Related references
Note: Only part of the references are listed.Improving the accuracy of GIPAW chemical shielding calculations with cluster and fragment corrections
D. Joshua Hartman et al.
SOLID STATE NUCLEAR MAGNETIC RESONANCE (2022)
Ion pair charge-transfer salts based on protonated bipyridines and [W(CN)6(bpy)]2- anion-structure and properties
Anna Jurowska et al.
JOURNAL OF MOLECULAR STRUCTURE (2022)
Simultaneous Estimation of Two Coupled Hydrogen Bond Geometries from Pairs of Entangled NMR Parameters: The Test Case of 4-Hydroxypyridine Anion
Elena Yu Tupikina et al.
MOLECULES (2022)
Crystal Structure and Optical Properties of New Hybrid Halobismuthates of 2,2'-Bipyridinium Derivatives
S. P. Balabanova et al.
RUSSIAN JOURNAL OF INORGANIC CHEMISTRY (2022)
Structural and physicochemical characterization of ion-pair salts with dipyridyl cations and [Fe(CN)6]4- and [Fe(CN)5(NO)]2- anions
Anna Jurowska et al.
INORGANICA CHIMICA ACTA (2022)
1,3,5-Triaza-7-Phosphaadamantane (PTA) as a 31P NMR Probe for Organometallic Transition Metal Complexes in Solution
Ilya G. Shenderovich
MOLECULES (2021)
Modeling of Solute-Solvent Interactions Using an External Electric Field-From Tautomeric Equilibrium in Nonpolar Solvents to the Dissociation of Alkali Metal Halides
Ilya G. Shenderovich et al.
MOLECULES (2021)
Actual Symmetry of Symmetric Molecular Adducts in the Gas Phase, Solution and in the Solid State
Ilya G. Shenderovich
SYMMETRY-BASEL (2021)
Modeling of the Response of Hydrogen Bond Properties on an External Electric Field: Geometry, NMR Chemical Shift, Spin-Spin Scalar Coupling
Ilya G. Shenderovich et al.
MOLECULES (2021)
Accurate crystal structures and chemical properties from NoSpherA2
Florian Kleemiss et al.
CHEMICAL SCIENCE (2021)
GIAO versus GIPAW: Comparison of Methods To Calculate 11B NMR Shifts of Icosahedral Closo-Heteroboranes toward Boron-Rich Borides
Martin Ludwig et al.
JOURNAL OF PHYSICAL CHEMISTRY A (2020)
Adduct under Field-A Qualitative Approach to Account for Solvent Effect on Hydrogen Bonding
Ilya G. Shenderovich et al.
MOLECULES (2020)
Preparation and structural studies of manganese polychloride anions in three metal charge states [(II), (III), (IV)]-their stereochemistries
Yashiro Rojas et al.
STRUCTURAL CHEMISTRY (2020)
Hydrogen Bond and Other Lewis Acid-Lewis Base Interactions as Preliminary Stages of Chemical Reactions
Slawomir J. Grabowski
MOLECULES (2020)
The Interplay of Nanoconfinement and pH from the Perspective of a Dye-Reporter Molecule
Robert Brilmayer et al.
CHEMNANOMAT (2020)
Electric field effect on 31P NMR magnetic shielding
Ilya G. Shenderovich
JOURNAL OF CHEMICAL PHYSICS (2020)
Symmetry of three-center, four-electron bonds
Ann Christin Reiersolmoen et al.
CHEMICAL SCIENCE (2020)
Local-structure effects on 31P NMR chemical shift tensors in solid state
Ivan Yu. Chernyshov et al.
JOURNAL OF CHEMICAL PHYSICS (2019)
New Basis Set Exchange: An Open, Up-to-Date Resource for the Molecular Sciences Community
Benjamin P. Pritchard et al.
JOURNAL OF CHEMICAL INFORMATION AND MODELING (2019)
Influence of organic cation planarity on structural templating in hybrid metal-halides
Iain W. H. Oswald et al.
