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Accounts of Chemical Research
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September 30, 2021
Ab Initio Direct Dynamics
H Bernhard Schlegel
Journal of Computational Chemistry
|
July 18, 2003
Exploring potential energy surfaces for chemical reactions: an overview of some practical methods
H Bernhard Schlegel
Journal of Chemical Theory and Computation
|
November 20, 2015
Molecular Dynamics in Strong Laser Fields: A New Algorithm for ab Initio Classical Trajectories
H Bernhard Schlegel
The Journal of Physical Chemistry. A
|
July 17, 2023
Charge Migration in HCCI Cations Probed by Strong Field Ionization: Time-Dependent Configuration Interaction and Vibrational Wavepacket Simulations
H Bernhard Schlegel
The Journal of Physical Chemistry. A
|
November 2, 2016
Theoretical Calculation of pK<sub>a</sub>'s of Selenols in Aqueous Solution Using an Implicit Solvation Model and Explicit Water Molecules
Bishnu Thapa, H Bernhard Schlegel
The Journal of Physical Chemistry. A
|
January 19, 2017
Angular Dependence of Ionization by Circularly Polarized Light Calculated with Time-Dependent Configuration Interaction with an Absorbing Potential
Paul Hoerner, H Bernhard Schlegel
The Journal of Physical Chemistry. A
|
February 20, 2014
Molecular dynamics of methanol monocation (CH₃OH⁺) in strong laser fields
Bishnu Thapa, H Bernhard Schlegel
The Journal of Physical Chemistry Letters
|
May 17, 2019
Virtual Issue on Strong Field Chemistry
Wen Li, H Bernhard Schlegel
The Journal of Physical Chemistry. A
|
October 1, 2014
Molecular dynamics of methylamine, methanol, and methyl fluoride cations in intense 7 micron laser fields
Bishnu Thapa, H Bernhard Schlegel
The Journal of Physical Chemistry. A
|
September 10, 2015
Angle-Dependent Ionization of Hydrides AHn Calculated by Time-Dependent Configuration Interaction with an Absorbing Potential
Pascal Krause, H Bernhard Schlegel
Page
of 17
Search research articles
Search
Showing results (1-10 of 161) with videos related to
Sort By:
Page
of 17
Accounts of Chemical Research
|
September 30, 2021
Ab Initio Direct Dynamics
H Bernhard Schlegel
Journal of Computational Chemistry
|
July 18, 2003
Exploring potential energy surfaces for chemical reactions: an overview of some practical methods
H Bernhard Schlegel
Journal of Chemical Theory and Computation
|
November 20, 2015
Molecular Dynamics in Strong Laser Fields: A New Algorithm for ab Initio Classical Trajectories
H Bernhard Schlegel
The Journal of Physical Chemistry. A
|
July 17, 2023
Charge Migration in HCCI Cations Probed by Strong Field Ionization: Time-Dependent Configuration Interaction and Vibrational Wavepacket Simulations
H Bernhard Schlegel
The Journal of Physical Chemistry. A
|
November 2, 2016
Theoretical Calculation of pK<sub>a</sub>'s of Selenols in Aqueous Solution Using an Implicit Solvation Model and Explicit Water Molecules
Bishnu Thapa, H Bernhard Schlegel
The Journal of Physical Chemistry. A
|
January 19, 2017
Angular Dependence of Ionization by Circularly Polarized Light Calculated with Time-Dependent Configuration Interaction with an Absorbing Potential
Paul Hoerner, H Bernhard Schlegel
The Journal of Physical Chemistry. A
|
February 20, 2014
Molecular dynamics of methanol monocation (CH₃OH⁺) in strong laser fields
Bishnu Thapa, H Bernhard Schlegel
The Journal of Physical Chemistry Letters
|
May 17, 2019
Virtual Issue on Strong Field Chemistry
Wen Li, H Bernhard Schlegel
The Journal of Physical Chemistry. A
|
October 1, 2014
Molecular dynamics of methylamine, methanol, and methyl fluoride cations in intense 7 micron laser fields
Bishnu Thapa, H Bernhard Schlegel
The Journal of Physical Chemistry. A
|
September 10, 2015
Angle-Dependent Ionization of Hydrides AHn Calculated by Time-Dependent Configuration Interaction with an Absorbing Potential
Pascal Krause, H Bernhard Schlegel
Page
of 17