Publications by authors named "Michael Frisch"

Claim this Profile
G
Generalized Internal Coordinates for Creative Exploration of Interatomic Geometries.
Aleksandr V Marenich, Edward N Brothers, Hrant P Hratchian, Michael J Frisch

J Chem Theory Comput· November 2025

Social Media Activity not collected for this article yet.

Sign Up to Request Social Media Analysis
T
Toward Validated Quantum Mechanical Workflows Predicting pH-Dependent Properties: Benchmarking Protocols for Conformational Sampling, Model Solvent, Basis Set, Density Functional, and Empirical Corrections.
Donatus A Agbaglo, Minh T N Ho, Michael J Frisch, Benjamin G Janesko

J Phys Chem A· July 2025

Social Media Activity not collected for this article yet.

Sign Up to Request Social Media Analysis
M
Mechanical and Thermo-Regulative Investigations on Additively Manufactured Backpack Pads.
Niko Nagengast, Yehuda Weizman, Michael Frisch, Tizian Scharl, Franz Konstantin Fuss

Polymers (Basel)· March 2025

Social Media Activity not collected for this article yet.

Sign Up to Request Social Media Analysis
G
Gender Differences in the Dynamics and Kinematics of Running and Their Dependence on Footwear.
Tizian Scharl, Michael Frisch, Franz Konstantin Fuss

Bioengineering (Basel)· December 2024

Social Media Activity not collected for this article yet.

Sign Up to Request Social Media Analysis
I
Increased accuracy of vibrational circular dichroism calculations for isotopically labeled helical peptides.
James R Cheeseman, Michael J Frisch, Timothy A Keiderling

Spectrochim Acta A Mol Biomol Spectrosc· May 2024

Social Media Activity not collected for this article yet.

Sign Up to Request Social Media Analysis
M
Multiple-time scale integration method based on an interpolated potential energy surface for ab initio path integral molecular dynamics.
Jingjing Zheng, Michael J Frisch

J Chem Phys· April 2024

Social Media Activity not collected for this article yet.

Sign Up to Request Social Media Analysis
A
Axial-equatorial equilibrium in substituted cyclohexanes: a DFT perspective on a small but complex problem.
Hanwei Li, Eric Brémond, Juan Carlos Sancho-García, Ángel José Pérez-Jiménez, Giovanni Scalmani, Michael J Frisch

Phys Chem Chem Phys· March 2024

Social Media Activity not collected for this article yet.

Sign Up to Request Social Media Analysis
M
Modeling Multi-Step Organic Reactions: Can Density Functional Theory Deliver Misleading Chemistry?
Hanwei Li, Maryam Mansoori Kermani, Alistar Ottochian, Orlando Crescenzi, Benjamin G Janesko, Michael J Frisch

J Am Chem Soc· March 2024

Social Media Activity not collected for this article yet.

Sign Up to Request Social Media Analysis
C
Comparison of Variational and Perturbative Spin-Orbit Coupling within Two-Component CASSCF.
Can Liao, Chad E Hoyer, Rahoul Banerjee Ghosh, Andrew J Jenkins, Stefan Knecht, Michael J Frisch

J Phys Chem A· March 2024

Social Media Activity not collected for this article yet.

Sign Up to Request Social Media Analysis
M
M11pz: A Nonlocal Meta Functional with Zero Hartree-Fock Exchange and with Broad Accuracy for Chemical Energies and Structures.
Siriluk Kanchanakungwankul, Pragya Verma, Benjamin G Janesko, Giovanni Scalmani, Michael J Frisch

J Chem Theory Comput· December 2023

Social Media Activity not collected for this article yet.

Sign Up to Request Social Media Analysis
C
Comparing Density Functional Theory Metal-Ligand Bond Dissociation Enthalpies with Experimental Solution-Phase Enthalpies of Activation for Bond Dissociation.
Edward N Brothers, Ashfaq A Bengali, Giovanni Scalmani, Benjamin G Janesko, Pragya Verma, Michael J Frisch

J Phys Chem A· November 2023

Social Media Activity not collected for this article yet.

Sign Up to Request Social Media Analysis
B
Barrier Heights for Diels-Alder Transition States Leading to Pentacyclic Adducts: A Benchmark Study of Crowded, Strained Transition States of Large Molecules.
Maryam Mansoori Kermani, Hanwei Li, Alistar Ottochian, Orlando Crescenzi, Benjamin G Janesko, Michael J Frisch

J Phys Chem Lett· July 2023

Social Media Activity not collected for this article yet.

