| nr |
titel |
auteur |
tijdschrift |
jaar |
jaarg. |
afl. |
pagina('s) |
type |
| 1 |
An insight into real and average structure from diffuse X-ray scattering – a case study
|
Chodkiewicz, Michał Leszek
|
|
2016
|
72 |
4 |
p. 571-583
|
artikel
|
| 2 |
An optimized intermolecular force field for hydrogen-bonded organic molecular crystals using atomic multipole electrostatics
|
Pyzer-Knapp, Edward O.
|
|
2016
|
72 |
4 |
p. 477-487
|
artikel
|
| 3 |
Bond-length distributions for ions bonded to oxygen: alkali and alkaline-earth metals
|
Gagné, Olivier Charles
|
|
2016
|
72 |
4 |
p. 602-625
|
artikel
|
| 4 |
Crystal structure prediction: are we there yet?
|
Cruz-Cabeza, Aurora J.
|
|
2016
|
72 |
4 |
p. 437-438
|
artikel
|
| 5 |
Crystal structure prediction of rigid molecules
|
Elking, Dennis M.
|
|
2016
|
72 |
4 |
p. 488-501
|
artikel
|
| 6 |
Effect of packing motifs on the energy ranking and electronic properties of putative crystal structures of tricyano-1,4-dithiino[c]-isothiazole
|
Curtis, Farren
|
|
2016
|
72 |
4 |
p. 562-570
|
artikel
|
| 7 |
Exploring polymorphism of benzene and naphthalene with free energy based enhanced molecular dynamics
|
Schneider, Elia
|
|
2016
|
72 |
4 |
p. 542-550
|
artikel
|
| 8 |
Generation of crystal structures using known crystal structures as analogues
|
Cole, Jason C.
|
|
2016
|
72 |
4 |
p. 530-541
|
artikel
|
| 9 |
Growth, morphology, structure and characterization of L-histidinium dihydrogen arsenate orthoarsenic acid single crystal
|
Tyagi, Nidhi
|
|
2016
|
72 |
4 |
p. 593-601
|
artikel
|
| 10 |
How important is thermal expansion for predicting molecular crystal structures and thermochemistry at finite temperatures?
|
Heit, Yonaton N.
|
|
2016
|
72 |
4 |
p. 514-529
|
artikel
|
| 11 |
Introduction to the special issue on crystal structure prediction
|
Day, Graeme M.
|
|
2016
|
72 |
4 |
p. 435-436
|
artikel
|
| 12 |
Modulated crystal structure of InMo4O6
|
Schultz, Peter
|
|
2016
|
72 |
4 |
p. 642-649
|
artikel
|
| 13 |
On the effective ionic radii for ammonium
|
Sidey, Vasyl
|
|
2016
|
72 |
4 |
p. 626-633
|
artikel
|
| 14 |
Organic crystal polymorphism: a benchmark for dispersion-corrected mean-field electronic structure methods
|
Brandenburg, Jan Gerit
|
|
2016
|
72 |
4 |
p. 502-513
|
artikel
|
| 15 |
Report on the sixth blind test of organic crystal structure prediction methods
|
Reilly, Anthony M.
|
|
2016
|
72 |
4 |
p. 439-459
|
artikel
|
| 16 |
Self-assembly modes of glycyrrhetinic acid esters in view of the crystal packing of related triterpene molecules
|
Langer, Dominik
|
|
2016
|
72 |
4 |
p. 584-592
|
artikel
|
| 17 |
Structure and topology of three-dimensional hydrocarbon polymers
|
Kondrin, Mikhail V.
|
|
2016
|
72 |
4 |
p. 634-641
|
artikel
|
| 18 |
Structures of N-acetyl-DL-isoleucine, N-acetyl-DL-alloisoleucine and their ammonium salts; role of ammonium ions in crystal structure formation
|
Yajima, Tatsuo
|
|
2016
|
72 |
4 |
p. 650-657
|
artikel
|
| 19 |
Transferable force field for crystal structure predictions, investigation of performance and exploration of different rescoring strategies using DFT-D methods
|
Broo, Anders
|
|
2016
|
72 |
4 |
p. 460-476
|
artikel
|
| 20 |
Using crystal structure prediction to rationalize the hydration propensities of substituted adamantane hydrochloride salts
|
Mohamed, Sharmarke
|
|
2016
|
72 |
4 |
p. 551-561
|
artikel
|
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