Michael J Frisch

发表

Basis Set Dependence of Vibrational Raman and Raman Optical Activity Intensities.

James R Cheeseman, Michael J Frisch, M. Frisch, 2011, Journal of chemical theory and computation.

Energy-Represented Direct Inversion in the Iterative Subspace within a Hybrid Geometry Optimization Method.

Xiaosong Li, Michael J Frisch, M. Frisch, 2006, Journal of chemical theory and computation.

Transition State Search Using a Guided Direct Inversion in the Iterative Subspace Method.

Xiaosong Li, Michael J Frisch, Joseph W May, 2012, Journal of chemical theory and computation.

Geometry Optimization with Multilayer Methods Using Least-Squares Minimization.

Xiaosong Li, Michael J Frisch, Wenkel Liang, 2010, Journal of chemical theory and computation.

Double hybrids and time‐dependent density functional theory: An implementation and benchmark on charge transfer excited states

Carlo Adamo, Ilaria Ciofini, Michael J Frisch, 2020, J. Comput. Chem..

Projected Coupled Cluster Amplitudes from a Different Basis Set As Initial Guess.

Michael J Frisch, Marco Caricato, Gary W Trucks, 2011, Journal of chemical theory and computation.

Density of States Guided Møller-Plesset Perturbation Theory.

Xiaosong Li, Michael J Frisch, Bo Peng, 2014, Journal of chemical theory and computation.

Eigenspace Update for Molecular Geometry Optimization in Nonredundant Internal Coordinate.

Xiaosong Li, Haitao Wang, Michael J Frisch, 2010, Journal of chemical theory and computation.

Automatically generated Coulomb fitting basis sets: design and accuracy for systems containing H to Kr.

Rui Yang, Alistair P. Rendell, Michael J Frisch, 2007, The Journal of chemical physics.

Two-Component Noncollinear Time-Dependent Spin Density Functional Theory for Excited State Calculations.

Giovanni Scalmani, Michael J Frisch, Joshua J Goings, 2017, Journal of chemical theory and computation.

Assessment of the efficiency of long-range corrected functionals for some properties of large compounds.

Giovanni Scalmani, Carlo Adamo, Denis Jacquemin, 2007, The Journal of chemical physics.

Efficient evaluation of short-range Hartree-Fock exchange in large molecules and periodic systems.

Michael J Frisch, Artur F Izmaylov, Gustavo E Scuseria, 2006, The Journal of chemical physics.

Electronic Transition Energies: A Study of the Performance of a Large Range of Single Reference Density Functional and Wave Function Methods on Valence and Rydberg States Compared to Experiment.

Michael J Frisch, M. Frisch, G. Trucks, 2010, Journal of chemical theory and computation.

Direct Atomic-Orbital-Based Relativistic Two-Component Linear Response Method for Calculating Excited-State Fine Structures.

Michael J Frisch, Joshua J Goings, Franco Egidi, 2016, Journal of chemical theory and computation.

Transition States in a Protein Environment - ONIOM QM:MM Modeling of Isopenicillin N Synthesis.

Thom Vreven, Keiji Morokuma, Michael J Frisch, 2009, Journal of chemical theory and computation.

A state-specific polarizable continuum model time dependent density functional theory method for excited state calculations in solution.

Roberto Improta, Giovanni Scalmani, Vincenzo Barone, 2006, The Journal of chemical physics.

Using the ONIOM hybrid method to apply equation of motion CCSD to larger systems: benchmarking and comparison with time-dependent density functional theory, configuration interaction singles, and time-dependent Hartree-Fock.

Thom Vreven, Michael J Frisch, M. Frisch, 2009, The Journal of chemical physics.

Energy-Specific Linear Response TDHF/TDDFT for Calculating High-Energy Excited States.

Michael J Frisch, Wenkel Liang, M. Frisch, 2011, Journal of chemical theory and computation.

First hyperpolarizability of polymethineimine with long-range corrected functionals.

