Combining heteronuclear correlation NMR with spin-diffusion to detect relayed Cl-H-H and N-H-H proximities in molecular solids

Article Chemistry, Multidisciplinary

Resolving Atomic-Scale Interactions in Nonfullerene Acceptor Organic Solar Cells with Solid-State NMR Spectroscopy, Crystallographic Modelling, and Molecular Dynamics Simulations

Benjamin R. Luginbuhl et al.

Summary: This study introduces a combined method to elucidate atomic-scale interactions in Y6 crystals, thin films, and PM6:Y6 blends, providing insights into the application of NFAs in high-performance organic solar cells.

ADVANCED MATERIALS (2022)

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Article Chemistry, Physical

Indirect NMR detection via proton of nuclei subject to large anisotropic interactions, such as 14N, 195Pt, and 35Cl, using the T-HMQC sequence

Racha Bayzou et al.

Summary: Recently, the T-hetero-nuclear multiple quantum coherence (T-HMQC) sequence using the TRAPDOR recoupling has been introduced for the indirect detection of quadrupolar nuclei via protons in solids. The sequence is simple and has low noise, making it applicable for detecting nuclei subject to large chemical shift anisotropy. The study also presents a proton detection method for double-quantum coherences of N-14 nuclei using this sequence. The article derives the Hamiltonian describing the spin dynamics during the TRAPDOR recoupling and analyzes the factors affecting the efficiency of the T-HMQC sequence.

JOURNAL OF CHEMICAL PHYSICS (2022)

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Article Chemistry, Multidisciplinary

Structural insights into Lewis acid- and F4TCNQ-doped conjugated polymers by solid-state magnetic resonance spectroscopy

Alana L. Dixon et al.

Summary: Molecular doping strategies can greatly enhance the charge carrier mobility of organic semiconductors. Understanding the mechanisms and constraints related to material energy levels is crucial for developing versatile dopants for organic semiconductors. Using short-range techniques like solid-state NMR and EPR spectroscopy, this study analyzed the local structures and interactions within dopant-polymer blends, revealing complex morphology and varying efficiencies associated with different dopants.

MATERIALS HORIZONS (2022)

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Review Chemistry, Multidisciplinary

Solid-State NMR: Methods for Biological Solids

Sahil Ahlawat et al.

Summary: In the past two decades, solid-state nuclear magnetic resonance (ssNMR) spectroscopy has evolved from investigating small molecules and industrial polymers to decrypting complex biological systems. This transformation is due to improvements in hardware design, sample preparation, and sensitivity. This review discusses state-of-the-art ssNMR methods and recent developments in signal filtering, proton methodologies, and data acquisition speed in fast magic-angle spinning (MAS) systems.

CHEMICAL REVIEWS (2022)

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Article Chemistry, Physical

Understanding Instability in Formamidinium Lead Halide Perovskites: Kinetics of Transformative Reactions at Grain and Subgrain Boundaries

Parth Raval et al.

Summary: This study investigates the moisture-induced transformative reactions in formamidinium-based perovskites and shows that the ambient stability of these materials can be adjusted by various factors. The effects of water vapor, particle size, and light illumination on the kinetic pathways of the phase transformation are analyzed, and the different kinetics of the transformation at grain and subgrain boundaries are studied. Insights into the structures and dynamics of the trapped phases are obtained using solid-state NMR spectroscopy.

ACS ENERGY LETTERS (2022)

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Review Chemistry, Multidisciplinary

Solid-State NMR: Methods for Biological Solids

Sahil Ahlawat et al.

Summary: In the last two decades, solid-state nuclear magnetic resonance (ssNMR) spectroscopy has evolved from investigating small molecules and industrial polymers to decoding complex biological systems. Improvements in hardware design, sample preparation, and various techniques have increased the efficiency and accuracy of ssNMR in biological samples.

CHEMICAL REVIEWS (2022)

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Article Chemistry, Physical

Dynamic Motion of Organic Spacer Cations in Ruddlesden-Popper Lead Iodide Perovskites Probed by Solid-State NMR Spectroscopy

Clayton J. Dahlman et al.

