Dipole strength effects on the polymorphism in smectic A mesophases
Literature Information
We study the effect of molecular dipole strength on the polymorphism of smectic A liquid crystals using computer simulations and density functional theory. We find, for a system of polar Gay–Berne particles with an off-centre axial dipole, a change in molecular organisation from non-interdigitated to interdigitated (SAd) structure.
Recommended Journals
Related Literature
A Selectfluor-promoted oxidative reaction of disulfides and amines: access to sulfinamides
Jiang Liu, Romana Pajkert, Gerd-Volker Röschenthaler, Jianlin Han
DOI: 10.1039/D0OB00720J
Enantioselective synthesis and determination of the absolute configuration of the male sex pheromone of the parasitoid wasp Urolepis rufipes
Kristina Melnik, Christopher Grimm, Johannes Wittbrodt, Joachim Ruther, Stefan Schulz
DOI: 10.1039/D0OB00614A
Tandem addition/cyclization for synthesis of 2-aroyl benzofurans and 2-aroyl indoles by carbopalladation of nitriles
Julin Gong, Kun Hu, Yinlin Shao, Renhao Li, Yetong Zhang, Maolin Hu, Jiuxi Chen
DOI: 10.1039/C9OB02408E
A molecular electron density theory study of the enhanced reactivity of aza aromatic compounds participating in Diels–Alder reactions
Luis R. Domingo, Patricia Pérez
DOI: 10.1039/C9OB02467K
Metal-free synthesis of imino-disaccharides and calix-iminosugars by photoinduced radical thiol–ene coupling (TEC)
Renaud Zelli, Pascal Dumy, Alberto Marra
DOI: 10.1039/D0OB00198H
The quasi-irreversible inactivation of cytochrome P450 enzymes by paroxetine: a computational approach
DOI: 10.1039/D0OB00529K
The effect of spermidine on guanine decomposition via photoinduced electron transfer in DNA
Mayu Esumi, Shunsuke Sakurai, Makiko Tanaka
DOI: 10.1039/C9OB01860C
A highly efficient method for the construction of cyclopropane-containing dihydroindole derivatives from indolemethylenecyclopropanes with DIAD and DEAD
Mintao Chen, Wenqing Zang, Yin Wei, Min Shi
DOI: 10.1039/C9OB02520K
Iron-catalyzed regioselective alkylation of 1,4-quinones and coumarins with functionalized alkyl bromides
Dengke Li, Xianfu Shen
DOI: 10.1039/C9OB02289A
You might also like
What regulatory guidelines apply to 6-Bromo-2-methylimidazo[1,2-a]pyrimidine (CAS: 1111638-05-1)?
6-Bromo-2-methylimidazo[1,2-a]pyrimidine (CAS: 1111638-05-1) falls under various...
Are there alternatives to 1-Pyrrolidineethanol, β-methyl-α-phenyl-, (αS,βR) (CAS: 123620-80-4) in synthesis?
While there are no direct alternatives, similar compounds like 1-Pyrrolidineetha...
Is 4-Methyl-2,6-bis(2-methyl-2-propanyl)phenyl methylcarbamate (CAS: 1918-11-2) safe?
4-Methyl-2,6-bis(2-methyl-2-propanyl)phenyl methylcarbamate (CAS: 1918-11-2) is ...
How should 2-(3-Bromo-4-fluorophenyl)-1,3-dioxolane (CAS: 77771-04-1) be stored?
2-(3-Bromo-4-fluorophenyl)-1,3-dioxolane (CAS: 77771-04-1) should be stored in a...
What are the physical and chemical properties of 4,5,6,7-Tetrahydro-1H-indazole hydrochloride (CAS: 18161-11-0)?
4,5,6,7-Tetrahydro-1H-indazole hydrochloride is a white crystalline solid with a...
What is (2R)-1-Methoxy-3-phenyl-2-propanamine (CAS: 59919-07-2)?
(2R)-1-Methoxy-3-phenyl-2-propanamine is a chiral organic compound with the CAS ...
What industries use Ethyl 1-(1-phenylethyl)-1H-imidazole-5-carboxylate (CAS: 56649-47-9)?
Ethyl 1-(1-phenylethyl)-1H-imidazole-5-carboxylate is used in various industries...
What regulatory guidelines apply to 4-[(1E,3S)-1-(4-Hydroxyphenyl)-1,4-pentadien-3-yl]phenol (CAS: 17676-24-3)?
4-[(1E,3S)-1-(4-Hydroxyphenyl)-1,4-pentadien-3-yl]phenol (CAS: 17676-24-3) falls...
What industries use (S)-3-Amino-5-phenylpentanoic acid hydrochloride (CAS: 331846-97-0)?
(S)-3-Amino-5-phenylpentanoic acid hydrochloride is primarily used in the pharma...
How is 7-methoxy-1-benzothiophene-2-carboxylic acid (CAS: 88791-07-5) typically synthesized?
7-Methoxy-1-benzothiophene-2-carboxylic acid is typically synthesized by reactin...
Source Journal
Physical Chemistry Chemical Physics

Physical Chemistry Chemical Physics (PCCP) is an international journal co-owned by 19 physical chemistry and physics societies from around the world. This journal publishes original, cutting-edge research in physical chemistry, chemical physics and biophysical chemistry. To be suitable for publication in PCCP, articles must include significant innovation and/or insight into physical chemistry; this is the most important criterion that reviewers and Editors will judge against when evaluating submissions. The journal has a broad scope and welcomes contributions spanning experiment, theory, computation and data science. Topical coverage includes spectroscopy, dynamics, kinetics, statistical mechanics, thermodynamics, electrochemistry, catalysis, surface science, quantum mechanics, quantum computing and machine learning. Interdisciplinary research areas such as polymers and soft matter, materials, nanoscience, energy, surfaces/interfaces, and biophysical chemistry are welcomed if they demonstrate significant innovation and/or insight into physical chemistry. Joined experimental/theoretical studies are particularly appreciated when complementary and based on up-to-date approaches.














