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Selective prebiotic formation of RNA pyrimidine and DNA purine nucleosides

Nature (London), 2020-06, Vol.582 (7810), p.60-66

2020

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A prebiotically plausible synthesis of pyrimidine β-ribonucleosides and their phosphate derivatives involving photoanomerization

Nature chemistry, 2017-04, Vol.9 (4), p.303-309

2017

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Light-Induced Modulation of Chiral Functions in G‑Quadruplex–Photochrome Systems

The journal of physical chemistry letters, 2021-10, Vol.12 (39), p.9436-9441

2021

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Water-chromophore electron transfer determines the photochemistry of cytosine and cytidine

Physical chemistry chemical physics : PCCP, 2017-07, Vol.19 (27), p.17531-17537

2017

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Partitioning of interaction-induced nonlinear optical properties of molecular complexes. II. Halogen-bonded systems

Physical chemistry chemical physics : PCCP, 2020-02, Vol.22 (7), p.4225-4234

2020

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Distributed Multipolar Expansion Approach to Calculation of Excitation Energy Transfer Couplings

Journal of chemical theory and computation, 2015-07, Vol.11 (7), p.3259-3266

2015

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Prebiotic synthesis of nucleic acids and their building blocks at the atomic level - merging models and mechanisms from advanced computations and experiments

Physical chemistry chemical physics : PCCP, 2016-07, Vol.18 (3), p.247-266

2016

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Mechanochemical Assisted Chemoselective and Stereoselective Hydrogen‐Bonding Catalyzed Addition of Dithiomalonates to Enones

Advanced synthesis & catalysis, 2023-10, Vol.365 (19), p.3342-3352

2023

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Electron-Driven Proton Transfer Along H2O Wires Enables Photorelaxation of πσ States in Chromophore–Water Clusters

The journal of physical chemistry letters, 2015-04, Vol.6 (8), p.1467-1471

2015

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Photoinduced water-chromophore electron transfer causes formation of guanosine photodamage

Physical chemistry chemical physics : PCCP, 2022-04, Vol.24 (14), p.8217-8224

2022

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Ribose Alters the Photochemical Properties of the Nucleobase in Thionated Nucleosides

The journal of physical chemistry letters, 2021-07, Vol.12 (28), p.6707-6713

2021

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Ab initio effective one‐electron potential operators: Applications for charge‐transfer energy in effective fragment potentials

Journal of computational chemistry, 2021-03, Vol.42 (6), p.398-411

2021

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On the Origins of Large Interaction-Induced First Hyperpolarizabilities in Hydrogen-Bonded π‑Electronic Complexes

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2013-08, Vol.117 (31), p.6859-6866

2013

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Editorial: Fragment-based electronic structure methods for solids

Frontiers in chemistry, 2023-02, Vol.11, p.1165201-1165201

2023

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Applications of Thermal Activation, Ball‐milling and Aqueous Medium in Stereoselective Michael Addition of Nitromethane to Enynones Catalyzed by Chiral Squaramides

Advanced synthesis & catalysis, 2019-03, Vol.361 (5), p.1108-1116

2019

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Photostability of oxazoline RNA-precursors in UV-rich prebiotic environments

Chemical communications (Cambridge, England), 2018-11, Vol.54 (95), p.13407-13410

2018

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Induced Optical Activity of DNA-Templated Cyanine Dye Aggregates: Exciton Coupling Theory and TD-DFT Studies

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2013-07, Vol.117 (29), p.5909-5918

2013

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On the physical origins of interaction-induced vibrational (hyper)polarizabilities

Physical chemistry chemical physics : PCCP, 2016-08, Vol.18 (32), p.22467-22477

2016

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Partitioning of interaction-induced nonlinear optical properties of molecular complexes. I. Hydrogen-bonded systems

Physical chemistry chemical physics : PCCP, 2018, Vol.20 (30), p.19841-19849

2018

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Resonant and Nonresonant Hyperpolarizabilities of Spatially Confined Molecules: A Case Study of Cyanoacetylene

Journal of chemical theory and computation, 2013-08, Vol.9 (8), p.3463-3472

2013

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On the Calculations of Interaction Energies and Induced Electric Properties within the Polarizable Continuum Model

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2012-05, Vol.116 (17), p.4409-4416

2012

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Electron-driven proton transfer enables nonradiative photodeactivation in microhydrated 2-aminoimidazole

Faraday discussions, 2018-12, Vol.212, p.345-358

2018

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Solvent effects on the photochemistry of 4-aminoimidazole-5-carbonitrile, a prebiotically plausible precursor of purines

Physical chemistry chemical physics : PCCP, 2014-09, Vol.16 (33), p.17617-17626

2014

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Electric dipole (hyper)polarizabilities of spatially confined LiH molecule

The Journal of chemical physics, 2012-09, Vol.137 (9), p.094307-094307

2012

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Stereoselectivity Enhancement During the Generation of Three Contiguous Stereocenters in Tetrahydrothiophenes

ChemCatChem, 2021-01, Vol.13 (2), p.574-580

2021

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Selective prebiotic formation of RNA pyrimidine and DNA purine nucleosides

A prebiotically plausible synthesis of pyrimidine β-ribonucleosides and their phosphate derivatives involving photoanomerization

Light-Induced Modulation of Chiral Functions in G‑Quadruplex–Photochrome Systems

Water-chromophore electron transfer determines the photochemistry of cytosine and cytidine

Partitioning of interaction-induced nonlinear optical properties of molecular complexes. II. Halogen-bonded systems

Distributed Multipolar Expansion Approach to Calculation of Excitation Energy Transfer Couplings

Prebiotic synthesis of nucleic acids and their building blocks at the atomic level - merging models and mechanisms from advanced computations and experiments

Mechanochemical Assisted Chemoselective and Stereoselective Hydrogen‐Bonding Catalyzed Addition of Dithiomalonates to Enones

Electron-Driven Proton Transfer Along H2O Wires Enables Photorelaxation of πσ States in Chromophore–Water Clusters

Photoinduced water-chromophore electron transfer causes formation of guanosine photodamage

Ribose Alters the Photochemical Properties of the Nucleobase in Thionated Nucleosides

Ab initio effective one‐electron potential operators: Applications for charge‐transfer energy in effective fragment potentials

On the Origins of Large Interaction-Induced First Hyperpolarizabilities in Hydrogen-Bonded π‑Electronic Complexes

Editorial: Fragment-based electronic structure methods for solids

Applications of Thermal Activation, Ball‐milling and Aqueous Medium in Stereoselective Michael Addition of Nitromethane to Enynones Catalyzed by Chiral Squaramides

Photostability of oxazoline RNA-precursors in UV-rich prebiotic environments

Induced Optical Activity of DNA-Templated Cyanine Dye Aggregates: Exciton Coupling Theory and TD-DFT Studies

On the physical origins of interaction-induced vibrational (hyper)polarizabilities

Partitioning of interaction-induced nonlinear optical properties of molecular complexes. I. Hydrogen-bonded systems

Resonant and Nonresonant Hyperpolarizabilities of Spatially Confined Molecules: A Case Study of Cyanoacetylene

On the Calculations of Interaction Energies and Induced Electric Properties within the Polarizable Continuum Model

Electron-driven proton transfer enables nonradiative photodeactivation in microhydrated 2-aminoimidazole

Solvent effects on the photochemistry of 4-aminoimidazole-5-carbonitrile, a prebiotically plausible precursor of purines

Electric dipole (hyper)polarizabilities of spatially confined LiH molecule

Stereoselectivity Enhancement During the Generation of Three Contiguous Stereocenters in Tetrahydrothiophenes

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