Summary: Layered hybrid organic-inorganic perovskites, such as the lead halide Ruddlesden-Popper (RP) series, exhibit tunable optoelectronic properties due to dynamic interactions between the ionic perovskite substructure and organic spacer cations. Solid-state NMR spectroscopy was used to characterize the static and dynamic structures of linear alkylammonium and aromatic spacers in lead iodide RP phases, revealing different site-specific rigidity trends for short and long spacers. The study highlights the interplay between spacer interactions with lead iodide octahedra and van der Waals forces in contributing to a variety of site-specific dynamics and structural distortions at intermediate time scales.

CHEMISTRY OF MATERIALS (2021)

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Review Chemistry, Analytical

Solid-state NMR spectroscopy in pharmaceutical sciences

Mingyue Li et al.

Summary: Solid-state NMR spectroscopy provides unique and comprehensive perspectives for analyzing pharmaceutical materials, offering insights into physiochemical stability and structural attributes of drug substances and products.

TRAC-TRENDS IN ANALYTICAL CHEMISTRY (2021)

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Article Chemistry, Multidisciplinary

Synergy of Solid-State NMR, Single-Crystal X-ray Diffraction, and Crystal Structure Prediction Methods: A Case Study of Teriflunomide (TFM)

Tomasz Pawlak et al.

Summary: This work presents the X-ray diffraction crystal structure and spectral properties of a new, room-temperature polymorph of teriflunomide for the first time, along with insights into the thermal transitions and torsional angle differences between the low-temperature and room-temperature structures. The study demonstrates the combination of experiments, such as DSC, X-ray diffraction, and MAS NMR, with DFT calculations to probe and understand the solid-state landscape, particularly the role of dynamics, in pharmaceutical molecules.

CRYSTAL GROWTH & DESIGN (2021)

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Article Chemistry, Physical

Nanoscale Surface Compositions and Structures of Plasma-Modified Poly(ethylene terephthalate) Thin Films

G. N. Manjunatha Reddy et al.

Summary: The nanoscale compositions and structures of plasma-modified polymer surfaces greatly affect the barrier properties of thin films. Advanced techniques such as solid-state NMR spectroscopy with DNP enhancement, XPS, and FT-IR analyses offer detailed insights into the compositions and properties of these surfaces. Understanding the subsurface compositions and structures is crucial for optimizing the gas barrier properties of plasma-modified polymer films.

JOURNAL OF PHYSICAL CHEMISTRY C (2021)

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Article Chemistry, Multidisciplinary

35Cl-1H Heteronuclear correlation magic-angle spinning nuclear magnetic resonance experiments for probing pharmaceutical salts

Dinu Iuga et al.

Summary: Heteronuclear multiple-quantum coherence (HMQC) pulse sequences were investigated for establishing correlation between Cl-35 and H-1 nuclei in chloride salts under high-field solid-state nuclear magnetic resonance (NMR). Different recoupling methods and experimental techniques were compared to study the orientation-dependent changes in the second-order quadrupolar-broadened Cl-35 MAS NMR lineshape. Two-dimensional NMR spectra were obtained for various chloride salts, showing some discrepancies between experimental observations and simulated values.

MAGNETIC RESONANCE IN CHEMISTRY (2021)

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Article Biochemistry & Molecular Biology

Structure Solution of Nano-Crystalline Small Molecules Using MicroED and Solid-State NMR Dipolar-Based Experiments

Nghia Tuan Duong et al.

Summary: MicroED is used to solve structures of sub-micrometer crystals, but the high R factor makes it difficult to locate hydrogens and assign nuclei with close atomic numbers. By combining microED and ssNMR experiments with spin dynamics numerical simulations, this study provides a method for natural abundance samples.

MOLECULES (2021)

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Article Multidisciplinary Sciences

Structure determination of an amorphous drug through large-scale NMR predictions

Manuel Cordova et al.

Summary: By combining dynamic nuclear polarization-enhanced solid-state NMR experiments with predicted shifts for MD simulations of large systems, the researchers successfully determined the atomic-level structure of the hydrated amorphous drug AZD5718.

NATURE COMMUNICATIONS (2021)

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Article Chemistry, Multidisciplinary

Cooperative Self-Assembly Driven by Multiple Noncovalent Interactions: Investigating Molecular Origin and Reassessing Characterization

Samaresh Samanta et al.

