Bridging solution properties to gas hydrate nucleation through guest dynamics
Literature Information
Peter G. Kusalik
By investigating the aqueous solution properties of several hydrate guests with molecular simulations, we find that with increasing guest concentration, the guest's hydration shell becomes more ordered and the system entropy decreases. A common critical value of the self-diffusion coefficient of different guest molecules is identified, below which hydrates will nucleate very readily.
Recommended Journals
Related Literature
A statistical approach to inelastic electron tunneling spectroscopy on fullerene-terminated molecules
Jakob Kryger Sørensen, Emanuel Lörtscher, Tom Vosch, Heike Riel, Kristine Kilså, Thomas Bjørnholm, Herre van der Zant
DOI: 10.1039/C1CP20861F
Resonant dissociative electron attachments to cysteine and cystine
Yong-Feng Wang, Shan Xi Tian, Jinlong Yang
DOI: 10.1039/C1CP21267B
Electron-beam evaporated silicon as a top contact for molecular electronic device fabrication
Rajesh Kumar, Haijun Yan, Adam Johan Bergren
DOI: 10.1039/C1CP20755E
Excited-state N–H⋯S hydrogen bond between indole and dimethyl sulfide: time-dependent density functional theory study
Yufang Liu, Kai Jiang, Deheng Shi, Jinfeng Sun
DOI: 10.1039/C1CP20729F
Structural, morphological, and kinetic studies of β-amyloid peptide aggregation on self-assembled monolayers
Qiuming Wang, Nilam Shah, Jun Zhao, Chengshan Wang, Chao Zhao, Lingyun Liu, Lingyan Li, Feimeng Zhou, Jie Zheng
DOI: 10.1039/C1CP21156K
A theoretical study on structural, spectroscopic and energetic properties of acetamide clusters [CH3CONH2] (n = 1–15)
A. Subha Mahadevi, Y. Indra Neela, G. Narahari Sastry
DOI: 10.1039/C1CP21346F
MnO2/TiN heterogeneous nanostructure design for electrochemical energy storage
Stefanie A. Sherrill, Jonathon Duay, Zhe Gui, Parag Banerjee, Gary W. Rubloff
DOI: 10.1039/C1CP21815H
Probing the electronic and optical properties of silica-coated quantum dots with first-principles calculations
Cunku Dong, Jingyao Qi
DOI: 10.1039/C1CP21030K
You might also like
What are the main uses of 1-(3-Aminophenyl)-3-[(3R)-1-(3,3-dimethyl-2-oxobutyl)-2-oxo-5-(2-pyridinyl)-2,3-dihydro-1H-1,4-benzodiazepin-3-yl]urea (CAS: 155412-88-7)?
This compound is mainly used as an intermediate in the synthesis of antipsychoti...
How should waste containing 1-(D-Ribofuranosyl)-1,4-dihydro-3-pyridinecarboxamide (CAS: 19132-12-8) be handled?
Waste containing 1-(D-Ribofuranosyl)-1,4-dihydro-3-pyridinecarboxamide (CAS: 191...
What regulatory guidelines apply to 2-Methyl-2-propanyl 3-bromo-3-(hydroxymethyl)-1-azetidinecarboxylate (CAS: 2007919-81-3)?
2-Methyl-2-propanyl 3-bromo-3-(hydroxymethyl)-1-azetidinecarboxylate (CAS: 20079...
What is N-(4-Chloro-2-pyridinyl)acetamide (CAS: 245056-66-0)?
N-(4-Chloro-2-pyridinyl)acetamide (CAS: 245056-66-0) is a chemical compound with...
What is 5-Chloro-2-hydroxybenzoic acid (CAS: 321-14-2)?
5-Chloro-2-hydroxybenzoic acid, also known as 5-chlorosalicylic acid, is an arom...
What precautions should be taken when handling 1,1-Dichloro-1-fluoroethane (CAS: 1717-00-6)?
When handling 1,1-Dichloro-1-fluoroethane (CAS: 1717-00-6), it is important to u...
What are the physical and chemical properties of Fmoc-(2S,3R)-3-phenylpyrrolidine-2-carboxylic acid (CAS: 281655-32-1)?
Fmoc-(2S,3R)-3-phenylpyrrolidine-2-carboxylic acid is a white crystalline solid ...
What are the main uses of 4-Amino-5-bromo-2-pyridinecarboxylic acid (CAS: 1363381-01-4)?
4-Amino-5-bromo-2-pyridinecarboxylic acid is primarily used as a precursor in th...
What precautions should be taken when handling (S)-tert-butyl 2-((2-(4-bromophenyl)-2-oxoethyl)carbamoyl)pyrrolidine-1-carboxylate (CAS: 1007881-98-2)?
Handling this compound should be done with personal protective equipment (PPE) i...
What precautions should be taken when handling 8-bromo-2,2-dimethyl-3,4-dihydro-2H-1,4-benzoxazin-3-one (CAS: 688363-73-7)?
When handling 8-bromo-2,2-dimethyl-3,4-dihydro-2H-1,4-benzoxazin-3-one, use prop...
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.













![Pyrazolo[1,5-a]pyridine-3-carbothioamide structure Pyrazolo[1,5-a]pyridine-3-carbothioamide structure](https://static.chemtradehub.com/structs/885/885275-44-5-aae0.webp)
