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Theoretical investigation of protonated thiophene and two of its nitrile substituted derivatives (2-cyanothiophene and 3-cyanothiophene)

Physical chemistry chemical physics : PCCP, 2020-11, Vol.22 (42), p.24735-24743

2020

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Origin of the bright photoluminescence of few-atom silver clusters confined in LTA zeolites

Science (American Association for the Advancement of Science), 2018-08, Vol.361 (6403), p.686-690

2018

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Effects of single and double nickel doping on boron clusters: stabilization of tubular structures in BnNim, n = 2-22, m = 1, 2

Physical chemistry chemical physics : PCCP, 2019-04, Vol.21 (16), p.8365-8375

2019

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Lithium Hexastannate: A Potential Material for Energy Storage

physica status solidi (b), 2018-07, Vol.255 (7), p.n/a

2018

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The scandium doped boron cluster B27Sc2+: a fruit can-like structure

Physical chemistry chemical physics : PCCP, 2019, Vol.21 (17), p.8933-8939

2019

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Formation of a bi-rhodium boron tube Rh2B18 and its great CO2 capture ability

Physical chemistry chemical physics : PCCP, 2018, Vol.20 (41), p.26072-26082

2018

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Effects of Charge Transfer on the Adsorption of CO on Small Molybdenum‐Doped Platinum Clusters

Chemistry : a European journal, 2017-03, Vol.23 (17), p.4120-4127

2017

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Unified reaction pathways for the prebiotic formation of RNA and DNA nucleobases

Physical chemistry chemical physics : PCCP, 2016, Vol.18 (30), p.20177-20188

2016

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A Unified Perspective on the Hydrogen Atom Transfer and Proton-Coupled Electron Transfer Mechanisms in Terms of Topographic Features of the Ground and Excited Potential Energy Surfaces As Exemplified by the Reaction between Phenol and Radicals

Journal of the American Chemical Society, 2008-06, Vol.130 (22), p.7000-7010

2008

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Effects of bimetallic doping on small cyclic and tubular boron clusters: B7M2 and B14M2 structures with M = Fe, Co

Physical chemistry chemical physics : PCCP, 2015-07, Vol.17 (26), p.17335-17345

2015

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Valence bonds in planar and quasi-planar boron disks

Physical chemistry chemical physics : PCCP, 2019-01, Vol.21 (2), p.729-735

2019

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A theoretical approach to the role of different types of electrons in planar elongated boron clusters

Physical chemistry chemical physics : PCCP, 2019-06, Vol.21 (24), p.133-1339

2019

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Optical properties of the hydrated charged silver tetramer and silver hexamer encapsulated inside the sodalite cavity of an LTA-type zeolite

Physical chemistry chemical physics : PCCP, 2016, Vol.18 (27), p.18128-18136

2016

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Carboxyl-Functionalized Task-Specific Ionic Liquids for Solubilizing Metal Oxides

Inorganic chemistry, 2008-11, Vol.47 (21), p.9987-9999

2008

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From Formamide to Purine: A Self-Catalyzed Reaction Pathway Provides a Feasible Mechanism for the Entire Process

The journal of physical chemistry. B, 2013-08, Vol.117 (32), p.9333-9342

2013

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Competitive Molecular and Dissociative Hydrogen Chemisorption on Size Selected Doubly Rhodium Doped Aluminum Clusters

Topics in catalysis, 2018-03, Vol.61 (1-2), p.62-70

2018

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Decomposition pathways of formamide in the presence of vanadium and titanium monoxides

Physical chemistry chemical physics : PCCP, 2015-07, Vol.17 (26), p.16927-16936

2015

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Theoretical Study of the Decomposition of Formamide in the Presence of Water Molecules

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2013-03, Vol.117 (12), p.2543-2555

2013

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Acetylene as an essential building block for prebiotic formation of pyrimidine bases on Titan

