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The Journal of Physical Chemistry. A
|
June 1, 2017
Improved pK<sub>a</sub> Prediction of Substituted Alcohols, Phenols, and Hydroperoxides in Aqueous Medium Using Density Functional Theory and a Cluster-Continuum Solvation Model
Bishnu Thapa, H Bernhard Schlegel
The Journal of Physical Chemistry. A
|
September 11, 2009
Ab initio classical trajectory study of the dissociation of neutral and positively charged methanimine (CH2NHn+ n = 0-2)
Jia Zhou, H Bernhard Schlegel
The Journal of Physical Chemistry. A
|
June 22, 2016
Density Functional Theory Calculation of pKa's of Thiols in Aqueous Solution Using Explicit Water Molecules and the Polarizable Continuum Model
Bishnu Thapa, H Bernhard Schlegel
Journal of Computational Chemistry
|
October 29, 2018
Controlling the strong field fragmentation of ClCHO<sup>+</sup> using two laser pulses -an ab initio molecular dynamics simulation
Xuetao Shi, H Bernhard Schlegel
The Journal of Physical Chemistry. A
|
June 28, 2011
Dissociation of H2NCH dication in a strong laser field
Jia Zhou, H Bernhard Schlegel
The Journal of Physical Chemistry. A
|
October 8, 2014
Calculations of pKa's and redox potentials of nucleobases with explicit waters and polarizable continuum solvation
Bishnu Thapa, H Bernhard Schlegel
The Journal of Physical Chemistry. A
|
May 17, 2019
Virtual Issue on Strong Field Chemistry
Wen Li, H Bernhard Schlegel
The Journal of Physical Chemistry. A
|
February 25, 2010
Ab initio molecular dynamics study of the reaction between Th(+) and H(2)O
Jia Zhou, H Bernhard Schlegel
The Journal of Physical Chemistry. A
|
August 9, 2022
Correction to "The Bond Dissociation Energy of the N-O Bond"
Robert D Bach, H Bernhard Schlegel
The Journal of Physical Chemistry. A
|
June 4, 2021
The Bond Dissociation Energy of the N-O Bond
Robert D Bach, H Bernhard Schlegel
Page
of 27
Search research articles
Search
Showing results (21-30 of 261) with videos related to
Sort By:
Page
of 27
The Journal of Physical Chemistry. A
|
June 1, 2017
Improved pK<sub>a</sub> Prediction of Substituted Alcohols, Phenols, and Hydroperoxides in Aqueous Medium Using Density Functional Theory and a Cluster-Continuum Solvation Model
Bishnu Thapa, H Bernhard Schlegel
The Journal of Physical Chemistry. A
|
September 11, 2009
Ab initio classical trajectory study of the dissociation of neutral and positively charged methanimine (CH2NHn+ n = 0-2)
Jia Zhou, H Bernhard Schlegel
The Journal of Physical Chemistry. A
|
June 22, 2016
Density Functional Theory Calculation of pKa's of Thiols in Aqueous Solution Using Explicit Water Molecules and the Polarizable Continuum Model
Bishnu Thapa, H Bernhard Schlegel
Journal of Computational Chemistry
|
October 29, 2018
Controlling the strong field fragmentation of ClCHO<sup>+</sup> using two laser pulses -an ab initio molecular dynamics simulation
Xuetao Shi, H Bernhard Schlegel
The Journal of Physical Chemistry. A
|
June 28, 2011
Dissociation of H2NCH dication in a strong laser field
Jia Zhou, H Bernhard Schlegel
The Journal of Physical Chemistry. A
|
October 8, 2014
Calculations of pKa's and redox potentials of nucleobases with explicit waters and polarizable continuum solvation
Bishnu Thapa, H Bernhard Schlegel
The Journal of Physical Chemistry. A
|
May 17, 2019
Virtual Issue on Strong Field Chemistry
Wen Li, H Bernhard Schlegel
The Journal of Physical Chemistry. A
|
February 25, 2010
Ab initio molecular dynamics study of the reaction between Th(+) and H(2)O
Jia Zhou, H Bernhard Schlegel
The Journal of Physical Chemistry. A
|
August 9, 2022
Correction to "The Bond Dissociation Energy of the N-O Bond"
Robert D Bach, H Bernhard Schlegel
The Journal of Physical Chemistry. A
|
June 4, 2021
The Bond Dissociation Energy of the N-O Bond
Robert D Bach, H Bernhard Schlegel
Page
of 27