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Lithium-Doped Metal-Organic Frameworks for Reversible H2 Storage at Ambient Temperature

Journal of the American Chemical Society, 2007-07, Vol.129 (27), p.8422-8423

2007

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ReaxFF-lg: Correction of the ReaxFF Reactive Force Field for London Dispersion, with Applications to the Equations of State for Energetic Materials

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2011-10, Vol.115 (40), p.11016-11022

2011

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The mechanism for ligand activation of the GPCR-G protein complex

Proceedings of the National Academy of Sciences - PNAS, 2022-05, Vol.119 (18), p.e2110085119-e2110085119

2022

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Selective Extraction of C70 by a Tetragonal Prismatic Porphyrin Cage

Journal of the American Chemical Society, 2018-10, Vol.140 (42), p.13835-13842

2018

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Reaction Mechanisms, Kinetics, and Improved Catalysts for Ammonia Synthesis from Hierarchical High Throughput Catalyst Design

Accounts of chemical research, 2022-04, Vol.55 (8), p.1124-1134

2022

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G protein coupling and activation of the metabotropic GABAB heterodimer

Nature communications, 2022-08, Vol.13 (1), p.4612-4612, Article 4612

2022

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Relevance of cis- and trans-dichloride Ru intermediates in Grubbs-II olefin metathesis catalysis (H2IMesCl2Ru=CHR)

Chemical communications (Cambridge, England), 2008 (46), p.6194-6196

2008

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The atomistic level structure for the activated human κ-opioid receptor bound to the full Gi protein and the MP1104 agonist

Proceedings of the National Academy of Sciences - PNAS, 2020-03, Vol.117 (11), p.5836-5843

2020

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Handbook of Nanoscience, Engineering, and Technology

3rd ed., 2012

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Anomalies in Supercooled Water at ∼230 K Arise from a 1D Polymer to 2D Network Topological Transformation

The journal of physical chemistry letters, 2019-10, Vol.10 (20), p.6267-6273

2019

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3D Structure Prediction of TAS2R38 Bitter Receptors Bound to Agonists Phenylthiocarbamide (PTC) and 6-n-Propylthiouracil (PROP)

Journal of chemical information and modeling, 2012-07, Vol.52 (7), p.1875-1885

2012

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Determining the hydronium pKα at platinum surfaces and the effect on pH-dependent hydrogen evolution reaction kinetics

Proceedings of the National Academy of Sciences - PNAS, 2022-09, Vol.119 (39), p.1

2022

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Selectivity for HCO2 – over H2 in the Electrochemical Catalytic Reduction of CO2 by (POCOP)IrH2

ACS catalysis, 2016-10, Vol.6 (10), p.6362-6371

2016

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Reaction Pathways of GaN (0001) Growth from Trimethylgallium and Ammonia versus Triethylgallium and Hydrazine Using First Principle Calculations

Journal of physical chemistry. C, 2015-02, Vol.119 (8), p.4095-4103

2015

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Metalloproteins: Theory, Calculations, and Experiments

1, 2015

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REPLY TO HEAD-GORDON AND PAESANI: Liquid water, a branched polymer with ∼100-fs short-lived heterogeneous hydrogen bonds

Proceedings of the National Academy of Sciences - PNAS, 2019-10, Vol.116 (41), p.20257-20258

2019

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Novel interaction between neurotrophic factor-α1/carboxypeptidase E and serotonin receptor, 5-HTR1E, protects human neurons against oxidative/neuroexcitotoxic stress via β-arrestin/ERK signaling

Cellular and molecular life sciences : CMLS, 2022, Vol.79 (1), p.24, Article 24

2022

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The ÓMICAS alliance, an international research program on multi-omics for crop breeding optimization

Frontiers in plant science, 2022-10, Vol.13, p.992663-992663

2022

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Correction to: Novel interaction between neurotrophic factor-α1/carboxypeptidase E and serotonin receptor, 5-HTR1E, protects human neurons against oxidative/neuroexcitotoxic stress via β-arrestin/ERK signaling

Cellular and molecular life sciences : CMLS, 2023-03, Vol.80 (3), p.65-65, Article 65

2023

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Correction to “Reaction Mechanism, Origins of Enantioselectivity, and Reactivity Trends in Asymmetric Allylic Alkylation: A Comprehensive Quantum Mechanics Investigation of a C(sp3)–C(sp3) Cross-Coupling”

