scholarly journals Comment on “Curvy-steps approach to constraint-free extended-Lagrangian ab initio molecular dynamics, using atom-centered basis functions: Convergence toward Born–Oppenheimer trajectories” [J. Chem. Phys. 121, 11542 (2004)]

2005 ◽  
Vol 123 (2) ◽  
pp. 027101 ◽  
Author(s):  
Srinivasan S. Iyengar ◽  
H. Bernhard Schlegel ◽  
Gustavo E. Scuseria ◽  
John M. Millam ◽  
Michael J. Frisch
Keyword(s):  
Molecular Dynamics ◽  
Ab Initio ◽  
Chem Phys ◽  
Basis Functions ◽  
Ab Initio Molecular Dynamics

scholarly journals Correction: Penetrating probability and cross section of the Li+–C60 encapsulation process through an ab initio molecular dynamics investigation

2018 ◽  
Vol 20 (41) ◽  
pp. 26786-26786
Author(s):  
Thi H. Ho ◽  
Yoshiyuki Kawazoe ◽  
Hung M. Le
Keyword(s):  
Molecular Dynamics ◽  
Ab Initio ◽  
Cross Section ◽  
Chem Phys ◽  
Ab Initio Molecular Dynamics ◽  
Encapsulation Process ◽  
Phys Chem Chem Phys

Correction for ‘Penetrating probability and cross section of the Li+–C60 encapsulation process through an ab initio molecular dynamics investigation’ by Thi H. Ho et al., Phys. Chem. Chem. Phys., 2018, 20, 7007–7013.

Erratum: “Ab initio molecular dynamics simulation of liquid Al88Si12 alloys” [J. Chem. Phys. 122, 034508 (2005)]

2008 ◽  
Vol 129 (8) ◽  
pp. 089901
Author(s):  
Songyou Wang ◽  
C. Z. Wang ◽  
Feng-Chuan Chuang ◽  
James R. Morris ◽  
K. M. Ho
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulation ◽  
Ab Initio ◽  
Chem Phys ◽  
Dynamics Simulation ◽  
Ab Initio Molecular Dynamics
Sign in / Sign up

Export Citation Format

Share Document