Sign Up to Request Social Media Analysis
A
A Review of Biomechanical and Physiological Effects of Using Poles in Sports.
Maximilian Saller, Niko Nagengast, Michael Frisch, Franz Konstantin Fuss

Bioengineering (Basel)· April 2023

Social Media Activity not collected for this article yet.

Sign Up to Request Social Media Analysis
S
State Interaction Linear Response Time-Dependent Density Functional Theory with Perturbative Spin-Orbit Coupling: Benchmark and Perspectives.
Can Liao, Joseph M Kasper, Andrew J Jenkins, Ping Yang, Enrique R Batista, Michael J Frisch

JACS Au· February 2023

Social Media Activity not collected for this article yet.

Sign Up to Request Social Media Analysis
S
Simultaneous Optimization of Nuclear-Electronic Orbitals.
Aodong Liu, Mathew Chow, Andrew Wildman, Michael J Frisch, Sharon Hammes-Schiffer

J Phys Chem A· October 2022

Social Media Activity not collected for this article yet.

Sign Up to Request Social Media Analysis
I
Improved Geometries and Frequencies with the PFD-3B DFT Method.
Jason M Breslin, Michael J Frisch, George A Petersson

J Phys Chem A· September 2022

Social Media Activity not collected for this article yet.

Sign Up to Request Social Media Analysis
A
A Bond-Energy/Bond-Order and Populations Relationship.
Barbaro Zulueta, Sonia V Tulyani, Phillip R Westmoreland, Michael J Frisch, E James Petersson

J Chem Theory Comput· August 2022

Social Media Activity not collected for this article yet.

Sign Up to Request Social Media Analysis
E
Exact-Two-Component Multiconfiguration Pair-Density Functional Theory.
Prachi Sharma, Andrew J Jenkins, Giovanni Scalmani, Michael J Frisch, Donald G Truhlar

J Chem Theory Comput· May 2022

Social Media Activity not collected for this article yet.

Sign Up to Request Social Media Analysis
T
Two-Component Multireference Restricted Active Space Configuration Interaction for the Computation of L-Edge X-ray Absorption Spectra.
Andrew J Jenkins, Hang Hu, Lixin Lu, Michael J Frisch, Xiaosong Li

J Chem Theory Comput· January 2022

Social Media Activity not collected for this article yet.

Sign Up to Request Social Media Analysis
R
Re-integration with anchor points algorithm for ab initio molecular dynamics.
Jingjing Zheng, Michael J Frisch

J Chem Phys· August 2021

Social Media Activity not collected for this article yet.

Sign Up to Request Social Media Analysis
A
Assessing challenging intra- and inter-molecular charge-transfer excitations energies with double-hybrid density functionals.
Éric Brémond, Alistar Ottochian, Ángel José Pérez-Jiménez, Ilaria Ciofini, Giovanni Scalmani, Michael J Frisch

J Comput Chem· May 2021

Social Media Activity not collected for this article yet.

Sign Up to Request Social Media Analysis
E
Effect of Intrawound Vancomycin Powder in Operatively Treated High-risk Tibia Fractures: A Randomized Clinical Trial.

JAMA Surg· May 2021

Social Media Activity not collected for this article yet.

Sign Up to Request Social Media Analysis
P
Positive Psychotherapy Improves Cardiac Electrical Stability and Mood in ICD Patients: PAM-ICD Trial Results.
Eva R Serber, Lillian M Christon, Joseph L Fava, Richard L Verrier, Bruce D Nearing, Michael B Frisch

Psychosom Med· April 2021

Social Media Activity not collected for this article yet.

Sign Up to Request Social Media Analysis
T
Three-Body Dispersion Corrections to the Spherical Atom Model: The PFD-3B Density Functional.
George A Petersson, Michael J Frisch, Frank Dobek, Barbaro Zulueta

J Phys Chem A· December 2020

Social Media Activity not collected for this article yet.

Sign Up to Request Social Media Analysis
C
Calculation of magnetic properties with density functional approximations including rung 3.5 ingredients.
Giovanni Scalmani, Michael J Frisch, Benjamin G Janesko

J Chem Phys· October 2020

Social Media Activity not collected for this article yet.

Sign Up to Request Social Media Analysis