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Performance of Molecular Mechanics Force Fields for RNA Simulations: Stability of UUCG and GNRA Hairpins

Journal of chemical theory and computation, 2010-12, Vol.6 (12), p.3836-3849

2010

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Competition between proton transfer and intermolecular Coulombic decay in water

Nature communications, 2018-11, Vol.9 (1), p.4988-8, Article 4988

2018

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Reaction selectivity in an ionized water dimer: nonadiabatic ab initio dynamics simulations

Physical chemistry chemical physics : PCCP, 2013-07, Vol.15 (27), p.11531-11542

2013

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Medical tourism and health worker migration in developing countries

Economic modelling, 2015-04, Vol.46, p.391-396

2015

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Control of X‑ray Induced Electron and Nuclear Dynamics in Ammonia and Glycine Aqueous Solution via Hydrogen Bonding

The journal of physical chemistry. B, 2015-08, Vol.119 (33), p.10750-10759

2015

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Aqueous Solution Chemistry of Ammonium Cation in the Auger Time Window

Scientific reports, 2017-04, Vol.7 (1), p.756-756, Article 756

2017

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Two Tryptophans Are Better Than One in Accelerating Electron Flow through a Protein

ACS central science, 2019-01, Vol.5 (1), p.192-200

2019

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How growing asset inequality affects developing economies

Journal of economics and business, 2013-07, Vol.68 (7/8), p.43-51

2013

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Deciphering the Influence of Ground-State Distributions on the Calculation of Photolysis Observables

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2023-09, Vol.127 (35), p.7400-7409

2023

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Extending the Applicability of the Multiple-Spawning Framework for Nonadiabatic Molecular Dynamics

The journal of physical chemistry letters, 2022-12, Vol.13 (51), p.12011-12018

2022

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Does globalization weaken labor unions in developing countries?

The journal of international trade & economic development, 2013-06, Vol.22 (4), p.562-571

2013

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Hamiltonian-Reservoir Replica Exchange and Machine Learning Potentials for Computational Organic Chemistry

Journal of chemical theory and computation, 2020-05, Vol.16 (5), p.3084-3094

2020

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Mechanisms of fluorescence quenching in prototypical aggregation-induced emission systems: excited state dynamics with TD-DFTB

Physical chemistry chemical physics : PCCP, 2019-05, Vol.21 (18), p.9026-9035

2019

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Does Medical Tourism Promote Economic Growth? A Cross-Country Analysis

Journal of travel research, 2019-01, Vol.58 (1), p.121-135

2019

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Modeling Liquid Photoemission Spectra: Path-Integral Molecular Dynamics Combined with Tuned Range-Separated Hybrid Functionals

Journal of chemical theory and computation, 2016-10, Vol.12 (10), p.5009-5017

2016

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Myopic Mergers across Borders with Incomplete Information in GOLE

The B.E. journal of economic analysis & policy, 2019-10, Vol.19 (4)

2019

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On the importance of initial conditions for excited-state dynamics

Faraday discussions, 2018-12, Vol.212, p.307-330

2018

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Predicting the photodynamics of cyclobutanone triggered by a laser pulse at 200 nm and its MeV-UED signals—A trajectory surface hopping and XMS-CASPT2 perspective

The Journal of chemical physics, 2024-04, Vol.160 (14)

2024

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Nonadiabatic Ab Initio Molecular Dynamics with the Floating Occupation Molecular Orbital-Complete Active Space Configuration Interaction Method

Journal of chemical theory and computation, 2018-01, Vol.14 (1), p.339-350

2018

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Mechanisms of fluorescence quenching in prototypical aggregation-induced emission systems: excited state dynamics with TD-DFTBElectronic supplementary information (ESI) available: Parameters for the nonadiabatic dynamics and additional analysis of the electronic population and mechanisms. See DOI: 10.1039/c9cp00691e

2019-05

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Welfare-improving policy on medical tourism and labor productivity: A theoretical analysis

Economic systems, 2023-03, Vol.47 (1), p.101052, Article 101052

2023

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Cross‐Border Mergers and Upstreaming

World economy, 2017-03, Vol.40 (3), p.598-611

2017

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Atmospheric oxidation of new “green” solvents – Part 2: methyl pivalate and pinacolone

Atmospheric chemistry and physics, 2023-07, Vol.23 (13), p.7767-7779

2023

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On the Performance of Optimally Tuned Range-Separated Hybrid Functionals for X‑ray Absorption Modeling

Journal of chemical theory and computation, 2015-07, Vol.11 (7), p.3234-3244

2015

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Jahn-Teller effects in initial and final states: high-resolution X-ray absorption, photoelectron and Auger spectroscopy of allene

Physical chemistry chemical physics : PCCP, 2023-03, Vol.25 (9), p.6733-6745

2023

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Performance of Molecular Mechanics Force Fields for RNA Simulations: Stability of UUCG and GNRA Hairpins

Competition between proton transfer and intermolecular Coulombic decay in water

Reaction selectivity in an ionized water dimer: nonadiabatic ab initio dynamics simulations

Medical tourism and health worker migration in developing countries

Control of X‑ray Induced Electron and Nuclear Dynamics in Ammonia and Glycine Aqueous Solution via Hydrogen Bonding

Aqueous Solution Chemistry of Ammonium Cation in the Auger Time Window

Two Tryptophans Are Better Than One in Accelerating Electron Flow through a Protein

How growing asset inequality affects developing economies

Deciphering the Influence of Ground-State Distributions on the Calculation of Photolysis Observables

Extending the Applicability of the Multiple-Spawning Framework for Nonadiabatic Molecular Dynamics

Does globalization weaken labor unions in developing countries?

Hamiltonian-Reservoir Replica Exchange and Machine Learning Potentials for Computational Organic Chemistry

Mechanisms of fluorescence quenching in prototypical aggregation-induced emission systems: excited state dynamics with TD-DFTB

Does Medical Tourism Promote Economic Growth? A Cross-Country Analysis

Modeling Liquid Photoemission Spectra: Path-Integral Molecular Dynamics Combined with Tuned Range-Separated Hybrid Functionals

Myopic Mergers across Borders with Incomplete Information in GOLE

On the importance of initial conditions for excited-state dynamics

Predicting the photodynamics of cyclobutanone triggered by a laser pulse at 200 nm and its MeV-UED signals—A trajectory surface hopping and XMS-CASPT2 perspective

Nonadiabatic Ab Initio Molecular Dynamics with the Floating Occupation Molecular Orbital-Complete Active Space Configuration Interaction Method

Welfare-improving policy on medical tourism and labor productivity: A theoretical analysis

Cross‐Border Mergers and Upstreaming

Atmospheric oxidation of new “green” solvents – Part 2: methyl pivalate and pinacolone

On the Performance of Optimally Tuned Range-Separated Hybrid Functionals for X‑ray Absorption Modeling

Jahn-Teller effects in initial and final states: high-resolution X-ray absorption, photoelectron and Auger spectroscopy of allene

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