Summary: Cooperative interactions are crucial in programmable supramolecular assembly, which relies heavily on empirical knowledge. Developing cooperativity as a rational design tool in molecular self-assembly requires a detailed characterization of the underlying interactions, which poses a challenge for assemblies lacking long-range order.

ACS CENTRAL SCIENCE (2021)

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Review Chemistry, Multidisciplinary

NMR spectroscopy probes microstructure, dynamics and doping of metal halide perovskites

Dominik J. Kubicki et al.

Summary: This article discusses the application of solid-state magic-angle spinning NMR spectroscopy in metal halide perovskites and its unique insights into related compounds. It also examines the applicability, feasibility, and limitations of solid-state NMR in experiments, highlighting the pivotal role of solid-state mechanosynthesis in NMR studies.

NATURE REVIEWS CHEMISTRY (2021)

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Article Energy & Fuels

Insights into Bulk-Heterojunction Organic Solar Cells Processed from Green Solvent

Zhifang Du et al.

Summary: By comparing the effects of green solvents with traditional solvents on the structure and performance of organic solar cells, this study found that devices processed with green solvents have longer charge carrier lifetimes and faster charge carrier extraction speeds.

SOLAR RRL (2021)

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Article Chemistry, Multidisciplinary

Nanoscale interfacial engineering enables highly stable and efficient perovskite photovoltaics

Anurag Krishna et al.

Summary: A molecular-level interface engineering strategy using a multifunctional ligand 2,5-thiophenedicarboxylic acid is presented to enhance the long-term operational and thermal stability of perovskite solar cells (PSCs). The solar cells achieved high operational stability and stabilized power conversion efficiency over 23% after prolonged testing, with insights into the modulation of grain boundaries, local density of states, surface bandgap, and interfacial recombination. Chemical analysis revealed that molecular passivation suppresses interfacial ion diffusion and inhibits irreversible degradation of perovskite, suggesting potential for expedited development of stable PSCs.

ENERGY & ENVIRONMENTAL SCIENCE (2021)

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Review Chemistry, Physical

Interfaces in metal halide perovskites probed by solid-state NMR spectroscopy

Clayton J. Dahlman et al.

Summary: Metal halide perovskites (MHPs) are promising materials for light harvesting and emitting, with improvements in characterization methods and engineering interfaces leading to stable and efficient optoelectronic devices.

JOURNAL OF MATERIALS CHEMISTRY A (2021)

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Article Chemistry, Physical

Suppressing 1H Spin Diffusion in Fast MAS Proton Detected Heteronuclear Correlation Solid-State NMR Experiments

Amrit Venkatesh et al.

SOLID STATE NUCLEAR MAGNETIC RESONANCE (2020)

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Article Chemistry, Multidisciplinary

Fast Acquisition of Proton-Detected HETCOR Solid-State NMR Spectra of Quadrupolar Nuclei and Rapid Measurement of NH Bond Lengths by Frequency Selective HMQC and RESPDOR Pulse Sequences

Anuradha V. Wijesekara et al.

CHEMISTRY-A EUROPEAN JOURNAL (2020)

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Article Chemistry, Physical

Self-Assembly of DNA and RNA Building Blocks Explored by Nitrogen-14 NMR Crystallography: Structure and Dynamics

Diego Carnevale et al.

CHEMPHYSCHEM (2020)

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Article Chemistry, Physical

Selective detection of active pharmaceutical ingredients in tablet formulations using solid-state NMR spectroscopy

You-lee Hong et al.

SOLID STATE NUCLEAR MAGNETIC RESONANCE (2020)

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Article Chemistry, Physical

High-Resolution NMR of S=3/2 Quadrupole Nuclei by Detection of Double-Quantum Satellite Transitions via Protons

Ivan Hung et al.

JOURNAL OF PHYSICAL CHEMISTRY LETTERS (2020)

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Article Chemistry, Multidisciplinary

Observation of Low-γ Quadrupolar Nuclei by Surface-Enhanced NMR Spectroscopy

Hiroki Nagashima et al.

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2020)

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Review Chemistry, Physical

NMR crystallography of molecular organics

Paul Hodgkinson

PROGRESS IN NUCLEAR MAGNETIC RESONANCE SPECTROSCOPY (2020)

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Review Nanoscience & Nanotechnology

Insight into the structures and dynamics of organic semiconductors through solid-state NMR spectroscopy

Martin Seifrid et al.

