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Journal of Chemical Theory and Computation
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October 19, 2017
Efficient Geometry Minimization and Transition Structure Optimization Using Interpolated Potential Energy Surfaces and Iteratively Updated Hessians
Jingjing Zheng, Michael J Frisch
The Journal of Chemical Physics
|
March 25, 2010
Continuous surface charge polarizable continuum models of solvation. I. General formalism
Giovanni Scalmani, Michael J Frisch
The Journal of Chemical Physics
|
April 10, 2024
Multiple-time scale integration method based on an interpolated potential energy surface for ab initio path integral molecular dynamics
Jingjing Zheng, Michael J Frisch
The Journal of Chemical Physics
|
March 25, 2011
Comment on "A smooth, nonsingular, and faithful discretization scheme for polarizable continuum models: the switching/gaussian approach" [J. Chem. Phys. 133, 244111 (2010)]
Giovanni Scalmani, Michael J Frisch
Journal of Chemical Theory and Computation
|
December 3, 2015
Energy-Represented Direct Inversion in the Iterative Subspace within a Hybrid Geometry Optimization Method
Xiaosong Li, Michael J Frisch
The Journal of Chemical Physics
|
August 22, 2021
Re-integration with anchor points algorithm for ab initio molecular dynamics
Jingjing Zheng, Michael J Frisch
Journal of Chemical Theory and Computation
|
November 22, 2015
A New Approach to Noncollinear Spin Density Functional Theory beyond the Local Density Approximation
Giovanni Scalmani, Michael J Frisch
The Journal of Chemical Physics
|
September 9, 2004
Effect of time-dependent basis functions and their superposition error on atom-centered density matrix propagation (ADMP): connections to wavelet theory of multiresolution analysis
Srinivasan S Iyengar, Michael J Frisch
Journal of Chemical Theory and Computation
|
February 5, 2016
Effect of Conjugation on Electron Distributions. Separation of σ and π Terms
Kenneth B Wiberg, Michael J Frisch
Journal of Chemical Theory and Computation
|
November 25, 2015
Basis Set Dependence of Vibrational Raman and Raman Optical Activity Intensities
James R Cheeseman, Michael J Frisch
Page
of 12
Search research articles
Search
Showing results (1-10 of 116) with videos related to
Sort By:
Page
of 12
Journal of Chemical Theory and Computation
|
October 19, 2017
Efficient Geometry Minimization and Transition Structure Optimization Using Interpolated Potential Energy Surfaces and Iteratively Updated Hessians
Jingjing Zheng, Michael J Frisch
The Journal of Chemical Physics
|
March 25, 2010
Continuous surface charge polarizable continuum models of solvation. I. General formalism
Giovanni Scalmani, Michael J Frisch
The Journal of Chemical Physics
|
April 10, 2024
Multiple-time scale integration method based on an interpolated potential energy surface for ab initio path integral molecular dynamics
Jingjing Zheng, Michael J Frisch
The Journal of Chemical Physics
|
March 25, 2011
Comment on "A smooth, nonsingular, and faithful discretization scheme for polarizable continuum models: the switching/gaussian approach" [J. Chem. Phys. 133, 244111 (2010)]
Giovanni Scalmani, Michael J Frisch
Journal of Chemical Theory and Computation
|
December 3, 2015
Energy-Represented Direct Inversion in the Iterative Subspace within a Hybrid Geometry Optimization Method
Xiaosong Li, Michael J Frisch
The Journal of Chemical Physics
|
August 22, 2021
Re-integration with anchor points algorithm for ab initio molecular dynamics
Jingjing Zheng, Michael J Frisch
Journal of Chemical Theory and Computation
|
November 22, 2015
A New Approach to Noncollinear Spin Density Functional Theory beyond the Local Density Approximation
Giovanni Scalmani, Michael J Frisch
The Journal of Chemical Physics
|
September 9, 2004
Effect of time-dependent basis functions and their superposition error on atom-centered density matrix propagation (ADMP): connections to wavelet theory of multiresolution analysis
Srinivasan S Iyengar, Michael J Frisch
Journal of Chemical Theory and Computation
|
February 5, 2016
Effect of Conjugation on Electron Distributions. Separation of σ and π Terms
Kenneth B Wiberg, Michael J Frisch
Journal of Chemical Theory and Computation
|
November 25, 2015
Basis Set Dependence of Vibrational Raman and Raman Optical Activity Intensities
James R Cheeseman, Michael J Frisch
Page
of 12