scholarly journals Water structure around vitamin B12coenzyme: a characterisation by neutron/X-ray diffraction and computer simulation

1981 ◽  
Vol 37 (a1) ◽  
pp. C53-C53
Author(s):  
H. F. J. Savage ◽  
J. L. Finney ◽  
P. F. Lindley ◽  
P. Barnes
Keyword(s):  
Computer Simulation ◽  
Water Structure ◽  
X Ray Diffraction ◽  
X Ray

scholarly journals COMPUTER SIMULATION OF X-RAY DIFFRACTION PROFILES AND TEM DIFFRACTION PATTERNS ON ORDERING FOR Cu-4wt%Ti ALLOY

2000 ◽  
Vol 49 (5) ◽  
pp. 926
Author(s):  
WANG LIU-DING ◽  
CHEN CHANG-LE ◽  
LIU LIN ◽  
KANG MO-KUANG ◽  
JI BANG-JIE ◽  
...  
Keyword(s):  
Computer Simulation ◽  
Ti Alloy ◽  
X Ray Diffraction ◽  
X Ray ◽  
Diffraction Patterns

Water Structure and Dynamics in Smectites: X-ray Diffraction and 2H NMR Spectroscopy of Mg–, Ca–, Sr–, Na–, Cs–, and Pb–Hectorite

2016 ◽  
Vol 120 (16) ◽  
pp. 8863-8876 ◽  
Author(s):  
U. Venkateswara Reddy ◽  
Geoffrey M. Bowers ◽  
Narasimhan Loganathan ◽  
Mark Bowden ◽  
A. Ozgur Yazaydin ◽  
...  
Keyword(s):  
Nmr Spectroscopy ◽  
Water Structure ◽  
2H Nmr ◽  
X Ray Diffraction ◽  
X Ray ◽  
2H Nmr Spectroscopy ◽  
Structure And Dynamics

The Structure of Aqueous Electrolyte Solutions: Comparis on of Computer Simulation and Experiment

1991 ◽  
Vol 46 (1-2) ◽  
pp. 100-106 ◽  
Author(s):  
G. W. Neilson
Keyword(s):  
Computer Simulation ◽  
Aqueous Electrolyte ◽  
Electrolyte Solutions ◽  
Distribution Functions ◽  
X Ray Diffraction ◽  
X Ray ◽  
Alkali Ions ◽  
Ion Structure ◽  
Aqueous Electrolyte Solutions ◽  
Simulation And Experiment

AbstractThis review compares results of neutron and X-ray diffraction experiments with computer simulation and theoretical calculation for aqueous electrolyte solutions at the atomic level in terms of the partial radial distribution functions of several ionic solutions, and includes results for the ion-water and ion-ion structure of systems containing alkali ions, alkaline earth ions, transition metal cations and a few anions

Investigation of hexakis[2-formylphenoxy]cyclotriphosphazene structure by single crystal X-ray diffraction and computer simulation

2020 ◽  
Vol 1208 ◽  
pp. 127896 ◽  
Author(s):  
Mikhail F. Bobrov ◽  
Mikhail I. Buzin ◽  
Petr V. Primakov ◽  
Evgeniy M. Chistyakov
Keyword(s):  
Computer Simulation ◽  
Single Crystal ◽  
X Ray Diffraction ◽  
X Ray
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