DALTON TRANSACTIONS (2019)
Improving Confidence in Crystal Structure Solutions Using NMR Crystallography: The Case of beta-Piroxicam
Andrew S. Tatton et al.
CRYSTAL GROWTH & DESIGN (2018)
Simplified calculation approaches designed to reproduce the geometry of hydrogen bonds in molecular complexes in aprotic solvents
Ilya G. Shenderovich
JOURNAL OF CHEMICAL PHYSICS (2018)
Synthesis and Characterization of Heterometallic Iron-Uranium Complexes with a Bidentate N-Donor Ligand (2,2′-Bipyridine or 1,10-Phenanthroline)
Sebastian Schoene et al.
INORGANIC CHEMISTRY (2018)
Selective P4 Activation by a Highly Reduced Cobaltate: Synthesis of Dicobalt Tetraphosphido Complexes
Stefan Pelties et al.
CHEMISTRY-A EUROPEAN JOURNAL (2017)
NMR Study of Solvation Effect on the Geometry of Proton-Bound Homodimers of Increasing Size
Andrei A. Gurinov et al.
JOURNAL OF PHYSICAL CHEMISTRY A (2017)
Benchmark fragment-based 1H, 13C, 15N and 17O chemical shift predictions in molecular crystals
Joshua D. Hartman et al.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2016)
Interaction between hydrofluorosilicic acid and 1,10-phenanthroline: Hydrolytic stability of chelate complexes of silicon tetrafluoride with bidentate N-donors
V. O. Gel'mbol'dt et al.
RUSSIAN JOURNAL OF INORGANIC CHEMISTRY (2016)
Effect of solvent on proton location and dynamic behavior in short intramolecular hydrogen bonds studied by molecular dynamics simulations and NMR experiments
Yukie Mori et al.
CHEMICAL PHYSICS (2015)
The anatomy of a comprehensive constrained, restrained refinement program for the modern computing environment-Olex2 dissected
Luc J. Bourhis et al.
ACTA CRYSTALLOGRAPHICA A-FOUNDATION AND ADVANCES (2015)
SHELXT - Integrated space-group and crystal-structure determination
George M. Sheldrick
ACTA CRYSTALLOGRAPHICA A-FOUNDATION AND ADVANCES (2015)
A dihydrogen phosphate anionic network as a host lattice for cations in 1-methylpiperazine-1,4-diium bis(dihydrogen phosphate) and 2-(pyridin-2-yl)pyridinium dihydrogen phosphate-orthophosphoric acid (1/1)
R. Jagan et al.
ACTA CRYSTALLOGRAPHICA SECTION C-STRUCTURAL CHEMISTRY (2015)
Segmented Contracted Basis Sets Optimized for Nuclear Magnetic Shielding
Frank Jensen
JOURNAL OF CHEMICAL THEORY AND COMPUTATION (2015)
Halogen bond symmetry: the N-X-N bond
Sebastiaan B. Hakkert et al.
JOURNAL OF PHYSICAL ORGANIC CHEMISTRY (2015)
Photochemistry of deprotonated rhenium(I) (3,3′-dihydroxy-2,2′-bipyridine) tricarbonyl chloride. Photoisomerization at the chelate in basic solution
Arnd Vogler et al.
INORGANICA CHIMICA ACTA (2014)
How Short is the Strongest Hydrogen Bond in the Proton-Bound Homodimers of Pyridine Derivatives?
Andrey A. Gurinov et al.
JOURNAL OF PHYSICAL CHEMISTRY A (2014)
Proton transfer and hydrogen bonding in the organic solid state: a combined XRD/XPS/ssNMR study of 17 organic acid-base complexes
Joanna S. Stevens et al.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2014)
Conjugation effects in a para-nitroaniline molecule and its structural non-rigidity
I. V. Ananyev et al.
RUSSIAN CHEMICAL BULLETIN (2014)
15N chemical shift referencing in solid state NMR
Philippe Bertani et al.
SOLID STATE NUCLEAR MAGNETIC RESONANCE (2014)
Crystal structure of 1,10-phenanthrolindiium bis(triiodide) monohydrate, C12H12I6N2O
Maciej Bujak et al.
