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New physical insights into the supporting subspace factorization of XMS-CASPT2 and generalization to multiple spin states via spin-free formulation

The Journal of chemical physics, 2024-03, Vol.160 (12)

Song, Chenchen

2024

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State averaged CASSCF in AMOEBA polarizable water model for simulating nonadiabatic molecular dynamics with nonequilibrium solvation effects

The Journal of chemical physics, 2023-01, Vol.158 (1), p.014101-014101

Song, Chenchen

2023

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State-averaged CASSCF with polarizable continuum model for studying photoreactions in solvents: Energies, analytical nuclear gradients, and non-adiabatic couplings

The Journal of chemical physics, 2022-03, Vol.156 (10), p.104102-104102

Song, Chenchen

2022

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Reduced scaling extended multi-state CASPT2 (XMS-CASPT2) using supporting subspaces and tensor hyper-contraction

The Journal of chemical physics, 2020-06, Vol.152 (23), p.234113-234113

2020

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Reduced scaling CASPT2 using supporting subspaces and tensor hyper-contraction

The Journal of chemical physics, 2018-07, Vol.149 (4), p.044108-044108

2018

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Atomic orbital-based SOS-MP2 with tensor hypercontraction. II. Local tensor hypercontraction

The Journal of chemical physics, 2017-01, Vol.146 (3), p.034104-034104

2017

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An effective surface modification of carbon fiber for improving the interfacial adhesion of polypropylene composites

Materials & design, 2015-12, Vol.88, p.810-819

2015

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Reduced scaling formulation of CASPT2 analytical gradients using the supporting subspace method

The Journal of chemical physics, 2021-01, Vol.154 (1), p.014103-014103

2021

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Analytical gradients for tensor hyper-contracted MP2 and SOS-MP2 on graphical processing units

The Journal of chemical physics, 2017-10, Vol.147 (16), p.161723-161723

2017

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Mechanical and Acoustic Emission Characteristics of Grouted Reinforcement in Fissure-Containing Rock-like Specimens

Applied sciences, 2023-11, Vol.13 (21), p.11661

2023

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Morphology-maintaining synthesis of copper hydroxy phosphate@metal–organic framework composite for extraction and determination of trace mercury in rice

Food chemistry, 2021-05, Vol.343, p.128508, Article 128508

2021

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Assessing spatiotemporal variability of brain spontaneous activity by multiscale entropy and functional connectivity

NeuroImage (Orlando, Fla.), 2019-09, Vol.198, p.198-220

2019

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Complexity of cortical wave patterns of the wake mouse cortex

Nature communications, 2023-03, Vol.14 (1), p.1434-1434, Article 1434

2023

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Combining Cortical Voltage Imaging and Hippocampal Electrophysiology for Investigating Global, Multi-Timescale Activity Interactions in the Brain

International journal of molecular sciences, 2022-06, Vol.23 (12), p.6814

2022

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The serotonin 2A receptor agonist 25CN-NBOH increases murine heart rate and neck-arterial blood flow in a temperature-dependent manner

Journal of psychopharmacology (Oxford), 2020-07, Vol.34 (7), p.786-794

2020

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Cortical Correlates of Psychedelic-Induced Shaking Behavior Revealed by Voltage Imaging

International journal of molecular sciences, 2023-05, Vol.24 (11), p.9463

2023

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Cortical Entropy, Mutual Information and Scale-Free Dynamics in Waking Mice

Cerebral cortex (New York, N.Y. 1991), 2016-10, Vol.26 (10), p.3945-3952

2016

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Microstructure and Wear Property of ZrO2-Added NiCrAlY Prepared by Ultrasonic-Assisted Direct Laser Deposition

Materials, 2021-10, Vol.14 (19), p.5785

2021

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Comprehensive zoning of biomass energy heating in EU countries reference for China from European experience

Chinese journal of population resources and environment (Online), 2021-12, Vol.19 (4), p.321-329