Journal of the American Chemical Society, 2020-12, Vol.142 (50), p.21233-21233

2020

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Sulfur-doped graphene anchoring of ultrafine Au25 nanoclusters for electrocatalysis

Nano research, 2021-10, Vol.14 (10), p.3509-3513

2021

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Deciphering the Atomistic Mechanism of Si(111)‑7 × 7 Surface Reconstruction Using a Machine-Learning Force Field

Journal of the American Chemical Society, 2023-09, Vol.145 (37), p.20511-20520

2023

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Corrigendum: The ÓMICAS alliance, an international research program on multi-omics for crop breeding optimization

Frontiers in plant science, 2022-12, Vol.13, p.1104501-1104501

2022

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Zeolitic Imidazolate Frameworks as H2 Adsorbents: Ab Initio Based Grand Canonical Monte Carlo Simulation

Journal of physical chemistry. C, 2010-07, Vol.114 (27), p.12039-12047

2010

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Mechanism and kinetics for both thermal and electrochemical reduction of N2 catalysed by Ru(0001) based on quantum mechanics

Physical chemistry chemical physics : PCCP, 2019, Vol.21 (32), p.17605-17612

2019

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Lithium-Doped Metal-Organic Frameworks for Reversible H2 Storage at Ambient Temperature

ReaxFF-lg: Correction of the ReaxFF Reactive Force Field for London Dispersion, with Applications to the Equations of State for Energetic Materials

The mechanism for ligand activation of the GPCR-G protein complex

Selective Extraction of C70 by a Tetragonal Prismatic Porphyrin Cage

Reaction Mechanisms, Kinetics, and Improved Catalysts for Ammonia Synthesis from Hierarchical High Throughput Catalyst Design

G protein coupling and activation of the metabotropic GABAB heterodimer

Relevance of cis- and trans-dichloride Ru intermediates in Grubbs-II olefin metathesis catalysis (H2IMesCl2Ru=CHR)

The atomistic level structure for the activated human κ-opioid receptor bound to the full Gi protein and the MP1104 agonist

Handbook of Nanoscience, Engineering, and Technology

Anomalies in Supercooled Water at ∼230 K Arise from a 1D Polymer to 2D Network Topological Transformation

3D Structure Prediction of TAS2R38 Bitter Receptors Bound to Agonists Phenylthiocarbamide (PTC) and 6-n-Propylthiouracil (PROP)

Determining the hydronium pKα at platinum surfaces and the effect on pH-dependent hydrogen evolution reaction kinetics

Selectivity for HCO2 – over H2 in the Electrochemical Catalytic Reduction of CO2 by (POCOP)IrH2

Reaction Pathways of GaN (0001) Growth from Trimethylgallium and Ammonia versus Triethylgallium and Hydrazine Using First Principle Calculations

Metalloproteins: Theory, Calculations, and Experiments

REPLY TO HEAD-GORDON AND PAESANI: Liquid water, a branched polymer with ∼100-fs short-lived heterogeneous hydrogen bonds

Novel interaction between neurotrophic factor-α1/carboxypeptidase E and serotonin receptor, 5-HTR1E, protects human neurons against oxidative/neuroexcitotoxic stress via β-arrestin/ERK signaling

The ÓMICAS alliance, an international research program on multi-omics for crop breeding optimization

Correction to: Novel interaction between neurotrophic factor-α1/carboxypeptidase E and serotonin receptor, 5-HTR1E, protects human neurons against oxidative/neuroexcitotoxic stress via β-arrestin/ERK signaling

Correction to “Reaction Mechanism, Origins of Enantioselectivity, and Reactivity Trends in Asymmetric Allylic Alkylation: A Comprehensive Quantum Mechanics Investigation of a C(sp3)–C(sp3) Cross-Coupling”

Sulfur-doped graphene anchoring of ultrafine Au25 nanoclusters for electrocatalysis

Deciphering the Atomistic Mechanism of Si(111)‑7 × 7 Surface Reconstruction Using a Machine-Learning Force Field

Corrigendum: The ÓMICAS alliance, an international research program on multi-omics for crop breeding optimization

Zeolitic Imidazolate Frameworks as H2 Adsorbents: Ab Initio Based Grand Canonical Monte Carlo Simulation

Mechanism and kinetics for both thermal and electrochemical reduction of N2 catalysed by Ru(0001) based on quantum mechanics

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