Giovanni Scalmani, Carlo Adamo, Denis Jacquemin, 2007, The Journal of chemical physics.

Modeling Proton Transfer in Zeolites: Convergence Behavior of Embedded and Constrained Cluster Calculations.

Thom Vreven, Michael J Frisch, M. Frisch, 2005, Journal of chemical theory and computation.

Self-Consistent Field and Polarizable Continuum Model: A New Strategy of Solution for the Coupled Equations.

Giovanni Scalmani, Benedetta Mennucci, Michael J Frisch, 2011, Journal of chemical theory and computation.

Combining Quantum Mechanics Methods with Molecular Mechanics Methods in ONIOM.

Thom Vreven, Keiji Morokuma, Michael J Frisch, 2006, Journal of chemical theory and computation.

A Comparison of Three Variants of the Generalized Davidson Algorithm for the Partial Diagonalization of Large Non-Hermitian Matrices.

Michael J Frisch, M. Frisch, G. Trucks, 2010, Journal of chemical theory and computation.

Quantum Calculations in Solution for Large to Very Large Molecules: A New Linear Scaling QM/Continuum Approach.

Benjamin Stamm, Giovanni Scalmani, Yvon Maday, 2014, The journal of physical chemistry letters.

Quantifying Electron Delocalization in Electrides.

Giovanni Scalmani, Michael J Frisch, Benjamin G Janesko, 2016, Journal of chemical theory and computation.

Analytical energy gradient of the symmetry-adapted-cluster configuration-interaction general-R method for singlet to septet ground and excited states.

Masahiro Ehara, Hiroshi Nakatsuji, Michael J Frisch, 2004, The Journal of chemical physics.

Unrestricted Coupled Cluster and Brueckner Doubles Variations of W1 Theory.

Michael J Frisch, G. A. Petersson, Ericka C Barnes, 2009, Journal of chemical theory and computation.

Quantifying solvated electrons' delocalization.

Giovanni Scalmani, Michael J Frisch, Benjamin G Janesko, 2015, Physical chemistry chemical physics : PCCP.

Geometries and properties of excited states in the gas phase and in solution: theory and application of a time-dependent density functional theory polarizable continuum model.

Jacopo Tomasi, Roberto Cammi, Giovanni Scalmani, 2006, The Journal of chemical physics.

Electron Delocalization Range in Atoms and on Molecular Surfaces.

Giovanni Scalmani, Michael J Frisch, Benjamin G Janesko, 2016, Journal of chemical theory and computation.

Studies of the ground and excited-state surfaces of the retinal chromophore using CAM-B3LYP.

Giovanni Scalmani, Michael J Frisch, Rika Kobayashi, 2010, The journal of physical chemistry. B.

Time-dependent density functional theory investigation of the absorption, fluorescence, and phosphorescence spectra of solvated coumarins.

Giovanni Scalmani, Carlo Adamo, Denis Jacquemin, 2006, The Journal of chemical physics.

A variational formulation of the polarizable continuum model.

Giovanni Scalmani, Benedetta Mennucci, Eric Cancès, 2010, The Journal of chemical physics.

Continuous surface charge polarizable continuum models of solvation. I. General formalism.

Giovanni Scalmani, Michael J Frisch, M. Frisch, 2010, The Journal of chemical physics.

How far do electrons delocalize?

Giovanni Scalmani, Michael J Frisch, Benjamin G Janesko, 2014, The Journal of chemical physics.

QM:QM electronic embedding using Mulliken atomic charges: energies and analytic gradients in an ONIOM framework.

Thom Vreven, Krishnan Raghavachari, Michael J Frisch, 2008, The Journal of chemical physics.

Calculation of Nuclear Spin-Spin Coupling Constants of Molecules with First and Second Row Atoms in Study of Basis Set Dependence.

James R Cheeseman, Michael J Frisch, M. Frisch, 2006, Journal of chemical theory and computation.