, and benzene–(H2O)2

21 January 2018

1 reference

https://api.crossref.org/works/10.1039%2FC2CP41749A

Some measures for making halogen bonds stronger than hydrogen bonds in H2CS–HOX (X = F, Cl, and Br) complexes

21 January 2018

1 reference

https://api.crossref.org/works/10.1039%2FC2CP41749A

Theory and computing in contemporary coordination chemistry

21 January 2018

1 reference

https://api.crossref.org/works/10.1039%2FC2CP41749A

Blue-Shifted and Red-Shifted Hydrogen Bonds in Hypervalent Rare-Gas FRg−H···Y Sandwiches

21 January 2018

1 reference

https://api.crossref.org/works/10.1039%2FC2CP41749A

A quantum mechanical study of the ionic interactions in model compounds of polyelectrolite–surfactant complexes derived from polypeptides

21 January 2018

1 reference

https://api.crossref.org/works/10.1039%2FC2CP41749A

What is a hydrogen bond? Mutually consistent theoretical and experimental criteria for characterizing H-bonding interactions

21 January 2018

1 reference

https://api.crossref.org/works/10.1039%2FC2CP41749A

Structure, Energetics, and Dynamics of the Nucleic Acid Base Pairs: NonempiricalAb InitioCalculations

21 January 2018

1 reference

https://api.crossref.org/works/10.1039%2FC2CP41749A

Accurate Interaction Energies of Hydrogen-Bonded Nucleic Acid Base Pairs

21 January 2018

1 reference

https://api.crossref.org/works/10.1039%2FC2CP41749A

2 Theoretical studies of hydrogen bonding

21 January 2018

1 reference

https://api.crossref.org/works/10.1039%2FC2CP41749A

H-Densities: A New Concept for Hydrated Molecules

21 January 2018

1 reference

https://api.crossref.org/works/10.1039%2FC2CP41749A

Gas-Phase DNA Oligonucleotide Structures. A QM/MM and Atoms in Molecules Study

21 January 2018

1 reference

https://api.crossref.org/works/10.1039%2FC2CP41749A

Anti-hydrogen bond between chloroform and fluorobenzene

21 January 2018

1 reference

https://api.crossref.org/works/10.1039%2FC2CP41749A

The fluoroform⋯ethylene oxide complex exhibits a C–H⋯O anti-hydrogen bond

21 January 2018

1 reference

https://api.crossref.org/works/10.1039%2FC2CP41749A

Improper, blue-shifting hydrogen bond

21 January 2018

1 reference

https://api.crossref.org/works/10.1039%2FC2CP41749A

First local minimum of the formic acid dimer exhibits simultaneously red-shifted O–H⋯O and improper blue-shifted C–H⋯O hydrogen bonds

21 January 2018

1 reference

https://api.crossref.org/works/10.1039%2FC2CP41749A

The dihydrogen bond in X3C–H⋯H–M complexes (X = F, Cl, Br; M = Li, Na, K). A correlated quantum chemical ab initio and density functional theory study

21 January 2018

1 reference

https://api.crossref.org/works/10.1039%2FC2CP41749A

Hydrogen Bond versus Anti-Hydrogen Bond: A Comparative Analysis Based on the Electron Density Topology

21 January 2018

1 reference

https://api.crossref.org/works/10.1039%2FC2CP41749A

The effect of intramolecular interactions on hydrogen bond acidityElectronic supplementary information (ESI) available: summary of retrained regression using DFT methods. See http://www.rsc.org/suppdata/ob/b3/b300598d/

21 January 2018

1 reference

https://api.crossref.org/works/10.1039%2FC2CP41749A

Noncovalent Interactions: A Challenge for Experiment and Theory

21 January 2018

1 reference

https://api.crossref.org/works/10.1039%2FC2CP41749A

Hydrogen Bonds in Polymer Folding

21 January 2018

1 reference

https://api.crossref.org/works/10.1039%2FC2CP41749A

X-ray diffraction evidence for aromatic π hydrogen bonding to water

21 January 2018

1 reference

https://api.crossref.org/works/10.1039%2FC2CP41749A

A new method of measuring the hydrogen bond stretching frequency νσ of a complex in solution

21 January 2018

1 reference

https://api.crossref.org/works/10.1039%2FC2CP41749A

Defining the hydrogen bond: An account (IUPAC Technical Report)

21 January 2018

1 reference

20 August 2023

https://opencitations.net/index/coci/api/v1/citations/10.1351/PAC-REP-10-01-01

Identifiers

DOI

10.1039/C2CP41749A

1 reference

28 February 2018

1 reference

28 February 2018