您所在的位置:主页->解决方案->参考文献

  • 010-51651689
  • sales@tech-box.com.cn

参考文献


·  Modulating the reactivity of chromone and its derivatives through encapsulation in a self-assembled phenylethynylenebis-urea host

Sahan Salpage,LoganS. Donevant, Mark D. Smith, Andreas Bick and Linda Szabo Shimizu

Journal of Photochemistry and Photobiology A Chemistry Volume 315, 15 January 2016, Pages 14–24

Date: Fri,15/01/2016

·  Inhomogeneity of photoacid generators in methacrylate-type EUV resist film studied by molecular dynamics simulations

Minoru Toriumi and Toshiro Itani

Jpn. J. Appl. Phys. 54, (2015)

Date: Tue,26/05/2015

·  Investigation of the kinetics of the chemical vapor deposition of aluminum from dimethylethylamine alane: experiments and computations

Ioannis G. Aviziotis, Thomas Duguet, Khaled Soussi, George Kokkoris, Nikolaos Cheimarios, Constantin Vahlas, and Andreas G. Boudouvis

Phys. Status Solidi C, 1–8 (2015) / DOI 10.1002/pssc.201510023

Date: Mon,18/05/2015

·  Prediction of absorption wavelengths using a combination of semi-empirical quantum mechanics simulations and quantitative structure–property relationship modeling approaches

R. Chaudret, Cs. F. Kiss, L. Subramanian

Journal of Photochemistry and Photobiology A: Chemistry, 2015 (299), pp 183–188

Date: Sun,15/02/2015

·  Molecular modeling and simulation of Raney Nickel: From alloy precursor to the final porous catalyst

S. Schweizer, R. Chaudret, J. Low, L. Subramanian

Computational Materials Science, 2015, 99, pp 336 - 342

Date: Tue,27/01/2015

·  Applications of a bis-urea phenylethynylene self-assembled nanoreactor for [2 + 2] photodimerizations.

Sandipan Dawn, Sahan R. Salpage, Brent A. Koscher, Andreas Bick, Arief C. Wibowo, Perry J. Pellechia, and Linda S. Shimizu

J. Phys. Chem. A, 2014, 118 (45), pp 10563–10574

Date: Fri,11/07/2014

· Revisiting H2O Nucleation around Au+ and Hg2+: The Peculiar “Pseudo-Soft” Character of the Gold Cation

Robin Chaudret, Julia Contreras-Garcia, Micka?l Delcey, Olivier Parisel, Weitao Yang, Jean-Philip Piquemal

J. Chem. Theory Comput., 2014, 10 (5), pp 1900–1909

Date: Tue,18/03/2014

·  Influences on the stability of collagen triple-helix

S. Schweizer, A. Bick, L. Subramanian, X. Krokidis

Fluid Phase Equilibria, 2014 (362), pp 113–117

Date: Sat,25/01/2014

·  Control the Wettability of Poly(N?isopropylacrylamide-co-1- adamantan-1-ylmethyl acrylate) Modified Surfaces: The More Ada, the Bigger Impact?

Xiu-Juan Shi, Gao-Jian Chen, Yan-Wei Wang, Lin Yuan, Qiang Zhang, David M. Haddleton, and Hong Chen

Langmuir, 2013, 29 (46), pp 14188–14195, DOI: 10.1021/la4037748

Date: Thu,24/10/2013

· Molecular modelling of oxygen and water permeation in polyethylene

Anders B?rjesson, Edvin Erdtmana, Peter Ahlstr?m, MikaelBerlin, Thorbj?rn Andersson, Kim Bolton

Polymer 54 (2013) 2988 - 2998

Date: Fri,24/05/2013

·  Probing micro-solvation in “numbers”: the case of neutral dipeptides in water

Panteleimon G. Takis, Konstantinos D. Papavasileiou, Loukas D. Peristeras, Vasilios S. Melissas and Anastassios N. Troganis