2021

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PM2.5 exposure promotes asthma in aged Brown-Norway rats: Implication of multiomics analysis

Ecotoxicology and environmental safety, 2023-09, Vol.263, p.115393-115393, Article 115393

2023

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DNA Methylation Profiles of GAD1 in Human Cerebral Organoids of Autism Indicate Disrupted Epigenetic Regulation during Early Development

International journal of molecular sciences, 2022-08, Vol.23 (16), p.9188

2022

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The temporal characteristics of the disruption of gut microbiota, serum metabolome, and cytokines by silica exposure in wistar rats

Ecotoxicology and environmental safety, 2023-03, Vol.252, p.114580, Article 114580

2023

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State-Dependent Modulation of Slow Wave Motifs towards Awakening

Frontiers in cellular neuroscience, 2017-04, Vol.11, p.108-108

2017

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Advancing the Diagnosis of Aero-Engine Bearing Faults with Rotational Spectrum and Scale-Aware Robust Network

Aerospace, 2024-08, Vol.11 (8), p.613

2024

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Exhaust Gas Temperature Prediction of Aero-Engine via Enhanced Scale-Aware Efficient Transformer

Aerospace, 2024-02, Vol.11 (2), p.138

2024

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New physical insights into the supporting subspace factorization of XMS-CASPT2 and generalization to multiple spin states via spin-free formulation

State averaged CASSCF in AMOEBA polarizable water model for simulating nonadiabatic molecular dynamics with nonequilibrium solvation effects

State-averaged CASSCF with polarizable continuum model for studying photoreactions in solvents: Energies, analytical nuclear gradients, and non-adiabatic couplings

Reduced scaling extended multi-state CASPT2 (XMS-CASPT2) using supporting subspaces and tensor hyper-contraction

Reduced scaling CASPT2 using supporting subspaces and tensor hyper-contraction

Atomic orbital-based SOS-MP2 with tensor hypercontraction. II. Local tensor hypercontraction

An effective surface modification of carbon fiber for improving the interfacial adhesion of polypropylene composites

Reduced scaling formulation of CASPT2 analytical gradients using the supporting subspace method

Analytical gradients for tensor hyper-contracted MP2 and SOS-MP2 on graphical processing units

Mechanical and Acoustic Emission Characteristics of Grouted Reinforcement in Fissure-Containing Rock-like Specimens

Morphology-maintaining synthesis of copper hydroxy phosphate@metal–organic framework composite for extraction and determination of trace mercury in rice

Assessing spatiotemporal variability of brain spontaneous activity by multiscale entropy and functional connectivity

Complexity of cortical wave patterns of the wake mouse cortex

Combining Cortical Voltage Imaging and Hippocampal Electrophysiology for Investigating Global, Multi-Timescale Activity Interactions in the Brain

The serotonin 2A receptor agonist 25CN-NBOH increases murine heart rate and neck-arterial blood flow in a temperature-dependent manner

Cortical Correlates of Psychedelic-Induced Shaking Behavior Revealed by Voltage Imaging

Cortical Entropy, Mutual Information and Scale-Free Dynamics in Waking Mice

Microstructure and Wear Property of ZrO2-Added NiCrAlY Prepared by Ultrasonic-Assisted Direct Laser Deposition

Comprehensive zoning of biomass energy heating in EU countries reference for China from European experience

PM2.5 exposure promotes asthma in aged Brown-Norway rats: Implication of multiomics analysis

DNA Methylation Profiles of GAD1 in Human Cerebral Organoids of Autism Indicate Disrupted Epigenetic Regulation during Early Development

The temporal characteristics of the disruption of gut microbiota, serum metabolome, and cytokines by silica exposure in wistar rats

State-Dependent Modulation of Slow Wave Motifs towards Awakening

Advancing the Diagnosis of Aero-Engine Bearing Faults with Rotational Spectrum and Scale-Aware Robust Network

Exhaust Gas Temperature Prediction of Aero-Engine via Enhanced Scale-Aware Efficient Transformer

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