The van der Waals interactions in rare-gas dimers: the role of interparticle interactions
Literature Information
Yu-Ting Chen, Kerwin Hui
We investigate the potential energy curves of rare-gas dimers with various ranges and strengths of interparticle interactions (nuclear–electron, electron–electron, and nuclear–nuclear interactions). Our investigation is based on the highly accurate coupled-cluster theory associated with those interparticle interactions. For comparison, the performances of the corresponding Hartree–Fock theory, second-order Møller–Plesset perturbation theory, and density functional theory are also investigated. Our results reveal that when the interparticle interactions retain the long-range Coulomb tails, the nature of van der Waals interactions in the rare-gas dimers remains similar. By contrast, when the interparticle interactions are sufficiently short-range, the conventional van der Waals interactions in the rare-gas dimers completely disappear, yielding purely repulsive potential energy curves.
Related Literature
Smart functionalized phosphonic acid based copolymers: new structures for old purposes
Xavier Solimando, Yohann Catel, Norbert Moszner, Jean-Jacques Robin, Sophie Monge
DOI: 10.1039/D0PY00337A
Aromatic thioketone-mediated radical polymerization of methacrylates and the preparation of amphiphilic quasi-block copolymers
DOI: 10.1039/D0PY00322K
Design of new phenothiazine derivatives as visible light photoinitiators
Thanh-Tuân Bui, Fabrice Goubard, Frédéric Dumur, Joumana Toufaily
DOI: 10.1039/D0PY00497A
Development and disassembly of single and multiple acid-cleavable block copolymer nanoassemblies for drug delivery
Arman Moini Jazani, Jung Kwon Oh
DOI: 10.1039/D0PY00234H
Influence of surface charge on the formulation of elongated PEG-b-PDLLA nanoparticles
Roxane Ridolfo, David S. Williams, Jan C. M. van Hest
DOI: 10.1039/D0PY00280A
Photo-induced copper mediated copolymerization of activated-ester methacrylate polymers and their use as reactive precursors to prepare multi-dentate ligands for the water transfer of inorganic nanoparticles
Binh T. Mai, Markus J. Barthel, Aidin Lak, Tommaso Avellini, Ana Maria Panaite, Emille M. Rodrigues, Luca Goldoni, Teresa Pellegrino
DOI: 10.1039/D0PY00212G
You might also like
How should waste containing 6-Chloro-5-(2'-hydroxy-3'-methoxy-4-biphenylyl)-3-(3-methoxyphenyl)-1H-pyrrolo[3,2-d]pyrimidine-2,4(3H,5H)-dione (CAS: 1346607-05-3) be handled?
Waste containing 6-Chloro-5-(2'-hydroxy-3'-methoxy-4-biphenylyl)-3-(3-methoxyphe...
What are the main uses of (3alpha,5alpha)-3-Hydroxypregnane-11,20-dione (CAS: 23930-19-0)?
(3alpha,5alpha)-3-Hydroxypregnane-11,20-dione is primarily used in the pharmaceu...
What is the market or research trend for 4-Amino-6-chloro-2-pyridinecarboxylic acid (CAS: 546141-56-4)?
The market for 4-Amino-6-chloro-2-pyridinecarboxylic acid (CAS: 546141-56-4) is ...
Are there alternatives to (2-Benzoylethyl)trimethylammonium chloride (CAS: 24472-88-6) in synthesis?
Alternatives to (2-Benzoylethyl)trimethylammonium chloride (CAS: 24472-88-6) in ...
Is N-[4-Nitro-3-(trifluoromethyl)phenyl]acetamide (CAS: 393-12-4) safe?
N-[4-Nitro-3-(trifluoromethyl)phenyl]acetamide (CAS: 393-12-4) is generally safe...
Are there alternatives to [(4R,5R,6S)-5-hydroxy-10-imino-3,7-dioxa-1,9-diazatricyclo[6.4.0.02,6]dodeca-8,11-dien-4-yl]methyl dihydrogen phosphate (CAS: 39679-56-6) in synthesis?
Alternative reagents such as other phosphates or similar functional groups can b...
Are there alternatives to N,N'-Bis(3-aminopropyl)-1,3-propanediamine (CAS: 4605-14-5) in synthesis?
There are alternatives to N,N'-Bis(3-aminopropyl)-1,3-propanediamine (CAS: 4605-...
What precautions should be taken when handling Aluminium trihexadecanoate (CAS: 555-35-1)?
When handling Aluminium trihexadecanoate, it is important to use appropriate per...
What is (1,1-Dioxido-3-oxo-1,2-benzothiazol-2(3H)-yl)acetic acid (CAS: 52188-11-1)?
(1,1-Dioxido-3-oxo-1,2-benzothiazol-2(3H)-yl)acetic acid is a chemical compound ...
Are there alternatives to 5,5-dimethyloxolan-2-one (CAS: 3123-97-5) in synthesis?
Several alternatives to 5,5-dimethyloxolan-2-one (CAS: 3123-97-5) can be used in...
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.










-1,2-cyclohexanediamine structure N,N'-Bis[3-(2-methoxyphenyl)-2-hydroxybenzyl](1R,2R)-1,2-cyclohexanediamine structure](https://static.chemtradehub.com/structs/928/928769-12-4-a4f0.webp)



