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M

Miquel Huix‐Rotllant

Aix Marseille Univ and CNRS

26H指数
120论文数
3.4K被引数
收录论文 40
发表时间
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Impact of solvation on the photoisomerization mechanism of oxindole switches with electron-donating substituents带有给电子取代基的恶酮开关的光异构化机制中溶剂化效应的影响
errPhotochemical & Photobiological Sciences
IF3.2
err2026-02-16
err0
PREAI
errMiquel Huix-Rotllant; Abdul Qadeer; Daniel Roca-Sanjuán; Javier Segarra-Martí; Cheol Ho Choi
err分享
err收藏
Toward the modeling of static electric field effects in rhodopsin photophysics using QM/MM calculations利用QM/MM计算对视紫红质光物理学中静电场效应的建模
errTHEORETICAL CHEMISTRY ACCOUNTS
IF1.5
err2025-09-12
err0
PREAI
errEder, Isabel; Huix-Rotllant, Miquel; Ferre, Nicolas
err分享
err收藏
Efficient Polarizable QM/MM Using the Direct Reaction Field Hamiltonian with Electrostatic Potential Fitted Multipole Operators
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2024-12-20
err0
errOAAI
errFay, Thomas P.; Ferre, Nicolas; Huix-Rotllant, Miquel
err分享
err收藏
α-Trifluoromethylated Quinolines as Safe and Storable PET-Donor for Radical Polymerizations.
errMACROMOLECULAR RAPID COMMUNICATIONS
IF4.3
err2024-11-05
err0
errOAAI
errFall, Arona; Tintori, Guillaume; Rollet, Marion; Zhao, Yuxi; Avenel, Amandine; Charles, Laurence; Berge-Lefranc, David; Clement, Jean Louis; Redon, Sebastien; Gigmes, Didier; Huix-Rotllant, Miquel; Vanelle, Patrice; Broggi, Julie
err分享
err收藏
OpenQP: A Quantum Chemical Platform Featuring MRSF-TDDFT with an Emphasis on Open-Source Ecosystem
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2024-10-30
err4
PREAI
errMironov, Vladimir; Komarov, Konstantin; Li, Jingbai; Gerasimov, Igor; Nakata, Hiroya; Mazaherifar, Mohsen; Ishimura, Kazuya; Park, Woojin; Lashkaripour, Alireza; Oh, Minseok; Huix-Rotllant, Miquel; Lee, Seunghoon; Choi, Cheol Ho
err分享
err收藏
Toward Consistent Predictions of Core/Valence Ionization Potentials and Valence Excitation Energies by MRSF-TDDFT
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2024-06-21
err6
PREAI
errPark, Woojin; Lashkaripour, Alireza; Komarov, Konstantin; Lee, Seunghoon; Huix-Rotllant, Miquel; Choi, Cheol Ho
err分享
err收藏
Analytic Gradients for the Electrostatic Embedding QM/MM Model in Periodic Boundary Conditions Using Particle-Mesh Ewald Sums and Electrostatic Potential Fitted Charge Operators
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2024-05-07
err2
PREAI
errBonfrate, Simone; Ferre, Nicolas; Huix-Rotllant, Miquel
err分享
err收藏
Modeling pH-Dependent Biomolecular Photochemistry
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2024-01-10
err1
errOAAI
errPieri, Elisa; Weingart, Oliver; Huix-Rotllant, Miquel; Ledentu, Vincent; Garavelli, Marco; Ferre, Nicolas
err分享
err收藏
Direct formation of HONO through aqueous-phase photolysis of organic nitrates
errATMOSPHERIC CHEMISTRY AND PHYSICS
IF5.1
err2023-12-08
err3
errOAAI
errGonzalez-Sanchez, Juan Miguel; Huix-Rotllant, Miquel; Brun, Nicolas; Morin, Julien; Demelas, Carine; Durand, Amandine; Ravier, Sylvain; Clement, Jean-Louis; Monod, Anne
err分享
err收藏
Assessment of the Electron Correlation Treatment on the Quantum-Classical Dynamics of Retinal Protonated Schiff Base Models: XMS-CASPT2, RMS-CASPT2, and REKS Methods
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2023-11-08
err10
errOAAI
errBarneschi, Leonardo; Kaliakin, Danil; Huix-Rotllant, Miquel; Ferre, Nicolas; Filatov(Gulak), Michael; Olivucci, Massimo
err分享
err收藏
Doubly Tuned Exchange-Correlation Functionals for Mixed-Reference Spin-Flip Time-Dependent Density Functional Theory
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2023-10-16
err7
errOAAI
errKomarov, Konstantin; Park, Woojin; Lee, Seunghoon; Huix-Rotllant, Miquel; Choi, Cheol Ho
err分享
err收藏
The OpenMolcas Web: A Community-Driven Approach to Advancing Computational ChemistryOpenMolcas Web: 一种社区驱动的推进计算化学的方法
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2023-05-22
err127
errOAAI