ZEITSCHRIFT FUR KRISTALLOGRAPHIE-NEW CRYSTAL STRUCTURES (2014)
2,2-Bipyridine and 1,10-Phenanthroline as Coligands or Structure-Directing Agents in Uranyl-Organic Assemblies with Polycarboxylic Acids
Pierre Thuery
EUROPEAN JOURNAL OF INORGANIC CHEMISTRY (2013)
Sulfonate Complexes of Actinide Ions: Structural Diversity in Uranyl Complexes with 2-Sulfobenzoate
Pierre Thuery
INORGANIC CHEMISTRY (2013)
Interatomic interactions in the crystal of (C4H11N2)2(C4H12N2)[Mo(CN)8]: comparison of two approaches
A. V. Vologzhanina et al.
RUSSIAN CHEMICAL BULLETIN (2013)
Energy Analysis of Competing Non-Covalent Interaction in 1: 1 and 1: 2 Adducts of Collidine with Benzoic Acids by Means of X-Ray Diffraction
Alexandra O. Borissova et al.
ZEITSCHRIFT FUR PHYSIKALISCHE CHEMIE-INTERNATIONAL JOURNAL OF RESEARCH IN PHYSICAL CHEMISTRY & CHEMICAL PHYSICS (2013)
FTIR study of the hydrogen bond symmetry in protonated homodimers of pyridine and collidine in solution
S. M. Melikova et al.
JOURNAL OF MOLECULAR STRUCTURE (2012)
Difference between 1H NMR signals of primary amide protons as a simple spectral index of the amide intramolecular hydrogen bond strength
Nikolay Yu. Gorobets et al.
JOURNAL OF PHYSICAL ORGANIC CHEMISTRY (2012)
Location of protons in N-H•••N hydrogen-bonded systems: a theoretical study on intramolecular pyridine-dihydropyridine and pyridine-pyridinium pairs
Yukie Mori et al.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2012)
On the chemical identification and determination of flavonoids in solid-state
Bojidarka B. Ivanova et al.
TALANTA (2012)
Geometry and Spectral Properties of the Protonated Homodinner of Pyridine in the Liquid and Solid States. A Combined NMR, X-ray Diffraction and Inelastic Neutron Scattering Study
S. Kong et al.
JOURNAL OF PHYSICAL CHEMISTRY A (2011)
Hexafluorophosphate salts of bis and tetrakis(2,2'-bipyridine)lead(II) complexes
Mariappan Kadarkaraisamy et al.
JOURNAL OF COORDINATION CHEMISTRY (2010)
Counteranion-dependent mechanisms of intramolecular proton transfer in aprotic solution
Stepan B. Lesnichin et al.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2010)
Studies of adsorption of 2,2′-bipyridyl on the surface of highly regulated silica matrix of the MCM-41 type by means of 15N NMR spectroscopy
S. B. Lesnichin et al.
RUSSIAN JOURNAL OF GENERAL CHEMISTRY (2010)
OHO Hydrogen Bond Geometries and NMR Chemical Shifts: From Equilibrium Structures to Geometric H/D Isotope Effects, with Applications for Water, Protonated Water, and Compressed Ice
Hans-Heinrich Limbach et al.
ISRAEL JOURNAL OF CHEMISTRY (2009)
OLEX2: a complete structure solution, refinement and analysis program
Oleg V. Dolomanov et al.
JOURNAL OF APPLIED CRYSTALLOGRAPHY (2009)
Hydrogen Bonds between Zwitterions: Intermediate between Classical and Charge-Assisted Ones. A Case Study
Yulia V. Nelyubina et al.
JOURNAL OF PHYSICAL CHEMISTRY A (2009)
What factors determine whether a proton-bound homodimer has a symmetric or an asymmetric hydrogen bond?
Bun Chan et al.
MOLECULAR PHYSICS (2009)
Long-range corrected hybrid density functionals with damped atom-atom dispersion corrections
Jeng-Da Chai et al.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2008)
Further conventions for NMR shielding and chemical shifts IUPAC recommendations 2008 (Reprinted from Pure Appl Chem, vol 80, pg 59, 2008)
Robin K. Harris et al.
