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The Journal of Chemical Physics
|
May 28, 2005
Gradient-based direct normal-mode analysis
Alexey L Kaledin
Journal of Computational Chemistry
|
June 23, 2022
Permutationally invariant polynomial representation of polarizability tensor surfaces for linear regression analysis
Oluwaseun Omodemi, Martina Kaledin, Alexey L Kaledin
The Journal of Physical Chemistry. A
|
March 3, 2006
Vibrational analysis of the H5O2+ infrared spectrum using molecular and driven molecular dynamics
Martina Kaledin, Alexey L Kaledin, Joel M Bowman
The Journal of Physical Chemistry. A
|
February 24, 2025
First-Principles Path Integral Monte Carlo Studies of the Pseudo Jahn-Teller Effect in the Aromatic Cyclo[10]carbon
Anna H James, Martina Kaledin, Alexey L Kaledin
Journal of Chemical Theory and Computation
|
December 3, 2015
All-Atom Calculation of the Normal Modes of Bacteriorhodopsin Using a Sliding Block Iterative Diagonalization Method
Alexey L Kaledin, Martina Kaledin, Joel M Bowman
The Journal of Chemical Physics
|
May 6, 2010
A practical method to avoid zero-point leak in molecular dynamics calculations: application to the water dimer
Gábor Czakó, Alexey L Kaledin, Joel M Bowman
The Journal of Physical Chemistry Letters
|
May 3, 2024
Quantum Monte Carlo Simulations of the Vibrational Wavefunction of the Aromatic Cyclo[10]carbon Using a Full Dimensional Permutationally Invariant Potential Energy Surface
Benjamin D Gibbas, Martina Kaledin, Alexey L Kaledin
The Journal of Chemical Physics
|
August 24, 2019
Size dependent charge separation and recombination in CsPbI<sub>3</sub> perovskite quantum dots
Qiongyi Shang, Alexey L Kaledin, Qiuyang Li, et al.
Chemical Society Reviews
|
March 15, 2014
Versatile reactivity of Pd-catalysts: mechanistic features of the mono-N-protected amino acid ligand and cesium-halide base in Pd-catalyzed C-H bond functionalization
Djamaladdin G Musaev, Travis M Figg, Alexey L Kaledin
The Journal of Chemical Physics
|
August 17, 2010
A semiclassical correction for quantum mechanical energy levels
Alexey L Kaledin, C William McCurdy, William H Miller
Page
of 5
Search research articles
Search
Showing results (1-10 of 44) with videos related to
Sort By:
Page
of 5
The Journal of Chemical Physics
|
May 28, 2005
Gradient-based direct normal-mode analysis
Alexey L Kaledin
Journal of Computational Chemistry
|
June 23, 2022
Permutationally invariant polynomial representation of polarizability tensor surfaces for linear regression analysis
Oluwaseun Omodemi, Martina Kaledin, Alexey L Kaledin
The Journal of Physical Chemistry. A
|
March 3, 2006
Vibrational analysis of the H5O2+ infrared spectrum using molecular and driven molecular dynamics
Martina Kaledin, Alexey L Kaledin, Joel M Bowman
The Journal of Physical Chemistry. A
|
February 24, 2025
First-Principles Path Integral Monte Carlo Studies of the Pseudo Jahn-Teller Effect in the Aromatic Cyclo[10]carbon
Anna H James, Martina Kaledin, Alexey L Kaledin
Journal of Chemical Theory and Computation
|
December 3, 2015
All-Atom Calculation of the Normal Modes of Bacteriorhodopsin Using a Sliding Block Iterative Diagonalization Method
Alexey L Kaledin, Martina Kaledin, Joel M Bowman
The Journal of Chemical Physics
|
May 6, 2010
A practical method to avoid zero-point leak in molecular dynamics calculations: application to the water dimer
Gábor Czakó, Alexey L Kaledin, Joel M Bowman
The Journal of Physical Chemistry Letters
|
May 3, 2024
Quantum Monte Carlo Simulations of the Vibrational Wavefunction of the Aromatic Cyclo[10]carbon Using a Full Dimensional Permutationally Invariant Potential Energy Surface
Benjamin D Gibbas, Martina Kaledin, Alexey L Kaledin
The Journal of Chemical Physics
|
August 24, 2019
Size dependent charge separation and recombination in CsPbI<sub>3</sub> perovskite quantum dots
Qiongyi Shang, Alexey L Kaledin, Qiuyang Li, et al.
Chemical Society Reviews
|
March 15, 2014
Versatile reactivity of Pd-catalysts: mechanistic features of the mono-N-protected amino acid ligand and cesium-halide base in Pd-catalyzed C-H bond functionalization
Djamaladdin G Musaev, Travis M Figg, Alexey L Kaledin
The Journal of Chemical Physics
|
August 17, 2010
A semiclassical correction for quantum mechanical energy levels
Alexey L Kaledin, C William McCurdy, William H Miller
Page
of 5