Phys. Chem. Chem. Phys., 2013, DOI: 10.1039/C3CP44606A

Date: Wed,20/03/2013

·  Water mediated proton hopping empowers proteins

David Porter and Fritz Vollrath

Soft Matter, 2013,9, 643-646 DOI: 10.1039/C2SM27155A

Date: Mon,05/11/2012

·  Monte Carlo simulation of carbon monoxide, carbon dioxide and methane adsorption on activated carbon

George P. Lithoxoos, Loukas D. Peristeras, Georgios C. Boulougouris, Ioannis G. Economou

Molecular Physics Special Issue Thermodynamics 2012 DOI:10.1080/00268976.2012.659223

Date: Wed,03/10/2012

· On the estimation of the free energy, from a single equilibrium statistical ensemble, via particle reinsertion

Georgios C. Boulougouris

J. Phys. Chem. B, 2012, 116 (3), pp 997–1006

Date: Wed,14/12/2011

· Understanding properties of copoly(arylene ether nitrile)s high-performance polymer electrolyte membranes for fuel cells from molecular dynamics simulations

Takahiro Ohkubo, Yasuhiko Iwadate, Yu Seung Kim, Neil Henson, Yoong-Kee Choe

Theor Chem Acc (2011) 130:555–561

Date: Tue,04/10/2011

·  Molecular dynamics simulations of nafion and sulfonated poly ether sulfone membranes II. Dynamic properties of water and hydronium

Takahiro Ohkubo, Koh Kidena, Naohiko Takimoto and Akihiro Ohira

J. Mol. Model. Volume 18, Number 2, 533-540

Date: Tue,12/04/2011

·  Thermodynamics of pharmaceuticals: Prediction of solubility in pure and mixed solvents with PC-SAFT

Theodora Spyriouni, Xenophon Krokidis, Ioannis G. Economou

Fluid Phase Equilibria 302 (2011) 331–337

Date: Tue,15/03/2011

·  Molecular simulations of crosslinking process of thermosetting polymers

Chunyu Li, Alejandro Strachan

Polymer 51 (2010) 6058-6070

Date: Fri,26/11/2010

·  Predicting fluid phase equilibrium via histogram reweighting with Gibbs ensemble Monte Carlo simulations

Georgios C. Boulougouris, Loukas D. Peristeras, Ioannis G. Economou, Doros N. Theodorou

J. of Supercritical Fluids 55 (2010) 503–509

Date: Fri,17/09/2010

·  Adsorption of N2, CH4, CO and CO2 gases in single walled carbon nanotubes: A combined experimental and Monte Carlo molecular simulation study

George P. Lithoxoos, Anastasios Labropoulos, Loukas D. Peristeras, Nikolaos Kanellopoulos, Jannis Samios, Ioannis G. Economou

J. of Supercritical Fluids 55 (2010) 510–523

Date: Wed,15/09/2010

·  Catalysis of transesterification by a nonfunctionalized metal-organic framework: Acido-basicity at the external surface of ZIF-8 probed by FTIR and ab Initio calculations

Céline Chizallet, Sandrine Lazare, Delphine Bazer-Bachi, Fabien Bonnier, Vincent Lecocq, Emmanuel Soyer, Anne-Agathe Quoineaud, Nicolas Bats

Am. Chem. Soc., (2010), 132 (35), pp 12365–12377

Date: Tue,17/08/2010

·  Molecular dynamics simulations of Nafion and sulfonated polyether sulfone membranes. I. Effect of hydration on aqueous phase structure

Takahiro Ohkubo, Koh Kidena, Naohiko Takimoto and Akihiro Ohira

J. Mol. Model. 2011, Volume 17, Number 4, 739-755

Date: Fri,11/06/2010

·  Multi-scale modeling of structure, dynamic and thermodynamic properties of imidazolium-based ionic liquids: Ab initio DFT calculations, molecular simulation and equation of state predictions

I.G. Economou, E.K. Karakatsani, G.-E. Logotheti, J. Ramos and A.A. Vanin

Oil & Gas Science and Technology - Rev. IFP, Vol. 63 (2008), No. 3, pp. 283-293

Date: Thu,15/05/2008