Reply to Comment on “Disproving a Silicon Analog of an Alkyne with the Aid of Topological Analyses of the Electronic Structure and Ab Initio Molecular Dynamics Calculations”

Carlo A. Pignedoli; Alessandro Curioni; Wanda Andreoni

doi:10.1002/cphc.200600025

Reply to Comment on “Disproving a Silicon Analog of an Alkyne with the Aid of Topological Analyses of the Electronic Structure and Ab Initio Molecular Dynamics Calculations”

ChemPhysChem ◽

10.1002/cphc.200600025 ◽

2006 ◽

Vol 7 (4) ◽

pp. 801-802 ◽

Cited By ~ 10

Author(s):

Carlo A. Pignedoli ◽

Alessandro Curioni ◽

Wanda Andreoni

Keyword(s):

Molecular Dynamics ◽

Electronic Structure ◽

Ab Initio ◽

Ab Initio Molecular Dynamics ◽

Molecular Dynamics Calculations ◽

Silicon Analog

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Comment on “Disproving a Silicon Analog of an Alkyne with the Aid of Topological Analyses of the Electronic Structure and Ab Initio Molecular Dynamics Calculations”

ChemPhysChem ◽

10.1002/cphc.200500689 ◽

2006 ◽

Vol 7 (4) ◽

pp. 799-800 ◽

Cited By ~ 17

Author(s):

Gernot Frenking ◽

Andreas Krapp ◽

Shigeru Nagase ◽

Nozomi Takagi ◽

Akira Sekiguchi

Keyword(s):

Molecular Dynamics ◽

Electronic Structure ◽

Ab Initio ◽

Ab Initio Molecular Dynamics ◽

Molecular Dynamics Calculations ◽

Silicon Analog

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Disproving a Silicon Analog of an Alkyne with the Aid of Topological Analyses of the Electronic Structure and Ab Initio Molecular Dynamics Calculations

ChemPhysChem ◽

10.1002/cphc.200500064 ◽

2005 ◽

Vol 6 (9) ◽

pp. 1795-1799 ◽

Cited By ~ 16

Author(s):

Carlo A. Pignedoli ◽

Alessandro Curioni ◽

Wanda Andreoni

Keyword(s):

Molecular Dynamics ◽

Electronic Structure ◽

Ab Initio ◽

Ab Initio Molecular Dynamics ◽

Molecular Dynamics Calculations ◽

Silicon Analog

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Zinc Complexation in Hydrothermal Chloride Brines: Results from ab Initio Molecular Dynamics Calculations

The Journal of Physical Chemistry A ◽

10.1021/jp026098g ◽

2003 ◽

Vol 107 (7) ◽

pp. 1050-1054 ◽

Cited By ~ 22

Author(s):

D. J. Harris ◽

J. P. Brodholt ◽

D. M. Sherman

Keyword(s):

Molecular Dynamics ◽

Ab Initio ◽

Ab Initio Molecular Dynamics ◽

Molecular Dynamics Calculations

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IR Spectra of (HCOOH)2 and (DCOOH)2: Experiment, VSCF/VCI, and Ab Initio Molecular Dynamics Calculations Using Full-Dimensional Potential and Dipole Moment Surfaces

The Journal of Physical Chemistry Letters ◽

10.1021/acs.jpclett.8b00447 ◽

2018 ◽

Vol 9 (10) ◽

pp. 2604-2610 ◽

Cited By ~ 10

Author(s):

Chen Qu ◽

Joel M. Bowman

Keyword(s):

Molecular Dynamics ◽

Dipole Moment ◽

Ir Spectra ◽

Ab Initio ◽

Ab Initio Molecular Dynamics ◽

Molecular Dynamics Calculations

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A web-deployed interface for performing ab initio molecular dynamics, optimization, and electronic structure in Fireball

Computer Physics Communications ◽

10.1016/j.cpc.2008.10.007 ◽

2009 ◽

Vol 180 (3) ◽

pp. 418-426 ◽

Cited By ~ 3

Author(s):

J. Brandon Keith ◽

Jacob R. Fennick ◽

Chad E. Junkermeier ◽

Daniel R. Nelson ◽

James P. Lewis

Keyword(s):

Molecular Dynamics ◽

Electronic Structure ◽

Ab Initio ◽

Ab Initio Molecular Dynamics

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Ab initio molecular dynamics calculations of heat conductivity for silicon related materials

PRZEGLĄD ELEKTROTECHNICZNY ◽

10.15199/48.2017.08.16 ◽

2017 ◽

Vol 1 (8) ◽

pp. 63-65

Author(s):

Bohdan ANDRIYEVSKY

Keyword(s):

Molecular Dynamics ◽

Ab Initio ◽

Heat Conductivity ◽

Ab Initio Molecular Dynamics ◽

Molecular Dynamics Calculations

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Ab initio molecular dynamics calculations to study catalysis

International Journal of Quantum Chemistry ◽

10.1002/(sici)1097-461x(1997)61:3<369::aid-qua2>3.0.co;2-u ◽

1997 ◽

Vol 61 (3) ◽

pp. 369-380 ◽

Cited By ~ 20

Author(s):

K. Schwarz ◽

E. Nusterer ◽

P. Margl ◽

P. E. Bl�chl

Keyword(s):

Molecular Dynamics ◽

Ab Initio ◽

Ab Initio Molecular Dynamics ◽

Molecular Dynamics Calculations

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Ab-initio molecular dynamics calculations: a parallel implementation of the Car-Parrinello method

Proceedings of 4th Euromicro Workshop on Parallel and Distributed Processing ◽

10.1109/empdp.1996.500576 ◽

2002 ◽

Author(s):

R. Di Felice ◽

M.L. Mantovani ◽

C.M. Bertoni

Keyword(s):

Molecular Dynamics ◽

Ab Initio ◽

Parallel Implementation ◽

Ab Initio Molecular Dynamics ◽

Molecular Dynamics Calculations

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Efficient preconditioning of the electronic structure problem in large scale ab initio molecular dynamics simulations

The Journal of Chemical Physics ◽

10.1063/1.4922988 ◽

2015 ◽

Vol 142 (24) ◽

pp. 244117 ◽

Cited By ~ 2

Author(s):

Florian Schiffmann ◽

Joost VandeVondele

Keyword(s):

Molecular Dynamics ◽

Electronic Structure ◽

Ab Initio ◽

Molecular Dynamics Simulations ◽

Large Scale ◽

Ab Initio Molecular Dynamics ◽

Structure Problem ◽

Dynamics Simulations

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Ab initio molecular dynamics calculations of ion hydration free energies

The Journal of Chemical Physics ◽

10.1063/1.3137054 ◽

2009 ◽

Vol 130 (20) ◽

pp. 204507 ◽

Cited By ~ 95

Author(s):

Kevin Leung ◽

Susan B. Rempe ◽

O. Anatole von Lilienfeld

Keyword(s):

Molecular Dynamics ◽

Ab Initio ◽

Ab Initio Molecular Dynamics ◽

Free Energies ◽

Ion Hydration ◽

Molecular Dynamics Calculations

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