Physical chemistry chemical physics : PCCP, 2015-01, Vol.17 (37), p.24294-24303

2015

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The electronic structure and stability of germanium tubes Ge30H12 and Ge33H12

Physical chemistry chemical physics : PCCP, 2018, Vol.2 (36), p.23467-23479

2018

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Boron-Boron Multiple Bond in [B(NHC)]2: Towards Stable and Aromatic [B(NHC)]n Rings

Angewandte Chemie (International ed.), 2013-04, Vol.52 (17), p.4554-4557

International ed. in English, 2013

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Existence of both blue-shifting hydrogen bond and Lewis acid-base interaction in the complexes of carbonyls and thiocarbonyls with carbon dioxide

Physical chemistry chemical physics : PCCP, 2011-08, Vol.13 (31), p.14033-14042

2011

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The Boron Conundrum: Which Principles Underlie the Formation of Large Hollow Boron Cages?

Chemphyschem, 2013-02, Vol.14 (2), p.346-363

2013

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Autocatalysis in Formose Reaction and Formation of RNA Nucleosides

The journal of physical chemistry. B, 2020-12, Vol.124 (50), p.11324-11336

2020

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Jahn―Teller instability in cationic boron and carbon buckyballs B80+ and C60+: a comparative study

Physical chemistry chemical physics : PCCP, 2013-02, Vol.15 (8), p.2829-2835

2013

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Theoretical investigation of protonated thiophene and two of its nitrile substituted derivatives (2-cyanothiophene and 3-cyanothiophene)

Origin of the bright photoluminescence of few-atom silver clusters confined in LTA zeolites

Effects of single and double nickel doping on boron clusters: stabilization of tubular structures in BnNim, n = 2-22, m = 1, 2

Lithium Hexastannate: A Potential Material for Energy Storage

The scandium doped boron cluster B27Sc2+: a fruit can-like structure

Formation of a bi-rhodium boron tube Rh2B18 and its great CO2 capture ability

Effects of Charge Transfer on the Adsorption of CO on Small Molybdenum‐Doped Platinum Clusters

Unified reaction pathways for the prebiotic formation of RNA and DNA nucleobases

A Unified Perspective on the Hydrogen Atom Transfer and Proton-Coupled Electron Transfer Mechanisms in Terms of Topographic Features of the Ground and Excited Potential Energy Surfaces As Exemplified by the Reaction between Phenol and Radicals

Effects of bimetallic doping on small cyclic and tubular boron clusters: B7M2 and B14M2 structures with M = Fe, Co

Valence bonds in planar and quasi-planar boron disks

A theoretical approach to the role of different types of electrons in planar elongated boron clusters

Optical properties of the hydrated charged silver tetramer and silver hexamer encapsulated inside the sodalite cavity of an LTA-type zeolite

Carboxyl-Functionalized Task-Specific Ionic Liquids for Solubilizing Metal Oxides

From Formamide to Purine: A Self-Catalyzed Reaction Pathway Provides a Feasible Mechanism for the Entire Process

Competitive Molecular and Dissociative Hydrogen Chemisorption on Size Selected Doubly Rhodium Doped Aluminum Clusters

Decomposition pathways of formamide in the presence of vanadium and titanium monoxides

Theoretical Study of the Decomposition of Formamide in the Presence of Water Molecules

Acetylene as an essential building block for prebiotic formation of pyrimidine bases on Titan

The electronic structure and stability of germanium tubes Ge30H12 and Ge33H12

Boron-Boron Multiple Bond in [B(NHC)]2: Towards Stable and Aromatic [B(NHC)]n Rings

Existence of both blue-shifting hydrogen bond and Lewis acid-base interaction in the complexes of carbonyls and thiocarbonyls with carbon dioxide

The Boron Conundrum: Which Principles Underlie the Formation of Large Hollow Boron Cages?

Autocatalysis in Formose Reaction and Formation of RNA Nucleosides

Jahn―Teller instability in cationic boron and carbon buckyballs B80+ and C60+: a comparative study

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