NATURE REVIEWS MATERIALS (2020)

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Article Chemistry, Multidisciplinary

Noninvasive In Situ NMR Study of Dead Lithium Formation and Lithium Corrosion in Full-Cell Lithium Metal Batteries

Anna B. Gunnarsdottir et al.

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2020)

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Article Materials Science, Biomaterials

14N-1H HMQC solid-state NMR as a powerful tool to study amorphous formulations - an exemplary study of paclitaxel loaded polymer micelles

Marvin Gruene et al.

JOURNAL OF MATERIALS CHEMISTRY B (2020)

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Article Chemistry, Analytical

Three-Dimensional NMR Spectroscopy of Fluorinated Pharmaceutical Solids under Ultrafast Magic Angle Spinning

Xingyu Lu et al.

ANALYTICAL CHEMISTRY (2019)

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Article Chemistry, Multidisciplinary

Understanding the High Performance of over 15% Efficiency in Single-Junction Bulk Heterojunction Organic Solar Cells

Akchheta Karki et al.

ADVANCED MATERIALS (2019)

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Article Multidisciplinary Sciences

Understanding hydrogen-bonding structures of molecular crystals via electron and NMR nanocrystallography

Candelaria Guzman-Afonso et al.

NATURE COMMUNICATIONS (2019)

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Article Biochemical Research Methods

14N overtone NMR under MAS: Signal enhancement using cross polarization methods

Maria Concistre et al.

JOURNAL OF MAGNETIC RESONANCE (2019)

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Article Chemistry, Physical

Quantitative analysis of 14N quadrupolar coupling using 1H detected 14N solid-state NMR

James A. Jarvis et al.

PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2019)

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Review Chemistry, Physical

Advanced solid-state NMR methods for characterising structure and self-assembly in supramolecular chemistry, polymers and hydrogels

Steven P. Brown

CURRENT OPINION IN COLLOID & INTERFACE SCIENCE (2018)

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Article Chemistry, Physical

Fast Magic-Angle-Spinning F-19 Spin Exchange NMR for Determining Nanometer F-19-F-19 Distances in Proteins and Pharmaceutical Compounds

Matthias Roos et al.

JOURNAL OF PHYSICAL CHEMISTRY B (2018)

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Article Chemistry, Physical

Determination of Long-Range Distances by Fast Magic-Angle-Spinning Radiofrequency-Driven F-19-F-19 Dipolar Recoupling NMR

Matthias Roos et al.

JOURNAL OF PHYSICAL CHEMISTRY B (2018)

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Article Chemistry, Physical

A one-dimensional solid-state NMR approach for (NH)-N-14/(NH)-N-14 overtone correlation through H-1/H-1 mixing under fast MAS

Manoj Kumar Pandey et al.

PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2018)

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Article Chemistry, Physical

Selective 1H-1H Distance Restraints in Fully Protonated Proteins by Very Fast Magic-Angle Spinning Solid-State NMR

Mukul G. Jain et al.

JOURNAL OF PHYSICAL CHEMISTRY LETTERS (2017)

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Article Chemistry, Multidisciplinary

Self-Polymerization of Dopamine in Acidic Environments without Oxygen

Tung-Po Chen et al.

LANGMUIR (2017)

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Article Chemistry, Multidisciplinary

Determination of a complex crystal structure in the absence of single crystals: analysis of powder X-ray diffraction data, guided by solid-state NMR and periodic DFT calculations, reveals a new 2′-deoxyguanosine structural motif

Colan E. Hughes et al.

CHEMICAL SCIENCE (2017)

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Review Chemistry, Multidisciplinary

Understanding Surface and Interfacial Chemistry in Functional Nanomaterials via Solid-State NMR

Alessandro Marchetti et al.

ADVANCED MATERIALS (2017)

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Article Chemistry, Analytical

Fast Magic-Angle Spinning Three-Dimensional NMR Experiment for Simultaneously Probing H-H and N-H Proximities in Solids

G. N. Manjunatha Reddy et al.

ANALYTICAL CHEMISTRY (2016)

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Article Biochemistry & Molecular Biology

Accelerating proton spin diffusion in perdeuterated proteins at 100 kHz MAS

Johannes J. Wittmann et al.

