logo
科言猫学术研究的AI总结
language
手机端手机端
  • Phone Feature微信小程序
简体中文简体中文
notice消息通知
博客博客
delete
arrow
返回
G

Giovanni Scalmani

universitat d'alacant

49H指数
112论文数
2.3W被引数
收录论文 67
发表时间
logo
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
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
err分享
err收藏
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
err分享
err收藏
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.
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
err分享
err收藏
Molecular Dynamics Simulations Enforcing Nonperiodic Boundary Conditions: New Developments and Application to the Solvent Shifts of Nitroxide Magnetic Parameters
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2022-03-08
err7
errOAAI
errMancini, Giordano; Fuse, Marco; Lipparini, Filippo; Nottoli, Michele; Scalmani, Giovanni; Barone, Vincenzo
err分享
err收藏
Simple Protocol for Capturing Both Linear-Response and State-Specific Effects in Excited-State Calculations with Continuum Solvation Models
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2021-07-05
err44
PREAI
errGuido, Ciro A.; Chrayteh, Amara; Scalmani, Giovanni; Mennucci, Benedetta; Jacquemin, Denis
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
err分享
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
Double hybrids and time-dependent density functional theory: An implementation and benchmark on charge transfer excited states
errJOURNAL OF COMPUTATIONAL CHEMISTRY
IF4.8
err2020-02-19
err50
errOAAI
errOttochian, Alistar; Morgillo, Carmela; Ciofini, Ilaria; Frisch, Michael J.; Scalmani, Giovanni; Adamo, Carlo
err分享
err收藏
Quantum Calculations in Solution of Energies, Structures, and Properties with a Domain Decomposition Polarizable Continuum Model
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2019-09-11
err12
PREAI
errNottoli, Michele; Stamm, Benjamin; Scalmani, Giovanni; Lipparini, Filippo
err分享
err收藏
M11plus: A Range-Separated Hybrid Meta Functional with Both Local and Rung-3.5 Correlation Terms and High Across-the-Board Accuracy for Chemical Applications
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2019-08-05
err27
errOAAI
errVerma, Pragya; Janesko, Benjamin G.; Wang, Ying; He, Xiao; Scalmani, Giovanni; Frisch, Michael J.; Truhlar, Donald G.
err分享
err收藏
Towards large scale hybrid QM/MM dynamics of complex systems with advanced point dipole polarizable embeddings
errCHEMICAL SCIENCE
IF7.4
err2019-01-01
err50
errOAAI
errLoco, Daniele; Lagardere, Louis; Cisneros, Gerardo A.; Scalmani, Giovanni; Frisch, Michael; Lipparini, Filippo; Mennucci, Benedetta; Piquemal, Jean-Philip
err分享
err收藏
Long-range-corrected Rung 3.5 density functional approximations
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2018-03-13
err21
errOAAI
errJanesko, Benjamin G.; Proynov, Emil; Scalmani, Giovanni; Frisch, Michael J.
err分享
err收藏
Density-Dependent Formulation of Dispersion-Repulsion Interactions in Hybrid Multiscale Quantum/Molecular Mechanics (QM/MM) Models混合多尺度量子/分子力学 (QM/MM) 模型中色散-排斥相互作用的密度依赖性公式
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2018-02-13
err28
errOAAI
errCurutchet, Carles; Cupellini, Lorenzo; Kongsted, Jacob; Corni, Stefano; Frediani, Luca; Steindal, Arnfinn Hykkerud; Guido, Ciro A.; Scalmani, Giovanni; Mennucci, Benedetta
err分享
err收藏
Excited State Dipole Moments in Solution: Comparison between State-Specific and Linear-Response TD-DFT Values
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2018-01-31
err35
PREAI
errGuido, Ciro Achille; Mennucci, Benedetta; Scalmani, Giovanni; Jacquemin, Denis
err分享
err收藏
How are the charge transfer descriptors affected by the quality of the underpinning electronic density?
errJOURNAL OF COMPUTATIONAL CHEMISTRY
IF4.8
err2018-01-10
err24
PREAI
errMaschietto, Federica; Campetella, Marco; Frisch, Michael J.; Scalmani, Giovanni; Adamo, Carlo; Ciofini, Ilaria
err分享
err收藏
Accurate Excited-State Geometries: A CASPT2 and Coupled-Cluster Reference Database for Small Molecules
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2017-12-01
err56
errOAAI
errBudzak, Simon; Scalmani, Giovanni; Jacquemin, Denis
err分享
err收藏
Comparative Study of Nonhybrid Density Functional Approximations for the Prediction of 3d Transition Metal Thermochemistry
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2017-09-20
err31
PREAI
errDeterman, John J.; Poole, Katelyn; Scalmani, Giovanni; Frisch, Michael J.; Janesko, Benjamin G.; Wilson, Angela K.
err分享
err收藏
Polarizable Embedding Approach for the Analytical Calculation of Raman and Raman Optical Activity Spectra of Solvated Systems
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2017-08-18
err42
errOAAI
errGiovannini, Tommaso; Olszowka, Marta; Egidi, Franco; Cheeseman, James R.; Scalmani, Giovanni; Cappelli, Chiara
err分享
err收藏

研究方向

暂时未获取到该数据
合作学者
合作期刊
D
Donald G. Truhlar
H 指数: 187 · 论文数: 1.9K
J
Jean‐Luc Brédas
H 指数: 151 · 论文数: 1.5K
G
Gustavo E. Scuseria
H 指数: 125 · 论文数: 748
C
Christopher J. Cramer
H 指数: 110 · 论文数: 864
L
Lawrence J. Marnett
H 指数: 109 · 论文数: 688
查看更多