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Slippery Paraelectric Transition-Metal Dichalcogenide Bilayers

Nano letters, 2022-10, Vol.22 (19), p.7984-7991

2022

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Photoinduced Anomalous Coulomb Blockade and the Role of Triplet States in Electron Transport through an Irradiated Molecular Transistor

Nano letters, 2018-08, Vol.18 (8), p.5015-5023

2018

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Influence of Internal Molecular Motions in the Photothermal Conversion Effect of Charge-Transfer Cocrystals

Chemistry of materials, 2023-12, Vol.35 (23), p.10009-10017

2023

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Density Functional Calculations Based on the Exponential Ansatz

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2021-10, Vol.125 (39), p.8751-8763

Mosquera, Martín A

2021

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Pressure-Induced Optical Transitions in Metal Nanoclusters

ACS nano, 2020-09, Vol.14 (9), p.11888-11896

2020

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Molecular Junctions Inspired by Nature: Electrical Conduction through Noncovalent Nanobelts

The journal of physical chemistry. B, 2019-09, Vol.123 (38), p.8096-8102

2019

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SERS Study of the Mechanism of Plasmon-Driven Hot Electron Transfer between Gold Nanoparticles and PCBM

Journal of physical chemistry. C, 2019-12, Vol.123 (49), p.29908-29915

2019

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Theoretical Analysis of the Nanoscale Composition, Tip-Enhanced Raman Spectroscopy, and Electronic Properties of Alloys in 2D MoS2–WS2 Heterostructures

Journal of physical chemistry. C, 2022-06, Vol.126 (21), p.9099-9108

2022

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Support for the existence of invertible maps between electronic densities and non-analytic 1-body external potentials in non-relativistic time-dependent quantum mechanics

The Journal of chemical physics, 2017-10, Vol.147 (13), p.134110-134110

Mosquera, Martín A.

2017

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Quantum Interference and Substantial Property Tuning in Conjugated Z-ortho-Regio-Resistive Organic (ZORRO) Junctions

Nano letters, 2019-12, Vol.19 (12), p.8956-8963

2019

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Domain Separation in Density Functional Theory

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2019-06, Vol.123 (22), p.4785-4795

2019

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Theoretical quantum model of two-dimensional propagating plexcitons

The Journal of chemical physics, 2022-09, Vol.157 (12), p.124103-124103

2022

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Second response theory: a theoretical formalism for the propagation of quantum superpositions

Electronic Structure, 2023-12, Vol.5 (4), p.45001

Mosquera, Martín A

2023

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Second Linear Response Theory and the Analytic Calculation of Excited-State Properties

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2021-02, Vol.125 (4), p.1093-1102

2021

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Virial relations in density embedding

International journal of quantum chemistry, 2020-11, Vol.120 (21), p.n/a

2020

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Charge Transport and Thermoelectric Properties of Carbon Sulfide Nanobelts in Single-Molecule Sensors

Chemistry of materials, 2019-09, Vol.31 (17), p.6506-6518

2019

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Orbital Control and Coherent Charge Transport in Transition Metal Platinum(II)–Platinum(II) Lantern Complexes in Molecular Junctions

Journal of physical chemistry. C, 2020-02, Vol.124 (5), p.3233-3241

2020

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Domain Separated Density Functional Theory for Reaction Energy Barriers and Optical Excitations

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2020-07, Vol.124 (28), p.5954-5962

2020

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Time-Dependent Electronic Populations in Fragment-Based Time-Dependent Density Functional Theory

Journal of chemical theory and computation, 2015-08, Vol.11 (8), p.3530-3536

2015

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Phonon Dispersion Relation of Bulk Boron-Doped Graphitic Carbon

Journal of physical chemistry. C, 2020-10, Vol.124 (42), p.23027-23037

2020

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Cluster Amplitudes and Their Interplay with Self‐Consistency in Density Functional Methods

Chemphyschem, 2023-03, Vol.24 (5), p.e202200592-n/a

2023

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Cluster Amplitudes and Their Interplay with Self‐Consistency in Density Functional Methods

Chemphyschem, 2023-03, Vol.24 (5), p.e202300081-n/a

2023

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Derivative discontinuities in density functional theory

Molecular physics, 2014-12, Vol.112 (23), p.2997-3013

2014

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Quantum embedding for material chemistry based on domain separation and open subsystems

International journal of quantum chemistry, 2020-11, Vol.120 (21), p.n/a

2020

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Sequential double excitations from linear-response time-dependent density functional theory

The Journal of chemical physics, 2016-05, Vol.144 (20), p.204105-204105

2016

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Slippery Paraelectric Transition-Metal Dichalcogenide Bilayers

Photoinduced Anomalous Coulomb Blockade and the Role of Triplet States in Electron Transport through an Irradiated Molecular Transistor

Influence of Internal Molecular Motions in the Photothermal Conversion Effect of Charge-Transfer Cocrystals

Density Functional Calculations Based on the Exponential Ansatz

Pressure-Induced Optical Transitions in Metal Nanoclusters

Molecular Junctions Inspired by Nature: Electrical Conduction through Noncovalent Nanobelts

SERS Study of the Mechanism of Plasmon-Driven Hot Electron Transfer between Gold Nanoparticles and PCBM

Theoretical Analysis of the Nanoscale Composition, Tip-Enhanced Raman Spectroscopy, and Electronic Properties of Alloys in 2D MoS2–WS2 Heterostructures

Support for the existence of invertible maps between electronic densities and non-analytic 1-body external potentials in non-relativistic time-dependent quantum mechanics

Quantum Interference and Substantial Property Tuning in Conjugated Z-ortho-Regio-Resistive Organic (ZORRO) Junctions

Domain Separation in Density Functional Theory

Theoretical quantum model of two-dimensional propagating plexcitons

Second response theory: a theoretical formalism for the propagation of quantum superpositions

Second Linear Response Theory and the Analytic Calculation of Excited-State Properties

Virial relations in density embedding

Charge Transport and Thermoelectric Properties of Carbon Sulfide Nanobelts in Single-Molecule Sensors

Orbital Control and Coherent Charge Transport in Transition Metal Platinum(II)–Platinum(II) Lantern Complexes in Molecular Junctions

Domain Separated Density Functional Theory for Reaction Energy Barriers and Optical Excitations

Time-Dependent Electronic Populations in Fragment-Based Time-Dependent Density Functional Theory

Phonon Dispersion Relation of Bulk Boron-Doped Graphitic Carbon

Cluster Amplitudes and Their Interplay with Self‐Consistency in Density Functional Methods

Cluster Amplitudes and Their Interplay with Self‐Consistency in Density Functional Methods

Derivative discontinuities in density functional theory

Quantum embedding for material chemistry based on domain separation and open subsystems

Sequential double excitations from linear-response time-dependent density functional theory

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