Reply to the ‘Comment on “On using a too large integration time step in molecular dynamics simulations of coarse-grained molecular models”’ by S. J. Marrink, X. Periole, D. Peter Tieleman and Alex H. de Vries, Phys. Chem. Chem. Phys., 2010, 12, DOI: 10.1039/b915293h

Literature Information

Publication Date 2010-01-27
DOI 10.1039/B922516C
Impact Factor 3.676
Authors

Moritz Winger


View Original

Abstract

A graphical abstract is available for this content

Related Literature

Effects of adatom and gas molecule adsorption on the physical properties of tellurene: a first principles investigation

Xiao Hua Wang, Da Wei Wang, Ai Jun Yang, Nikhil Koratkar, Ji Feng Chu, Pin Lei Lv, Ming Zhe Rong

2018-01-04 Paper

DOI: 10.1039/C7CP07906K

Conflicting effect of chemical doping on the thermoelectric response of ordered PEDOT aggregates

Alessandra Catellani, Arrigo Calzolari

2018-01-25 Paper

DOI: 10.1039/C7CP07898F

Inside back cover

Cover

DOI: 10.1039/C8CP90041H

Guanidinium/ammonium competition and proton transfer in the interaction of the amino acid arginine with the tetracarboxylic 18-crown-6 ionophore

Juan Ramón Avilés-Moreno, Giel Berden, Jos Oomens, Bruno Martínez-Haya

2018-01-05 Paper

DOI: 10.1039/C7CP07975C

Triphenylamine based yellowish-orange light emitting organic dyes (donor–π–acceptor) for hybrid WLEDs and OLEDs: synthesis, characterization and theoretical study

Aravind Babu Kajjam, P. Shyam Vinod Kumar, V. Subramanian, Sivakumar Vaidyanathan

2018-01-15 Paper

DOI: 10.1039/C7CP08670A

Water-induced formation of a chiral phenylalanine derivative supramolecule

Weilin Chen, Zhiqiang Zhu, Chang Yin, Yibao Li, Yi Liu, Yuting Zhang, Yulan Fan, Xiaolin Fan

2018-01-02 Paper

DOI: 10.1039/C7CP05845D

Thermodynamic evidence of flexibility in H2O and CO2 absorption of transition metal ion exchanged zeolite LTA

Xin Guo, Lili Wu, Alexandra Navrotsky

2018-01-11 Paper

DOI: 10.1039/C7CP08188J

On the physics of both surface overcharging and charge reversal at heterophase interfaces

Zhi-Yong Wang, Pengli Zhang, Zengwei Ma

2018-01-04 Paper

DOI: 10.1039/C7CP08117K

High-resolution broadband sum frequency generation vibrational spectroscopy using intrapulse interference

Yang Wang, Xiangyun Ma, Huijie Wang, Da Chen, Keng C. Chou, Qifeng Li

2018-07-31 Communication

DOI: 10.1039/C8CP02519C

You might also like

Compound Q&A

Is 6-(3-Fluorophenyl)picolinic acid (CAS: 887982-40-3) safe?

6-(3-Fluorophenyl)picolinic acid is generally considered safe for laboratory use...

887982-40-36-(3-Fluorophenyl)pi...
Compound Q&A

What industries use (3R)-3-Pyrrolidinol (CAS: 2799-21-5)?

(3R)-3-Pyrrolidinol is used in the pharmaceutical industry as a precursor for dr...

2799-21-5(3R)-3-Pyrrolidinol
Compound Q&A

What precautions should be taken when handling (4R,5R)-4,5-Diethoxycarbonyl-2,2-dimethyldioxolane (CAS: 59779-75-8)?

When handling (4R,5R)-4,5-Diethoxycarbonyl-2,2-dimethyldioxolane (CAS: 59779-75-...

59779-75-8(4R,5R)-4,5-Diethoxy...
Compound Q&A

How is 1-(6-Chloroimidazo[1,2-b]pyridazin-3-yl)ethanone (CAS: 90734-71-7) typically synthesized?

1-(6-Chloroimidazo[1,2-b]pyridazin-3-yl)ethanone is often synthesized via a mult...

90734-71-71-(6-Chloroimidazo[1...
Compound Q&A

What is the market or research trend for N-Ethyl-3,4-dimethylbenzylamine (CAS: 39180-83-1)?

The market for N-Ethyl-3,4-dimethylbenzylamine (CAS: 39180-83-1) remains steady,...

39180-83-1N-Ethyl-3,4-dimethyl...
Compound Q&A

What is Tert-butyl 3-(pyrrolidin-1-yl)azetidine-1-carboxylate (CAS: 1019008-21-9)?

Tert-butyl 3-(pyrrolidin-1-yl)azetidine-1-carboxylate is a chemical compound wit...

1019008-21-9Tert-butyl 3-(pyrrol...
Compound Q&A

What regulatory guidelines apply to 1-Bromo-3-chloro-2,4-dimethoxybenzene (CAS: 1228956-93-1)?

1-Bromo-3-chloro-2,4-dimethoxybenzene (CAS: 1228956-93-1) falls under the classi...

1228956-93-11-Bromo-3-chloro-2,4...
Compound Q&A

Is 8-Bromo-2-methyl-3,4-dihydroisoquinolin-1(2H)-one (CAS: 1368622-07-4) safe?

The safety of 8-Bromo-2-methyl-3,4-dihydroisoquinolin-1(2H)-one (CAS: 1368622-07...

1368622-07-48-Bromo-2-methyl-3,4...
Compound Q&A

Is Benzyl [(3S)-2,6-dioxo-3-piperidinyl]carbamate (CAS: 22785-43-9) safe?

Benzyl [(3S)-2,6-dioxo-3-piperidinyl]carbamate is generally safe when handled wi...

22785-43-9Benzyl [(3S)-2,6-dio...
Compound Q&A

How should 1-{[4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]sulfonyl}pyrrolidine (CAS: 928657-21-0) be stored?

1-{[4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]sulfonyl}pyrrolidine s...

928657-21-01-{[4-(4,4,5,5-Tetra...

Source Journal

Physical Chemistry Chemical Physics

Physical Chemistry Chemical Physics
CiteScore: 5.5
Self-citation Rate: 10.3%
Articles per Year: 3036

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.

Recommended Compounds

Recommended Suppliers

Disclaimer
This page provides academic journal information for reference and research purposes only. We are not affiliated with any journal publishers and do not handle publication submissions. For publication-related inquiries, please contact the respective journal publishers directly.
If you notice any inaccuracies in the information displayed, please contact us at support@chemtradehub.com. We will promptly review and address your concerns.