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Hydrogen bond cooperativity and anticooperativity within the water hexamer

Physical chemistry chemical physics : PCCP, 2016-07, Vol.18 (29), p.19557-19566

2016

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Halogen Bonds in Clathrate Cages: A Real Space Perspective

Chemphyschem, 2018-10, Vol.19 (19), p.2512-2517

2018

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On the strength of hydrogen bonding within water clusters on the coordination limit

Journal of computational chemistry, 2020-10, Vol.41 (26), p.2266-2277

2020

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Exotic Bonding Regimes Uncovered in Excited States

Chemistry : a European journal, 2019-09, Vol.25 (52), p.12169-12179

2019

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Efficient implementation of the interacting quantum atoms energy partition of the second‐order Møller–Plesset energy

Journal of computational chemistry, 2020-05, Vol.41 (13), p.1234-1241

2020

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Binding Energy Partition of Promising IRAK‐4 Inhibitor (Zimlovisertib) for the Treatment of COVID‐19 Pneumonia

Chemphyschem, 2022-12, Vol.23 (24), p.e202200455-n/a

2022

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Cooperativity and Anticooperativity in Ion‐Water Interactions: Implications for the Aqueous Solvation of Ions

Chemphyschem, 2021-06, Vol.22 (12), p.1269-1285

2021

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Photochemistry in Real Space: Batho‐ and Hypsochromism in the Water Dimer

Chemistry : a European journal, 2020-12, Vol.26 (71), p.17035-17045

2020

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Hydrogen-Bond Cooperative Effects in Small Cyclic Water Clusters as Revealed by the Interacting Quantum Atoms Approach

Chemistry : a European journal, 2013-10, Vol.19 (42), p.14304-14315

2013

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Where Does Electron Correlation Lie? Some Answers from a Real Space Partition

Chemphyschem, 2017-12, Vol.18 (24), p.3553-3561

2017

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Structural Diversity and Argentophilic Interactions in Small Phosphine Silver(I) Thiolate Clusters

European journal of inorganic chemistry, 2021-07, Vol.2021 (27), p.2702-2711

2021

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Photochemistry in Real Space: Batho‐ and Hypsochromism in the Water Dimer

Chemistry : a European journal, 2020-12, Vol.26 (71), p.16951-16951

2020

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Interacting Quantum Atoms-A Review

Molecules (Basel, Switzerland), 2020-09, Vol.25 (17), p.4028

2020

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Stability and trans Influence in Fluorinated Gold(I) Coordination Compounds

European journal of inorganic chemistry, 2018-11, Vol.2018 (40), p.4413-4420

2018

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Dynamic Molecular Graphs: "Hopping" Structures

Chemistry : a European journal, 2014-05, Vol.20 (19), p.5665-5672

2014

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The nature of resonance-assisted hydrogen bonds: a quantum chemical topology perspective

Physical chemistry chemical physics : PCCP, 2016-10, Vol.18 (38), p.26383-26390

2016

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Binding Energy Partition of Promising IRAK‐4 Inhibitor (Zimlovisertib) for the Treatment of COVID‐19 Pneumonia

Chemphyschem, 2022-12, Vol.23 (24), p.e202200855-n/a

2022

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Synthesis of Functionalized Tetrasubstituted Allenes by the Addition of Bis(trimethylsilyl)ketene Acetals to Ynones Catalyzed by Gold(I)

Journal of organic chemistry, 2024-03, Vol.89 (5), p.3092-3101

2024

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On the Relationship between Hydrogen Bond Strength and the Formation Energy in Resonance-Assisted Hydrogen Bonds

Molecules (Basel, Switzerland), 2021-07, Vol.26 (14), p.4196

2021

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Cooperative and anticooperative effects in resonance assisted hydrogen bonds in merged structures of malondialdehyde

Physical chemistry chemical physics : PCCP, 2016-12, Vol.19 (1), p.97-107

2016

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A QCT View of the Interplay between Hydrogen Bonds and Aromaticity in Small CHON Derivatives

Molecules (Basel, Switzerland), 2022-09, Vol.27 (18), p.6039

2022

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Partition of electronic excitation energies: the IQA/EOM-CCSD method

Physical chemistry chemical physics : PCCP, 2019-06, Vol.21 (25), p.13428-13439

2019

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Chemical bonding in excited states: Energy transfer and charge redistribution from a real space perspective

Journal of computational chemistry, 2017-05, Vol.38 (13), p.957-970

2017

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Valence Shell Charge Concentration (VSCC) Evolution: A Tool to Investigate the Transformations within a VSCC Throughout a Chemical Reaction

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2011-11, Vol.115 (45), p.12924-12932

2011

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Hydrogen‐Bond Weakening through π Systems: Resonance‐Impaired Hydrogen Bonds (RIHB)

Chemistry : a European journal, 2017-11, Vol.23 (65), p.16605-16611

2017

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Hydrogen bond cooperativity and anticooperativity within the water hexamer

Halogen Bonds in Clathrate Cages: A Real Space Perspective

On the strength of hydrogen bonding within water clusters on the coordination limit

Exotic Bonding Regimes Uncovered in Excited States

Efficient implementation of the interacting quantum atoms energy partition of the second‐order Møller–Plesset energy

Binding Energy Partition of Promising IRAK‐4 Inhibitor (Zimlovisertib) for the Treatment of COVID‐19 Pneumonia

Cooperativity and Anticooperativity in Ion‐Water Interactions: Implications for the Aqueous Solvation of Ions

Photochemistry in Real Space: Batho‐ and Hypsochromism in the Water Dimer

Hydrogen-Bond Cooperative Effects in Small Cyclic Water Clusters as Revealed by the Interacting Quantum Atoms Approach

Where Does Electron Correlation Lie? Some Answers from a Real Space Partition

Structural Diversity and Argentophilic Interactions in Small Phosphine Silver(I) Thiolate Clusters

Photochemistry in Real Space: Batho‐ and Hypsochromism in the Water Dimer

Interacting Quantum Atoms-A Review

Stability and trans Influence in Fluorinated Gold(I) Coordination Compounds

Dynamic Molecular Graphs: "Hopping" Structures

The nature of resonance-assisted hydrogen bonds: a quantum chemical topology perspective

Binding Energy Partition of Promising IRAK‐4 Inhibitor (Zimlovisertib) for the Treatment of COVID‐19 Pneumonia

Synthesis of Functionalized Tetrasubstituted Allenes by the Addition of Bis(trimethylsilyl)ketene Acetals to Ynones Catalyzed by Gold(I)

On the Relationship between Hydrogen Bond Strength and the Formation Energy in Resonance-Assisted Hydrogen Bonds

Cooperative and anticooperative effects in resonance assisted hydrogen bonds in merged structures of malondialdehyde

A QCT View of the Interplay between Hydrogen Bonds and Aromaticity in Small CHON Derivatives

Partition of electronic excitation energies: the IQA/EOM-CCSD method

Chemical bonding in excited states: Energy transfer and charge redistribution from a real space perspective

Valence Shell Charge Concentration (VSCC) Evolution: A Tool to Investigate the Transformations within a VSCC Throughout a Chemical Reaction

Hydrogen‐Bond Weakening through π Systems: Resonance‐Impaired Hydrogen Bonds (RIHB)

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