Triplet depletion forces from density functional optimization
文献情報
A novel density functional theory optimization technique, based on Rosenfeld's “fundamental measure ” theory for hard-core particles and the use of an adaptive real-space grid, is developed to investigate highly asymmetric binary mixtures of hard spheres as models of bidisperse colloidal suspensions. The method is applied to the calculation of pair and triplet depletion forces between large colloids in a bath of much smaller colloidal particles. The computed pair forces are in generally good agreement with theoretical predictions and previous Monte Carlo work. The triplet forces, explicitly calculated for the first time, are an order of magnitude weaker than the much-studied pair interactions, and appear to be attractive.
関連文献
Imidazole-accelerated crosslinking of epoxidized natural rubber by dicarboxylic acids: a mechanistic investigation using NMR spectroscopy
Myriam Pire, Cédric Lorthioir, Evdokia K. Oikonomou, Sophie Norvez, Ilias Iliopoulos, Benoît Le Rossignol, Ludwik Leibler
DOI: 10.1039/C2PY00591C
Novel polymer nanocomposites from bioinspired green aqueous functionalization of BNNTs
Vijay Kumar Thakur, Jian Yan, Meng-Fang Lin, Chunyi Zhi, Dmitri Golberg, Yoshio Bando, Raymond Sim
DOI: 10.1039/C2PY00612J
Triblock copolymers from lactide and telechelic poly(cyclohexene carbonate)
Michael R. Kember, James Copley, Antoine Buchard, Charlotte K. Williams
DOI: 10.1039/C2PY00543C
Synthesis and charge-transporting properties of electron-deficient CN2–fluorene based D–A copolymers
Yan Zhao, Xunlei Ding, Hui Jia, Bo Jiang, Zhiguo Zhang, Chuanlang Zhan, Shenggui He, Qibing Pei, Yongfang Li, Yunqi Liu, Jiannian Yao
DOI: 10.1039/C2PY20184D
Molecular design, synthesis and characterization of aromatic polythioester and polydithioester
Daisuke Abe, Yuji Sasanuma
DOI: 10.1039/C2PY20118F
Fast and scalable production of hyperbranched polythioether-ynes by a combination of thiol-halogen click-like coupling and thiol-yne click polymerization
Jin Han, Bo Zhao, Aijin Tang, Yanqin Gao, Chao Gao
DOI: 10.1039/C1PY00367D
Metal-free click polymerization of propiolates and azides: facile synthesis of functional poly(aroxycarbonyltriazole)s
Hongkun Li, Jian Wang, Jing Zhi Sun, Rongrong Hu, Anjun Qin
DOI: 10.1039/C2PY00586G
Polyethyleneimine functionalized polymer microsphere: a novel delivery vector for cells
Chunying Gao, Han Zhang, Ming Wu, Yang Liu, Yipan Wu, Xinlin Yang, Xizeng Feng
DOI: 10.1039/C2PY20012K
こちらもおすすめ
6- bromo-1-cyclopropyl-1H-benzimidazoleの市場動向や研究トレンドはどうですか?
6- bromo-1-cyclopropyl-1H-benzimidazoleは、抗炎症、抗ウイルス作用を持つことが報告されており、新薬開発の研究対象として注目...
環氧プロpanol-d5を取り扱う際の実験室安全事項は何ですか?
取り扱う際には、防護眼鏡と手袋を使用し、ドラフトチャンバー内で操作することを推奨します。漏洩時には適切な手順で処理し、安全データシートを常に参照してください。
2,2’-ジメチル-3,3’-ビピリジンはどのように合成されますか?
2,2’-ジメチル-3,3’-ビピリジンは、ピリジンと2-メチルアクリルアミドを有機合成反応で合成します。この反応では、ピリジンと2-メチルアクリルアミドを含有...
6-甲基ピリジン-2-ボリック酸の主な用途は何ですか?
6-甲基ピリジン-2-ボリック酸は、合成化学、医薬品合成、以及研究用途などに広く使用され、特に組換えDNA技術や分子生物学の研究において重要な役割を果たします。
(R)-3-(1-甲基-2-氧環己基)プロpano酸メチルは安全ですか?
(R)-3-(1-甲基-2-氧環己基)プロpano酸メチルは一定の安全性がありますが、直接的な皮膚接触や吸入は避けるべきです。使用する際は適切な個々の安全データ...
ketorolacはどのように保存すればよいですか?
ketorolacは、密封して遮光容器に保管し、直射日光や高温を避けて保存してください。温度は常温で保存し、湿度をなるべく低く保つことが推奨されます。
L-2,3-二氨基丙酸二盐酸盐を取り扱う際の実験室安全事項は何ですか?
L-2,3-二氨基丙酸二盐酸盐は腐食性が強く、皮膚や粘膜に刺激を与える可能性があります。取り扱う際は、防塵マスク、ゴーグル、手袋を使用し、適切な排気設備を使用し...
2-(4-溴ピリジン-2-基)乙腈の物理化学的性質は何ですか?
2-(4-溴ピリジン-2-基)乙腈のCAS番号は312325-73-8です。主に結晶形態で存在し、分子量は159.01 g/molです。この化合物は水に溶けやす...
3-フローロ-[1,1-ベンジレン]-3,4-ジカルボン酸を取り扱う際の実験室安全事項は何ですか?
この化合物は毒性は低いですが、直接的な接触や吸入に注意が必要です。PPE(個人防護具)を着用し、ドラフトチャンバーを使用して操作することを推奨します。また、漏洩...
3-(1-氧代-1,3-二氢-2H-2-异吲哚)丙酸の主な用途は何ですか?
3-(1-氧代-1,3-二氢-2H-2-异吲哚)丙酸は、薬理学研究や医薬品製造において広く用いられる化合物です。また、工業的な用途でも一部の化学反応の触媒や助剤...
掲載誌
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.












![6-Bromo-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazine structure 6-Bromo-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazine structure](https://static.chemtradehub.com/structs/120/1203499-17-5-b4d1.webp)
![2-{[(1R,2S)-2-Aminocyclohexyl]amino}-4-{[3-(2H-1,2,3-triazol-2-yl)phenyl]amino}-5-pyrimidinecarboxamide structure 2-{[(1R,2S)-2-Aminocyclohexyl]amino}-4-{[3-(2H-1,2,3-triazol-2-yl)phenyl]amino}-5-pyrimidinecarboxamide structure](https://static.chemtradehub.com/structs/137/1370261-96-3-40df.webp)
