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Shigeru Nagase

Showing results (11-20 of 269) with videos related to

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Accounts of Chemical Research|May 3, 2013
Carbide cluster metallofullerenes: structure, properties, and possible originXing Lu, Takeshi Akasaka, Shigeru Nagase
Journal of Computational Chemistry|October 1, 2013
Optimization of RI-MP2 auxiliary basis functions for 6-31G** and 6-311G** basis sets for first-, second-, and third-row elementsMasato Tanaka, Michio Katouda, Shigeru Nagase
Molecules (Basel, Switzerland)|July 15, 2017
Functionalization of Endohedral Metallofullerenes with Reactive Silicon and Germanium CompoundsMasahiro Kako, Shigeru Nagase, Takeshi Akasaka
Physical Chemistry Chemical Physics : PCCP|January 14, 2011
Di-lanthanide encapsulated into large fullerene C100: a DFT surveyTao Yang, Xiang Zhao, Shigeru Nagase
Journal of Chemical Theory and Computation|December 3, 2015
H2, Ne, and N2 Energies of Encapsulation into C60 Evaluated with the MPWB1K FunctionalZdeněk Slanina, Peter Pulay, Shigeru Nagase
The Journal of Physical Chemistry. A|November 28, 2006
Computed structures of two known Yb@C74 isomersZdenĕk Slanina, Filip Uhlík, Shigeru Nagase
Journal of Computational Chemistry|April 24, 2007
New parallel algorithm for MP2 energy gradient calculationsKazuya Ishimura, Peter Pulay, Shigeru Nagase
Journal of Computational Chemistry|July 9, 2013
1,3-Dipolar cycloadditions of Stone-Wales defective single-walled carbon nanotubes: A theoretical studyTao Yang, Xiang Zhao, Shigeru Nagase
Organic Letters|November 20, 2013
Cycloaddition of benzyne to armchair single-walled carbon nanotubes: [2 + 2] or [4 + 2]?Tao Yang, Xiang Zhao, Shigeru Nagase
The Journal of Chemical Physics|July 23, 2004
Ca at C82 isomers: computed temperature dependency of relative concentrationsZdenek Slanina, Kaoru Kobayashi, Shigeru Nagase
Pageof 27

Showing results (11-20 of 269) with videos related to

Sort By:
Pageof 27
Accounts of Chemical Research|May 3, 2013
Carbide cluster metallofullerenes: structure, properties, and possible originXing Lu, Takeshi Akasaka, Shigeru Nagase
Journal of Computational Chemistry|October 1, 2013
Optimization of RI-MP2 auxiliary basis functions for 6-31G** and 6-311G** basis sets for first-, second-, and third-row elementsMasato Tanaka, Michio Katouda, Shigeru Nagase
Molecules (Basel, Switzerland)|July 15, 2017
Functionalization of Endohedral Metallofullerenes with Reactive Silicon and Germanium CompoundsMasahiro Kako, Shigeru Nagase, Takeshi Akasaka
Physical Chemistry Chemical Physics : PCCP|January 14, 2011
Di-lanthanide encapsulated into large fullerene C100: a DFT surveyTao Yang, Xiang Zhao, Shigeru Nagase
Journal of Chemical Theory and Computation|December 3, 2015
H2, Ne, and N2 Energies of Encapsulation into C60 Evaluated with the MPWB1K FunctionalZdeněk Slanina, Peter Pulay, Shigeru Nagase
The Journal of Physical Chemistry. A|November 28, 2006
Computed structures of two known Yb@C74 isomersZdenĕk Slanina, Filip Uhlík, Shigeru Nagase
Journal of Computational Chemistry|April 24, 2007
New parallel algorithm for MP2 energy gradient calculationsKazuya Ishimura, Peter Pulay, Shigeru Nagase
Journal of Computational Chemistry|July 9, 2013
1,3-Dipolar cycloadditions of Stone-Wales defective single-walled carbon nanotubes: A theoretical studyTao Yang, Xiang Zhao, Shigeru Nagase
Organic Letters|November 20, 2013
Cycloaddition of benzyne to armchair single-walled carbon nanotubes: [2 + 2] or [4 + 2]?Tao Yang, Xiang Zhao, Shigeru Nagase
The Journal of Chemical Physics|July 23, 2004
Ca at C82 isomers: computed temperature dependency of relative concentrationsZdenek Slanina, Kaoru Kobayashi, Shigeru Nagase
Pageof 27