errManni, Giovanni Li; Galvan, Ignacio Fdez.; Alavi, Ali; Aleotti, Flavia; Aquilante, Francesco; Autschbach, Jochen; Avagliano, Davide; Baiardi, Alberto; Bao, Jie J.; Battaglia, Stefano; Birnoschi, Letitia; Blanco-Gonzalez, Alejandro; Bokarev, Sergey I.; Broer, Ria; Cacciari, Roberto; Calio, Paul B.; Carlson, Rebecca K.; Couto, Rafael Carvalho; Cerdan, Luis; Chibotaru, Liviu F.; Chilton, Nicholas F.; Church, Jonathan Richard; Conti, Irene; Coriani, Sonia; Cuellar-Zuquin, Juliana; Daoud, Razan E.; Dattani, Nike; Decleva, Piero; de Graaf, Coen; Delcey, Mickael G.; De Vico, Luca; Dobrautz, Werner; Dong, Sijia S.; Feng, Rulin; Ferre, Nicolas; Filatov (Gulak), Michael; Gagliardi, Laura; Garavelli, Marco; Gonzalez, Leticia; Guan, Yafu; Guo, Meiyuan; Hennefarth, Matthew R.; Hermes, Matthew R.; Hoyer, Chad E.; Huix-Rotllant, Miquel; Jaiswal, Vishal Kumar; Kaiser, Andy; Kaliakin, Danil S.; Khamesian, Marjan; King, Daniel S.; Kochetov, Vladislav; Krosnicki, Marek; Kumaar, Arpit Arun; Larsson, Ernst D.; Lehtola, Susi; Lepetit, Marie-Bernadette; Lischka, Hans; Rios, Pablo Lopez; Lundberg, Marcus; Ma, Dongxia; Mai, Sebastian; Marquetand, Philipp; Merritt, Isabella C. D.; Montorsi, Francesco; Morchen, Maximilian; Nenov, Artur; Vu Ha Anh Nguyen; Nishimoto, Yoshio; Oakley, Meagan S.; Olivucci, Massimo; Oppel, Markus; Padula, Daniele; Pandharkar, Riddhish; Quan Manh Phung; Plasser, Felix; Raggi, Gerardo; Rebolini, Elisa; Reiher, Markus; Rivalta, Ivan; Roca-Sanjuan, Daniel; Romig, Thies; Safari, Arta Anushirwan; Sanchez-Mansilla, Aitor; Sand, Andrew M.; Schapiro, Igor; Scott, Thais R.; Segarra-Marti, Javier; Segatta, Francesco; Sergentu, Dumitru-Claudiu; Sharma, Prachi; Shepard, Ron; Shu, Yinan; Staab, Jakob K.; Straatsma, Tjerk P.; Sorensen, Lasse Kragh; Tenorio, Bruno Nunes Cabral; Truhlar, Donald G.; Ungur, Liviu; Vacher, Morgane; Veryazov, Valera; Voss, Torben Arne; Weser, Oskar; Wu, Dihua; Yang, Xuchun; Yarkony, David; Zhou, Chen; Zobel, J. Patrick; Lindh, Roland
err分享
err收藏
An efficient electrostatic embedding QM/MM method using periodic boundary conditions based on particle-mesh Ewald sums and electrostatic potential fitted charge operators
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2023-01-09
err9
errOAAI
errBonfrate, Simone; Ferre, Nicolas; Huix-Rotllant, Miquel
err分享
err收藏
Photochemistry of Thymine in Solution and DNA Revealed by an Electrostatic Embedding QM/MM Combined with Mixed-Reference Spin-Flip TDDFT
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2022-12-27
err17
errOAAI
errHuix-Rotllant, Miquel; Schwinn, Karno; Pomogaev, Vladimir; Farmani, Maryam; Ferre, Nicolas; Lee, Seunghoon; Choi, Cheol Ho
err分享
err收藏
Towards the engineering of a photon-only two-stroke rotary molecular motor (vol 13, 6433, 2022)
errNATURE COMMUNICATIONS
IF15.7
err2022-12-07
err0
errOAAI
errFilatov (Gulak), Michael; Paolino, Marco; Pierron, Robin; Cappelli, Andrea; Giorgi, Gianluca; Leonard, Jeremie; Huix-Rotllant, Miquel; Ferre, Nicolas; Yang, Xuchun; Kaliakin, Danil; Blanco-Gonzalez, Alejandro; Olivucci, Massimo
err分享
err收藏
On the fluorescence enhancement of arch neuronal optogenetic reporters
errNATURE COMMUNICATIONS
IF15.7
err2022-10-28
err13
errOAAI
errBarneschi, Leonardo; Marsili, Emanuele; Pedraza-Gonzalez, Laura; Padula, Daniele; De Vico, Luca; Kaliakin, Danil; Blanco-Gonzalez, Alejandro; Ferre, Nicolas; Huix-Rotllant, Miquel; Filatov, Michael; Olivucci, Massimo
err分享
err收藏
Towards the engineering of a photon-only two-stroke rotary molecular motor
errNATURE COMMUNICATIONS
IF15.7
err2022-10-28
err22
errOAAI
errFilatov, Michael; Paolino, Marco; Pierron, Robin; Cappelli, Andrea; Giorgi, Gianluca; Leonard, Jeremie; Huix-Rotllant, Miquel; Ferre, Nicolas; Yang, Xuchun; Kaliakin, Danil; Blanco-Gonzalez, Alejandro; Olivucci, Massimo
err分享
err收藏
Mixed-Reference Spin-Flip Time-Dependent Density Functional Theory for Accurate X-ray Absorption Spectroscopy
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2022-09-27
err16
errOAAI
errPark, Woojin; Alias-Rodriguez, Marc; Cho, Daeheum; Lee, Seunghoon; Huix-Rotllant, Miquel; Choi, Cheol Ho
err分享
err收藏
Quantum dynamics simulations of the thermal and light-induced high-spin to low-spin relaxation in Fe(bpy)3 and Fe(mtz)6
errFARADAY DISCUSSIONS
IF3.1
err2022-01-01
err5
errOAAI
errAlias-Rodriguez, Marc; Huix-Rotllant, Miquel; de Graaf, Coen
err分享
err收藏
Ultrafast Intersystem Crossing in Xanthone from Wavepacket Dynamics
errJOURNAL OF THE AMERICAN CHEMICAL SOCIETY
IF15.6
err2021-12-14
err9
errOAAI
errAlias-Rodriguez, Marc; de Graaf, Coen; Huix-Rotllant, Miquel
err分享
err收藏

研究方向

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合作期刊
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