SOLID STATE NUCLEAR MAGNETIC RESONANCE (2008)
catena-Poly[1,10-phenanthroline-1,10-diium [[dichloridobismuthate(III)]-di-μ-chlorido]]
Feng Li et al.
ACTA CRYSTALLOGRAPHICA SECTION E-STRUCTURE REPORTS ONLINE (2007)
Qualitative analysis of the geometry of the hydrogen bond in the homoconjugated pyridine ion
I. G. Shenderovich
RUSSIAN JOURNAL OF GENERAL CHEMISTRY (2007)
Geometric H/D isotope effects and cooperativity of the hydrogen bonds in porphycene
Mohamed F. Shibl et al.
CHEMPHYSCHEM (2007)
Geometrical features of hydrogen bonded complexes involving sterically hindered pyridines
Daria V. Andreeva et al.
JOURNAL OF PHYSICAL CHEMISTRY A (2006)
Solid-state acid-base interactions in complexes of heterocyclic bases with dicarboxylic acids:: Crystallography, hydrogen bond analysis, and 15N NMR spectroscopy
Z. Jane Li et al.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2006)
NMR studies of solvent-assisted proton transfer in a biologically relevant Schiff base: Toward a distinction of geometric and equilibrium H-bond isotope effects
S Sharif et al.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2006)
The structural systematics of protonation of some important nitrogen-base ligands. IV - Some ethane-1,2-diaminium univalent anion salt/1,10-phenanthroline (hydrate) arrays
Jarrod H. Buttery et al.
ZEITSCHRIFT FUR ANORGANISCHE UND ALLGEMEINE CHEMIE (2006)
Quantum mechanical continuum solvation models
J Tomasi et al.
CHEMICAL REVIEWS (2005)
2-(2-pyridyl)pyridinium perchlorate, redetermined at 120 K: complex hydrogen-bonded sheets
SJ Kavitha et al.
ACTA CRYSTALLOGRAPHICA SECTION C-STRUCTURAL CHEMISTRY (2005)
Balanced basis sets of split valence, triple zeta valence and quadruple zeta valence quality for H to Rn: Design and assessment of accuracy
F Weigend et al.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2005)
2,2′-Bipyridyl-2-ium aqua(2,2′-bipyridyl-κ2N,N′)tetakis(nitrato-κ2O,O′)praseodymium (III) 2,2′-bipyridyl hemisolvate
IA Charushnikova et al.
ACTA CRYSTALLOGRAPHICA SECTION E-STRUCTURE REPORTS ONLINE (2004)
Comparative assessment of a new nonempirical density functional: Molecules and hydrogen-bonded complexes
VN Staroverov et al.
JOURNAL OF CHEMICAL PHYSICS (2003)
Interpretation of hydrogen/deuterium isotope effects on NMR chemical shifts of [FHF](-) ion based on calculations of nuclear magnetic shielding tensor surface
NS Golubev et al.
ZEITSCHRIFT FUR PHYSIKALISCHE CHEMIE-INTERNATIONAL JOURNAL OF RESEARCH IN PHYSICAL CHEMISTRY & CHEMICAL PHYSICS (2003)
Arene-arene stacking in the revised structure of 2,2′-bipyridinium hexafluorophosphate
F Kraus et al.
ACTA CRYSTALLOGRAPHICA SECTION C-STRUCTURAL CHEMISTRY (2002)
1H/15N NMR chemical shielding, dipolar 15N, 2H coupling and hydrogen bond geometry correlations in a novel series of hydrogen-bonded acid-base complexes of collidine with carboxylic acids
P Lorente et al.
MAGNETIC RESONANCE IN CHEMISTRY (2001)
2,2′-Bipyridinium bis(perchlorate)
GB Ma et al.
ACTA CRYSTALLOGRAPHICA SECTION C-CRYSTAL STRUCTURE COMMUNICATIONS (2000)