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Author(s):  
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Fréderic Labat ◽  
Alfonso Pedone ◽  
Michael J. Frisch ◽  
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Mauro Causà ◽  
Francesca Cerciello ◽  
Fabio Capone ◽  
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Author(s):  
William C. Isley ◽  
Andrew K. Urick ◽  
William C. K. Pomerantz ◽  
Christopher J. Cramer
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Chemical Shifts ◽  
19F Nmr ◽  
Nmr Chemical Shifts ◽  
Computational Protocol

scholarly journals Vibrational properties of organic donor-acceptor molecular crystals: Anthracene-pyromellitic-dianhydride (PMDA) as a case study

2015 ◽  
Vol 143 (22) ◽  
pp. 224503 ◽  
Author(s):  
A. Fonari ◽  
N. S. Corbin ◽  
D. Vermeulen ◽  
K. P. Goetz ◽  
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Keyword(s):  
Molecular Crystals ◽  
Pyromellitic Dianhydride ◽  
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Isomorphic substitution in molecular crystals and geometry of hypervalent tellurium: comments inspired by a case study of RMeTeI2 and [RMe2Te]+I− (R = Ph, Fc)

2019 ◽  
Vol 43 (31) ◽  
pp. 12225-12232 ◽  
Author(s):  
Yury V. Torubaev ◽  
Fedor M. Dolgushin ◽  
Ivan V. Skabitsky ◽  
Alexandra E. Popova
Keyword(s):  
Molecular Crystals ◽  
Isomorphic Substitution ◽  
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Unusual isomorphic substitution in the crystals of [FcMe2Te]+I− with an admixture of Te–I ionized [FcMeTeI+]I− supports the 3c-4e as a general, seamless bonding model for the hypervalent tellurium in both the isolated molecules and crystals.

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Author(s):  
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CrystEngComm ◽  
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Ralf P. Stoffel ◽  
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Keyword(s):  
Ab Initio ◽  
Chemical Nature ◽  
Molecular Crystals
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