Results 151 to 160 of about 38,282 (168)

Structures and stabilities of small silicon clusters: Ab initio molecular-orbital calculations of Si7–Si11

Journal of Chemical Physics, 2003
Xiao Cheng Zeng, Zhu Xiaolei, Zeng X C
exaly  

Ab initio calculations of mechanical properties: Methods and applications

Progress in Materials Science, 2015
Jaroslav Pokluda, Miroslav Černý, M Sob   +2 more
exaly  

Quantum Calculations of Vibrational Energies of H3O2-on an ab Initio Potential

Journal of the American Chemical Society, 2004
Xinchuan Huang, Bastiaan J Braams, Stuart Carter   +2 more
exaly  

Ab Initio Calculations

2016
openaire   +1 more source

Elastic properties of Fe–Mn random alloys studied by ab initio calculations

Applied Physics Letters, 2007
Denis Music, Levente Vitos, I A Abrikosov   +2 more
exaly  

Comparative studies of the lowest singlet states of (O2)2 including ab initio calculations of the four excited states dissociating into O2(1Δg)+O2(1Δg)

Journal of Chemical Physics, 1998
B Bussery-Honvault
exaly  

Fluorination-induced magnetism in boron nitride nanotubes from ab initio calculations

Applied Physics Letters, 2008
Zhonghua Zhu, Xiangdong Yao, Gaoqing Lu   +2 more
exaly  

High‐Level Ab Initio Calculations of Intermolecular Interactions: Heavy Main‐Group Element π‐Interactions

Chemistry - A European Journal, 2018
Michael Mehring
exaly  

Ab-initio calculation of kaolinite:

Abstracts of annual meeting of The Clay Science Society of Japan, 2003
SHIRAKI, Koichi, KAWAMURA, Katsuyuki, TAZAKI, Kazue   +2 more
openaire   +1 more source

Ab initio calculations of the polarizability and the hyperpolarizability of C60

Journal of Chemical Physics, 1997
Patrick Norman, Yi Luo, Dan Jonsson
exaly