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M

Michael J. Frisch

universitat d'alacant

98H指数
354论文数
9.3W被引数
收录论文 139
发表时间
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Weak Noncovalent Interactions in Nonequilibrium Structures: How Good Are the Dispersion Corrections?
errJOURNAL OF PHYSICAL CHEMISTRY LETTERS
IF4.6
err2026-01-01
err0
PREAI
errBriccolani-Bandini, Lorenzo; Gnnanapareddy, Bhavesh; Labat, Frederic; Bremond, Eric; Sancho-Garcia, Juan Carlos; Otero-de-la-Roza, Alberto; Scalmani, Giovanni; Frisch, Michael J.; Cardini, Gianni; DiLabio, Gino A.; Adamo, Carlo
err分享
err收藏
Generalized Internal Coordinates for Creative Exploration of Interatomic Geometries
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2025-10-01
err2
PREAI
errMarenich, Aleksandr V.; Brothers, Edward N.; Hratchian, Hrant P.; Frisch, Michael J.
err分享
err收藏
Computational efficiency meets spectroscopic accuracy: an unsupervised workflow for equilibrium geometries and vibrational effects in gas-phase prebiotic molecules计算效率与光谱精度兼备：一种用于气相前体分子平衡构型和振动效应的无监督工作流程
errPhys. Chem. Chem. Phys.
IF2.9
err2025-08-11
err0
PREAI
errMarco Mendolicchio; Lina Uribe; Federico Lazzari; Luigi Crisci; Giovanni Scalmani; Micheal J. Frisch; Vincenzo Barone
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Toward Validated Quantum Mechanical Workflows Predicting pH-Dependent Properties: Benchmarking Protocols for Conformational Sampling; Model Solvent; Basis Set; Density Functional; and Empirical Corrections朝向预测pH依赖性特性的验证量子力学工作流：构象采样的基准测试协议；模型溶剂；基组；密度泛函；以及经验校正
errThe Journal of Physical Chemistry A
IF0
err2025-07-22
err0
PREAI
errDonatus A. Agbaglo; Minh T. N. Ho; Michael J. Frisch; Benjamin G. Janesko
err分享
err收藏
Mechanical and Thermo-Regulative Investigations on Additively Manufactured Backpack Pads增材制造背包垫的机械与热调节性能研究
errPOLYMERS
IF4.9
err2025-03-11
err0
errOAAI
errNagengast, Niko; Weizman, Yehuda; Frisch, Michael; Scharl, Tizian; Fuss, Franz Konstantin
err分享
err收藏
Gender Differences in the Dynamics and Kinematics of Running and Their Dependence on Footwear
errBIOENGINEERING-BASEL
IF3.7
err2024-12-12
err0
errOAAI
errScharl, Tizian; Frisch, Michael; Fuss, Franz Konstantin
err分享
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Increased accuracy of vibrational circular dichroism calculations for isotopically labeled helical peptides
errSPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY
IF4.6
err2024-05-01
err0
errOAAI
errCheeseman, James R.; Frisch, Michael J.; Keiderling, Timothy A.
err分享
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Multiple-time scale integration method based on an interpolated potential energy surface for ab initio path integral molecular dynamics
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2024-04-10
err1
errOAAI
errZheng, Jingjing; Frisch, Michael J.
err分享
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Modeling Multi-Step Organic Reactions: Can Density Functional Theory Deliver Misleading Chemistry?多步有机反应的理论模拟：密度泛函理论会给出误导性的化学结果吗？
errJOURNAL OF THE AMERICAN CHEMICAL SOCIETY
IF15.6
err2024-02-27
err2
errOAAI
errLi, Hanwei; Kermani, Maryam Mansoori; Ottochian, Alistar; Crescenzi, Orlando; Janesko, Benjamin G.; Truhlar, Donald G.; Scalmani, Giovanni; Frisch, Michael J.; Ciofini, Ilaria; Adamo, Carlo
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M11pz: A Nonlocal Meta Functional with Zero Hartree-Fock Exchange and with Broad Accuracy for Chemical Energies and StructuresM11pz: 具有零hartree-fock交换且对化学能和结构具有广泛准确性的非局部元功能
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2023-12-14
err2
PREAI
errKanchanakungwankul, Siriluk; Verma, Pragya; Janesko, Benjamin G.; Scalmani, Giovanni; Frisch, Michael J.; Truhlar, Donald G.
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err收藏
A Review of Biomechanical and Physiological Effects of Using Poles in Sports
errBIOENGINEERING-BASEL
IF3.7
err2023-04-21
err4
errOAAI
errSaller, Maximilian; Nagengast, Niko; Frisch, Michael; Fuss, Franz Konstantin
err分享
err收藏
State Interaction Linear Response Time-Dependent Density Functional Theory with Perturbative Spin-Orbit Coupling: Benchmark and Perspectives
errJACS AU
IF8.7
err2023-02-01
err9
errOAAI
errLiao, Can; Kasper, Joseph M.; Jenkins, Andrew J.; Yang, Ping; Batista, Enrique R.; Frisch, Michael J.; Li, Xiaosong
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err收藏
A Bond-Energy/Bond-Order and Populations Relationship
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2022-07-18
err10
errOAAI
errZulueta, Barbaro; Tulyani, Sonia, V; Westmoreland, Phillip R.; Frisch, Michael J.; Petersson, E. James; Petersson, George A.; Keith, John A.
err分享
err收藏
Exact-Two-Component Multiconfiguration Pair-Density Functional Theory
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2022-04-06
err18
PREAI
errSharma, Prachi; Jenkins, Andrew J.; Scalmani, Giovanni; Frisch, Michael J.; Truhlar, Donald G.; Gagliardi, Laura; Li, Xiaosong
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err收藏
Two-Component Multireference Restricted Active Space Configuration Interaction for the Computation of L-Edge X-ray Absorption Spectra
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2021-12-15
err17
errOAAI
errJenkins, Andrew J.; Hu, Hang; Lu, Lixin; Frisch, Michael J.; Li, Xiaosong
err分享
err收藏
Re-integration with anchor points algorithm for ab initio molecular dynamics
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2021-08-18
err2
PREAI
errZheng, Jingjing; Frisch, Michael J.
err分享
err收藏
Assessing challenging intra- and inter-molecular charge-transfer excitations energies with double-hybrid density functionals
errJOURNAL OF COMPUTATIONAL CHEMISTRY
IF4.8
err2021-03-21
err32
errOAAI
errBremond, Eric; Ottochian, Alistar; Perez-Jimenez, Angel Jose; Ciofini, Ilaria; Scalmani, Giovanni; Frisch, Michael J.; Sancho-Garcia, Juan Carlos; Adamo, Carlo
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err收藏
Calculation of magnetic properties with density functional approximations including rung 3.5 ingredients
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2020-10-22
err1
PREAI
errScalmani, Giovanni; Frisch, Michael J.; Janesko, Benjamin G.
err分享
err收藏
Variational Relativistic Two-Component Complete-Active-Space Self-Consistent Field Method (vol 15, pg 2974, 2019)
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2020-04-10
err0
PREAI
errJenkins, Andrew J.; Liu, Hongbin; Kasper, Joseph M.; Frisch, Michael J.; Li, Xiaosong
err分享
err收藏
Relativistic Two-Component Multireference Configuration Interaction Method with Tunable Correlation Space
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2020-04-10
err46
PREAI
errHu, Hang; Jenkins, Andrew J.; Liu, Hongbin; Kasper, Joseph M.; Frisch, Michael J.; Li, Xiaosong
err分享
err收藏

研究方向

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