[PDF][PDF] Macromolecular structure determination using X-rays, neutrons and electrons: recent developments in Phenix
D Liebschner, PV Afonine, ML Baker… - … Section D: Structural …, 2019 - journals.iucr.org
Diffraction (X-ray, neutron and electron) and electron cryo-microscopy are powerful methods
to determine three-dimensional macromolecular structures, which are required to …
to determine three-dimensional macromolecular structures, which are required to …
Chemical bonding in transition metal carbonyl clusters: complementary analysis of theoretical and experimental electron densities.
P Macchi, A Sironi - Coordination chemistry reviews, 2003 - Elsevier
In the last few years, the quantum theory of atoms in molecules has become the paradigm
for interpreting theoretical and experimental electron density distributions. Within this …
for interpreting theoretical and experimental electron density distributions. Within this …
Hydrogen bond strengths revealed by topological analyses of experimentally observed electron densities
Interatomic interactions such as hydrogen bonds (HB) can be adequately described and
classified by the topological properties of the electron density ρ (r) at the (3,− 1) critical points …
classified by the topological properties of the electron density ρ (r) at the (3,− 1) critical points …
[图书][B] Thermoelectrics handbook: macro to nano
DM Rowe - 2018 - books.google.com
Ten years ago, DM Rowe introduced the bestselling CRC Handbook of Thermoelectrics to
wide acclaim. Since then, increasing environmental concerns, desire for long-life electrical …
wide acclaim. Since then, increasing environmental concerns, desire for long-life electrical …
[PDF][PDF] Quantitative analysis of intermolecular interactions in orthorhombic rubrene
VR Hathwar, M Sist, MRV Jørgensen, AH Mamakhel… - IUCrJ, 2015 - journals.iucr.org
Rubrene is one of the most studied organic semiconductors to date due to its high charge
carrier mobility which makes it a potentially applicable compound in modern electronic …
carrier mobility which makes it a potentially applicable compound in modern electronic …
C− H⊙⊙⊙ F Interactions in the crystal structures of some fluorobenzenes
VR Thalladi, HC Weiss, D Bläser, R Boese… - Journal of the …, 1998 - ACS Publications
The existence and nature of C− H⊙⊙⊙ F− C interactions in crystalline fluorobenzenes 1− 3
and 7− 10 are discussed. These compounds were chosen because they contain only C, H …
and 7− 10 are discussed. These compounds were chosen because they contain only C, H …
Can X-ray data distinguish bonding effects from vibrational smearing?
FL Hirshfeld - Acta Crystallographica Section A: Crystal Physics …, 1976 - journals.iucr.org
The frequent practice of combining X-ray and neutron diffraction for distinguishing
vibrational smearing from charge deformation due to chemical bonding is neither necessary …
vibrational smearing from charge deformation due to chemical bonding is neither necessary …
A topological theory of molecular structure
RFW Bader, TT Nguyen-Dang… - Reports on Progress in …, 1981 - iopscience.iop.org
A theory of molecular structure is presented. The theory demonstrates that the concepts of
atoms and bonds may be rigorously defined and given physical expression in terms of the …
atoms and bonds may be rigorously defined and given physical expression in terms of the …
Structure of a fluid dioleoylphosphatidylcholine bilayer determined by joint refinement of x-ray and neutron diffraction data. III. Complete structure
We present in this paper the complete structure of 1, 2-dioleoyl-sn-glycero-3-
phosphocholine (DOPC) in the L alpha phase (66% RH, 23 degrees C) obtained by the joint …
phosphocholine (DOPC) in the L alpha phase (66% RH, 23 degrees C) obtained by the joint …
Advances in protein and small-molecule charge-density refinement methods using MoPro
With an increasing number of biological macromolecule structures solved at ultra-high
resolution and with the advances of supramolecular chemistry, it becomes necessary to …
resolution and with the advances of supramolecular chemistry, it becomes necessary to …