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Physical Chemistry Chemical Physics : PCCP
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January 5, 2026
Mechanistic insights into rubidium ion adsorption at the quartz (101) surface from quantum chemical metadynamics
Tyler Walker, Ke Yuan, Sai Adapa, et al.
The Journal of Physical Chemistry. A
|
February 3, 2007
Mechanisms of the reactions of W and W+ with NOx (x=1, 2): a computational study
Hsin-Tsung Chen, Djamaladdin G Musaev, Stephan Irle, et al.
Journal of Chemical Theory and Computation
|
November 21, 2015
Quantum Dynamics Simulations Reveal Vibronic Effects on the Optical Properties of [n]Cycloparaphenylenes
V Sivaranjana Reddy, Cristopher Camacho, Jianlong Xia, et al.
Physical Chemistry Chemical Physics : PCCP
|
July 27, 2011
Thermal annealing of SiC nanoparticles induces SWNT nucleation: evidence for a catalyst-independent VSS mechanism
Alister J Page, K R S Chandrakumar, Stephan Irle, et al.
Journal of Chemical Theory and Computation
|
November 20, 2015
Stochastic Search of Molecular Cluster Interaction Energy Surfaces with Coupled Cluster Quality Prediction. The Phenylacetylene Dimer
Matthew A Addicoat, Yoshifumi Nishimura, Takeshi Sato, et al.
ACS Nano
|
October 16, 2009
Quantum chemical molecular dynamics simulation of single-walled carbon nanotube cap nucleation on an iron particle
Yasuhito Ohta, Yoshiko Okamoto, Alister J Page, et al.
Journal of the American Chemical Society
|
October 22, 2010
QM/MD simulation of SWNT nucleation on transition-metal carbide nanoparticles
Alister J Page, Honami Yamane, Yasuhito Ohta, et al.
Journal of the American Chemical Society
|
December 15, 2010
SWNT nucleation from carbon-coated SiO2 nanoparticles via a vapor-solid-solid mechanism
Alister J Page, K R S Chandrakumar, Stephan Irle, et al.
Journal of the American Chemical Society
|
May 13, 2011
Dramatic reduction of IR vibrational cross sections of molecules encapsulated in carbon nanotubes
Dmitry V Kazachkin, Yoshifumi Nishimura, Henryk A Witek, et al.
Journal of Chemical Theory and Computation
|
November 26, 2015
Effects of Molecular Dynamics Thermostats on Descriptions of Chemical Nonequilibrium
Alister J Page, Tetsushi Isomoto, Jan M Knaup, et al.
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Search research articles
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Showing results (61-70 of 162) with videos related to
Sort By:
Page
of 17
Physical Chemistry Chemical Physics : PCCP
|
January 5, 2026
Mechanistic insights into rubidium ion adsorption at the quartz (101) surface from quantum chemical metadynamics
Tyler Walker, Ke Yuan, Sai Adapa, et al.
The Journal of Physical Chemistry. A
|
February 3, 2007
Mechanisms of the reactions of W and W+ with NOx (x=1, 2): a computational study
Hsin-Tsung Chen, Djamaladdin G Musaev, Stephan Irle, et al.
Journal of Chemical Theory and Computation
|
November 21, 2015
Quantum Dynamics Simulations Reveal Vibronic Effects on the Optical Properties of [n]Cycloparaphenylenes
V Sivaranjana Reddy, Cristopher Camacho, Jianlong Xia, et al.
Physical Chemistry Chemical Physics : PCCP
|
July 27, 2011
Thermal annealing of SiC nanoparticles induces SWNT nucleation: evidence for a catalyst-independent VSS mechanism
Alister J Page, K R S Chandrakumar, Stephan Irle, et al.
Journal of Chemical Theory and Computation
|
November 20, 2015
Stochastic Search of Molecular Cluster Interaction Energy Surfaces with Coupled Cluster Quality Prediction. The Phenylacetylene Dimer
Matthew A Addicoat, Yoshifumi Nishimura, Takeshi Sato, et al.
ACS Nano
|
October 16, 2009
Quantum chemical molecular dynamics simulation of single-walled carbon nanotube cap nucleation on an iron particle
Yasuhito Ohta, Yoshiko Okamoto, Alister J Page, et al.
Journal of the American Chemical Society
|
October 22, 2010
QM/MD simulation of SWNT nucleation on transition-metal carbide nanoparticles
Alister J Page, Honami Yamane, Yasuhito Ohta, et al.
Journal of the American Chemical Society
|
December 15, 2010
SWNT nucleation from carbon-coated SiO2 nanoparticles via a vapor-solid-solid mechanism
Alister J Page, K R S Chandrakumar, Stephan Irle, et al.
Journal of the American Chemical Society
|
May 13, 2011
Dramatic reduction of IR vibrational cross sections of molecules encapsulated in carbon nanotubes
Dmitry V Kazachkin, Yoshifumi Nishimura, Henryk A Witek, et al.
Journal of Chemical Theory and Computation
|
November 26, 2015
Effects of Molecular Dynamics Thermostats on Descriptions of Chemical Nonequilibrium
Alister J Page, Tetsushi Isomoto, Jan M Knaup, et al.
Page
of 17