scholarly journals Win some, lose some: enthalpy-entropy compensation in weak intermolecular interactions

1995 ◽  
Vol 2 (11) ◽  
pp. 709-712 ◽  
Author(s):  
Jack D. Dunitz
Keyword(s):  
Intermolecular Interactions ◽  
Weak Intermolecular Interactions

On the influence of weak intermolecular interactions on the molecular crystal density of 1,3,5-triazine trinitroalkyl derivatives

2021 ◽  
Vol 57 (3) ◽  
pp. 266-273
Author(s):  
Kyrill Yu. Suponitsky ◽  
Aleksei A. Anisimov ◽  
Ivan V. Ananyev ◽  
Alexander A. Lashakov ◽  
Svetlana V. Osintseva ◽  
...  
Keyword(s):  
Intermolecular Interactions ◽  
Molecular Crystal ◽  
Weak Intermolecular Interactions ◽  
Crystal Density

Structural Investigation of Weak Intermolecular Interactions (Hydrogen and Halogen Bonds) in Fluorine-Substituted Benzimidazoles

2014 ◽  
Vol 14 (7) ◽  
pp. 3499-3509 ◽  
Author(s):  
Marta Pérez-Torralba ◽  
M. Ángeles García ◽  
Concepción López ◽  
M. Carmen Torralba ◽  
M. Rosario Torres ◽  
...  
Keyword(s):  
Intermolecular Interactions ◽  
Structural Investigation ◽  
Halogen Bonds ◽  
Weak Intermolecular Interactions

scholarly journals Synthesis, Structure and Chiral Inclusion Crystallisation of Tetrakis(4-Ethynylphenyl)Ethylene Derivatives

2002 ◽  
Vol 2002 (5) ◽  
pp. 209-212 ◽  
Author(s):  
Koichi Tanaka ◽  
Takaichi Hiratsuka ◽  
Yuko Kojima ◽  
Yasuko T. Osano
Keyword(s):  
Intermolecular Interactions ◽  
Guest Molecules ◽  
Host Molecules ◽  
Weak Intermolecular Interactions

Achiral host molecules, tetrakis(4-ethynylphenyl)ethylene 3 and tetrakis(4-bromoethynylphenyl)ethylene 4, formed chiral host–guest inclusion crystals with achiral guest molecules via weak intermolecular interactions.

Weak intermolecular interaction directed assembly of calix[4]arene derivatives

CrystEngComm ◽  
2019 ◽  
Vol 21 (46) ◽  
pp. 7114-7122 ◽  
Author(s):  
Zufeng Xiao ◽  
Weiping Yang ◽  
Jia Luo ◽  
Rong Guo ◽  
Rong Zeng ◽  
...  
Keyword(s):  
Intermolecular Interaction ◽  
Intermolecular Interactions ◽  
Directed Assembly ◽  
Weak Intermolecular Interaction ◽  
Weak Intermolecular Interactions

Dimer and tetramer structures of cone-di-formyl-calix[4]arene 16 were formed through weak intermolecular interactions.

Intermolecular interactions in crystals of benzene and its mono- and dinitro derivatives: study from the energetic viewpoint

CrystEngComm ◽  
2019 ◽  
Vol 21 (18) ◽  
pp. 2908-2919 ◽  
Author(s):  
Irina S. Konovalova ◽  
Svitlana V. Shishkina ◽  
G. Bani-Khaled ◽  
Ekaterina N. Muzyka ◽  
Alexander N. Boyko
Keyword(s):  
Crystal Structure ◽  
Structure Formation ◽  
Quantum Chemical Calculations ◽  
Intermolecular Interactions ◽  
Quantum Chemical ◽  
Weak Intermolecular Interactions ◽  
Crystal Structure Formation

The weak intermolecular interactions and their role in mono- and dinitrobenzene crystal structure formation have been studied using quantum-chemical calculations.

A theoretical study of weak interactions in phenylenediamine homodimer clusters

2016 ◽  
Vol 18 (42) ◽  
pp. 29249-29257 ◽  
Author(s):  
Chengqian Yuan ◽  
Haiming Wu ◽  
Meiye Jia ◽  
Peifeng Su ◽  
Zhixun Luo ◽  
...  
Keyword(s):  
Density Functional Theory ◽  
Dft Calculations ◽  
Intermolecular Interactions ◽  
Density Functional ◽  
Theoretical Study ◽  
Natural Bond Orbital ◽  
Weak Interactions ◽  
Interaction Energies ◽  
Functional Theory ◽  
Weak Intermolecular Interactions

Utilizing dispersion-corrected density functional theory (DFT) calculations, we demonstrate the weak intermolecular interactions of phenylenediamine dimer (pdd) clusters, emphasizing the local lowest energy structures and decomposition of interaction energies by natural bond orbital (NBO) and atoms in molecule (AIM) analyses.

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