JOURNAL OF BIOMOLECULAR NMR (2016)

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Article Chemistry, Physical

Improved transfer efficiencies in radio-frequency-driven recoupling solid-state NMR by adiabatic sweep through the dipolar recoupling condition

Lasse A. Straaso et al.

JOURNAL OF CHEMICAL PHYSICS (2016)

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Article Chemistry, Physical

Two-dimensional proton-detected 35Cl/1H correlation solid-state NMR experiment under fast magic angle sample spinning: application to pharmaceutical compounds

Manoj Kumar Pandey et al.

PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2016)

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Article Chemistry, Multidisciplinary

Interplay of Noncovalent Interactions in Ribbon-like Guanosine Self-Assembly: An NMR Crystallography Study

G. N. Manjunatha Reddy et al.

CRYSTAL GROWTH & DESIGN (2015)

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Article Chemistry, Physical

14N overtone NMR under MAS: signal enhancement using symmetry-based sequences and novel simulation strategies

Ibraheem M. Haies et al.

PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2015)

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Article Chemistry, Physical

An NMR crystallography study of the hemihydrate of 2′, 3′-O-isopropylidineguanosine

G. N. Manjunatha Reddy et al.

SOLID STATE NUCLEAR MAGNETIC RESONANCE (2015)

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Article Chemistry, Multidisciplinary

Magic-Angle-Spinning NMR Techniques for Measuring Long-Range Distances in Biological Macromolecules

MEI HONG et al.

ACCOUNTS OF CHEMICAL RESEARCH (2013)

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Article Biochemical Research Methods

Proton-nitrogen-14 overtone two-dimensional correlation NMR spectroscopy of solid-sample at very fast magic angle sample spinning

Yusuke Nishiyama et al.

JOURNAL OF MAGNETIC RESONANCE (2013)

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Article Chemistry, Physical

Tautomeric and ionisation forms of dopamine and tyramine in the solid state

Laura Cruickshank et al.

JOURNAL OF MOLECULAR STRUCTURE (2013)

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Article Chemistry, Physical

2D 1H/1H RFDR and NOESY NMR Experiments on a Membrane-Bound Antimicrobial Peptide Under Magic Angle Spinning

Ayyalusamy Ramamoorthy et al.

JOURNAL OF PHYSICAL CHEMISTRY B (2013)

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Article Chemistry, Physical

Mesoporous Silica Nanoparticles Loaded with Surfactant: Low Temperature Magic Angle Spinning 13C and 29Si NMR Enhanced by Dynamic Nuclear Polarization

Olivier Lafon et al.

JOURNAL OF PHYSICAL CHEMISTRY C (2013)

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Article Chemistry, Multidisciplinary

A General Protocol for Determining the Structures of Molecularly Ordered but Noncrystalline Silicate Frameworks

Darren H. Brouwer et al.

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2013)

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Article Chemistry, Multidisciplinary

Probing intermolecular interactions and nitrogen protonation in pharmaceuticals by novel N-15-edited and 2D N-14-H-1 solid-state NMR

Andrew S. Tatton et al.

CRYSTENGCOMM (2012)

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Article Chemistry, Physical

Observation of proximities between spin-1/2 and quadrupolar nuclei: Which heteronuclear dipolar recoupling method is preferable?

X. Lu et al.

JOURNAL OF CHEMICAL PHYSICS (2012)

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Article Chemistry, Physical

Applications of high-resolution 1H solid-state NMR

Steven P. Brown

SOLID STATE NUCLEAR MAGNETIC RESONANCE (2012)

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Article Biochemical Research Methods

Very fast magic angle spinning H-1-N-14 2D solid-state NMR: Sub-micro-liter sample data collection in a few minutes

Yusuke Nishiyama et al.

JOURNAL OF MAGNETIC RESONANCE (2011)

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Article Chemistry, Multidisciplinary

Protonation, Tautomerization, and Rotameric Structure of Histidine: A Comprehensive Study by Magic-Angle-Spinning Solid-State NMR

Shenhui Li et al.

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2011)

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Article Chemistry, Multidisciplinary

Structure Calculation from Unambiguous Long-Range Amide and Methyl 1H-1H Distance Restraints for a Microcrystalline Protein with MAS Solid-State NMR Spectroscopy

Rasmus Linser et al.

