Research output: Contribution to Journal/Magazine › Journal article › peer-review
Research output: Contribution to Journal/Magazine › Journal article › peer-review
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TY - JOUR
T1 - Asymmetric crystal growth of alpha-resorcinol from the vapor phase
T2 - surface reconstruction and conformational change are the culprits
AU - Anwar, Jamshed
AU - Chatchawalsaisin, Jittima
AU - Kendrick, John
PY - 2007
Y1 - 2007
N2 - Differential growth: The growth of crystals of α-resorcinol (see picture; C gray, H white, O red) from the vapor phase is asymmetric along the polar axis. By means of molecular-dynamics simulations, the slower growth at the (011) polar surface is traced back to conformational change of the molecule and to surface reconstruction, which may be a general phenomenon in polar crystals.
AB - Differential growth: The growth of crystals of α-resorcinol (see picture; C gray, H white, O red) from the vapor phase is asymmetric along the polar axis. By means of molecular-dynamics simulations, the slower growth at the (011) polar surface is traced back to conformational change of the molecule and to surface reconstruction, which may be a general phenomenon in polar crystals.
KW - PACKAGE
KW - SOLVENT
KW - SOLIDS
KW - density functional calculations
KW - RIDDLE
KW - crystal growth
KW - TRANSITIONS
KW - polar crystals
KW - molecular dynamics
KW - SIMULATION
KW - resorcinol
U2 - 10.1002/anie.200701127
DO - 10.1002/anie.200701127
M3 - Journal article
VL - 46
SP - 5537
EP - 5540
JO - Angewandte Chemie International Edition
JF - Angewandte Chemie International Edition
SN - 1433-7851
IS - 29
ER -