Search Results

Benchmarking the performance of Density Functional Theory and Point Charge Force Fields in their Description of sI Methane Hydrate against Diffusion Monte Carlo

by Cox, Stephen J., Towler, Michael D., Alfè, Dario, Michaelides, Angelos
Published 2014

Methane Hydrate under High Pressure: Searching for Centering of Hydrogen Bonds

by Iitaka, Toshiaki, Ebisuzaki, Toshikazu
Published 2003

First-principle study on the electronic and optical properties of cavities occupancy of SI methane hydrates

by Wang, Zhao, Yang, Liang, Deng, Rong, Yang, Zejin
Published 2019

Spin-Frustrated Pyrochlore Chains in the Volcanic Mineral Kamchatkite (KCu3OCl(SO4)2)

by Volkova, L. M., Marinin, D. V.
Published 2017

Hydrogenation of graphene in view of odd electrons correlation

by Sheka, E. F., Popova, N. A.
Published 2012

Crossover from lamellar to spongy ice morphologies within a single ice crystal during unidirectional freezing of an aqueous solution

by Zhang, Tongxin, Wang, Zhijun, Wang, Lilin, Li, Junjie, Wang, Jincheng
Published 2021

How Channel Segregates Originates: The Flow of Accumulated Impurity Clusters in Solidifying Steels

by Li, Dianzhong, Chen, Xing-Qiu, Fu, Paixian, Ma, Xiaoping, Liu, Hongwei, Chen, Yun, Luan, Yikun, Li, Yiyi
Published 2013

Surface-Enhanced Plasmon Splitting in a Liquid-Crystal-Coated Gold Nanoparticle

by Park, Sung Yong, Stroud, D.
Published 2005

In-situ comparison of interface instability of basal and edge planes during unidirectional growth of sea ice

by Zhang, Tongxin, Wang, Zhijun, Wang, Lilin, Li, Junjie, Wang, Jincheng
Published 2022

Deformation of grain boundaries in polar ice

by Durand, Gael, Graner, Francois, Weiss, Jerome
Published 2003

Topological phase transition from periodic edge states in moiré superlattices ...

by Wang, Haonan, Yang, Li
Published 2023

Pressure-induced stabilization of carbonic acid and other compounds in the C-H-O system

by Saleh, Gabriele, Oganov, Artem R.
Published 2016

Polymer adhesion: first-principles calculations of the adsorption of organic molecules onto Si surfaces

by Johnston, Karen, Nieminen, Risto M.
Published 2007

Adsorption of benzene, phenol, propane and carbonic acid molecules on oxidized Al(111) and alpha-Al2O3(0001) surfaces: A first-principles study

by Blomqvist, Janne, Salo, Petri
Published 2009

SI methane hydrate confined in C8-grafted SBA-15: A highly efficient storage system enabling ultrafast methane loading and unloading ...

by Beckwée, Emile Jules, Houlleberghs, Maarten, Ciocarlan, Radu-George, Chandran, C. Vinod, Radhakrishnan, Sambhu, Hanssens, Lucas, Cool, Pegie, Martens, Johan, Breynaert, Eric, Baron, Gino V., Denayer, Joeri F. M.
Published 2023

Opaque Lowermost Mantle

by Lobanov, Sergey S., Soubiran, François, Holtgrewe, Nicholas, Badro, James, Lin, Jung-Fu, Goncharov, Alexander F.
Published 2019

Modeling eruptions of Karymsky volcano

by Ozerov, A., Ispolatov, I., Lees, J.
Published 2001

In situ visualization of tip undercooling and lamellar microstructure evolution of sea ice with manipulated orientation

by Zhang, Tongxin, Wang, Zhijun, Wang, Lilin, Li, Junjie, Wang, Jincheng
Published 2020

The solution to an unresolved problem: newly synthesised nanocollagen for the preservation of leather

by Bicchieri, Marina, Valentini, Federica, Pascalicchio, Francesca, Riccardi, Maria Luisa, Colaizzi, Piero, Del Re, Camilla, Talamo, Maurizio
Published 2018

First principles molecular dynamics study of filled ice hydrogen hydrate

by Zhang, Jingyun, Kuo, Jer-Lai, Iitaka, Toshiaki
Published 2012