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2011)

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Article Chemistry, Physical

The PAW/GIPAW approach for computing NMR parameters: A new dimension added to NMR study of solids

Thibault Charpentier

SOLID STATE NUCLEAR MAGNETIC RESONANCE (2011)

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Article Biochemical Research Methods

On the practical aspects of recording wideline QCPMG NMR spectra

Ivan Hung et al.

JOURNAL OF MAGNETIC RESONANCE (2010)

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Article Chemistry, Physical

NMR Crystallography of Campho[2,3-c]pyrazole (Z′=6): Combining High-Resolution 1H-13C Solid-State MAS NMR Spectroscopy and GIPAW Chemical-Shift Calculations

Amy L. Webber et al.

JOURNAL OF PHYSICAL CHEMISTRY A (2010)

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Article Chemistry, Multidisciplinary

Powder Crystallography by Combined Crystal Structure Prediction and High-Resolution 1H Solid-State NMR Spectroscopy

Elodie Salager et al.

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2010)

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Review Chemistry, Physical

Indirect detection of nitrogen-14 in solid-state NMR spectroscopy

Simone Cavadini

PROGRESS IN NUCLEAR MAGNETIC RESONANCE SPECTROSCOPY (2010)

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Article Chemistry, Multidisciplinary

Long-Range Correlations between Aliphatic 13C Nuclei in Protein MAS NMR Spectroscopy

Marvin J. Bayro et al.

ANGEWANDTE CHEMIE-INTERNATIONAL EDITION (2009)

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Article Chemistry, Physical

Indirect Detection via Spin-1/2 Nuclei in Solid State NMR Spectroscopy: Application to the Observation of Proximities between Protons and Quadrupolar Nuclei

Olivier Lafon et al.

JOURNAL OF PHYSICAL CHEMISTRY A (2009)

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Article Chemistry, Physical

Powder NMR crystallography of thymol

Elodie Salager et al.

PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2009)

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Article Chemistry, Physical

Radio frequency-driven recoupling at high magic-angle spinning frequencies: Homonuclear recoupling sans heteronuclear decoupling

Marvin J. Bayro et al.

JOURNAL OF CHEMICAL PHYSICS (2008)

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Article Biochemical Research Methods

3D 1H-13C-14N correlation solid-state NMR spectrum

Renee Siegel et al.

JOURNAL OF MAGNETIC RESONANCE (2008)

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Reprint Chemistry, Physical

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)

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Article Chemistry, Multidisciplinary

Resolving structures from powders by NMR crystallography using combined proton spin diffusion and plane wave DFT calculations

Chris J. Pickard et al.

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2007)

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Article Materials Science, Multidisciplinary

Calculation of NMR chemical shifts for extended systems using ultrasoft pseudopotentials

Jonathan R. Yates et al.

PHYSICAL REVIEW B (2007)

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Article Chemistry, Physical

Proton-detected 14N MAS NMR using homonuclear decoupled rotary resonance

Zhehong Gan et al.

CHEMICAL PHYSICS LETTERS (2007)

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Article Chemistry, Multidisciplinary

Proton-selective 17O-1H distance measurements in fast magic-angle-spinning solid-state NMR spectroscopy for the determination of hydrogen bond lengths

Andreas Brinkmann et al.

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2006)

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Article Biochemical Research Methods

Indirect detection of nitrogen-14 in solids via protons by nuclear magnetic resonance spectroscopy

Simone Cavadini et al.

JOURNAL OF MAGNETIC RESONANCE (2006)

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Article Chemistry, Multidisciplinary

Molecular structure determination in powders by NMR crystallography from proton spin diffusion

Benedicte Elena et al.

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2006)

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Article Chemistry, Multidisciplinary

Powder crystallography by proton solid-state NMR spectroscopy

B Elena et al.

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2005)

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Article Materials Science, Multidisciplinary

All-electron magnetic response with pseudopotentials: NMR chemical shifts

CJ Pickard et al.

PHYSICAL REVIEW B (2001)

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Review Plant Sciences

Long-range 1H-15N heteronuclear shift correlation at natural abundance

GE Martin et al.

JOURNAL OF NATURAL PRODUCTS (2000)

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Combining heteronuclear correlation NMR with spin-diffusion to detect relayed Cl-H-H and N-H-H proximities in molecular solids

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