Lista de obras - Wojciech Grochala - Dominio Público Uruguay

A low temperature pyrolytic route to amorphous quasi-hexagonal boron nitride from hydrogen rich (NH4)3Mg(BH4)5

artículo científico publicado en 2020

A metastable He-O bond inside a ferroelectric molecular cavity: (HeO)(LiF)2.

artículo científico publicado en 2012

A multifaceted approach to hydrogen storage

artículo científico publicado en 2011

Ag(II)SO4: a genuine sulfate of divalent silver with anomalously strong one-dimensional antiferromagnetic interactions

artículo científico publicado en 2010

Ag2S2O8 meets AgSO4: the second example of metal-ligand redox isomerism among inorganic systems.

artículo científico publicado en 2016

Ag3(SO3F)4: A Rare Example of a Mixed-Valent AgII/AgI Compound Showing 1D Antiferromagnetism

article published in 2011

AgIISO4: A Genuine Sulfate of Divalent Silver with Anomalously Strong One-Dimensional Antiferromagnetic Interactions

AgPO2F2 and Ag9(PO2F2)14: the first Ag(i) and Ag(i)/Ag(ii) difluorophosphates with complex crystal structures.

artículo científico publicado en 2015

AgS2O6CF3: the first trifluoromethylsulfonylsulfate(vi)

artículo científico publicado en 2013

Amidoboranes of rubidium and caesium: the last missing members of the alkali metal amidoborane family.

artículo científico publicado en 2017

Atomic/Ionic Radius as Mathematical Limit of System Energy Evolution

scientific article published on 11 January 2019

Atypical compounds of gases, which have been called 'noble'.

artículo científico publicado en 2007

AuO: Evolving from Dis- to Comproportionation and Back Again

scientific article published on 21 January 2016

Beyond Oxides: Nitride as a Ligand in a Neutral IrIX NO3 Molecule Bearing a Transition Metal at High Oxidation State

artículo científico publicado en 2019

Borohydride as Magnetic Superexchange Pathway in Late Lanthanide Borohydrides

Canted Antiferromagnetism in Two-Dimensional Silver(II) Bis[pentafluoridooxidotungstate(VI)].

artículo científico publicado en 2016

Charge ordering mechanism in silver difluoride

artículo científico publicado en 2022

ChemInform Abstract: Ag3(SO3F)4: A Rare Example of a Mixed-Valent AgII/AgI Compound Showing 1D Antiferromagnetism

ChemInform Abstract: AgIISO4: A Genuine Sulfate of Divalent Silver with Anomalously Strong One-Dimensional Antiferromagnetic Interactions

ChemInform Abstract: Silver(II) Fluorosulfate: A Thermally Fragile Ferromagnetic Derivative of Divalent Silver in an Oxa-Ligand Environment

ChemInform Abstract: The Theoretical Quest for Sulfate of Ag2+: Genuine Ag(II)SO4, Diamagnetic Ag(I)2S2O8, or Rather Mixed-Valence Ag(I)[Ag(III)(SO4)2]?

Chemistry of silver(II): a cornucopia of peculiarities†.

artículo científico publicado en 2015

Chemo-switched chromatic, magnetic and structural changes with retention of molecular crystallinity, Ni(12aneS4)(BF4)2.

artículo científico publicado en 2012

Comment on “Pressure-induced structural and valence transition in AgO” by C. Hou, J. Botana, X. Zhang, X. Wang and M. Miao, Phys. Chem. Chem. Phys., 2016, 18, 15322

scientific article published on 01 November 2016

Complete Series of Alkali-Metal M(BH3NH2BH2NH2BH3) Hydrogen-Storage Salts Accessed via Metathesis in Organic Solvents

artículo científico publicado en 2015

Correction: The generalized maximum hardness principle revisited and applied to atoms and molecules

artículo científico publicado en 2017

Cover Picture: AgIISO4: A Genuine Sulfate of Divalent Silver with Anomalously Strong One-Dimensional Antiferromagnetic Interactions (Angew. Chem. Int. Ed. 9/2010)

Cover Picture: Towards a metallic quasi-d9system without copper: AgO at high pressure (Phys. Status Solidi RRL 7/2015)

Crystal and electronic structure, lattice dynamics and thermal properties of Ag(I)(SO3)R (R = F, CF3) Lewis acids in the solid state

artículo científico publicado en 2011

Crystal and electronic structures and high-pressure behavior of AgSO4, a unique narrow band gap antiferromagnetic semiconductor: LDA(+U) picture

artículo científico publicado en 2011

Crystal, electronic, and magnetic structures of M2AgF4 (M = Na-Cs) phases as viewed from the DFT+U method

artículo científico publicado en 2016

Diamond: electronic ground state of carbon at temperatures approaching 0 K.

artículo científico publicado en 2014

Dramatic enhancement of spin–spin coupling and quenching of magnetic dimensionality in compressed silver difluoride

artículo científico publicado en 2018

Efficient Electrosynthesis of AgIISO4: A Powerful Oxidizer and Narrow Band Gap Semiconductor

Elusive AuF in the solid state as accessed via high pressure comproportionation

scientific article published on 03 January 2008

Facile formation of thermodynamically unstable novel borohydride materials by a wet chemistry route

artículo científico publicado en 2015

Ferromagnetic ground state for a hypothetical iron-based extended metal atom chain

artículo científico publicado en 2016

First there was hydrogen

scientific article published on 01 March 2015

Freezing in resonance structures for better packing: XeF2 becomes (XeF+)(F-) at large compression

artículo científico publicado en 2011

Generation of the ArCF22+ Dication

article

Gigantic work function in layered AgF2

scientific article published on 23 September 2020

Hexaaquanickel(II) disulfato(1,4,8,11-tetraazacyclotetradecane)nickelate(II) dihydrate ⬇️

artículo científico publicado el 24 de agosto de 2010

High-Pressure Behavior of Silver Fluorides up to 40 GPa.

artículo científico publicado en 2017

High-temperature superconductivity as viewed from the maximum hardness principle

scholarly article by Wojciech Grochala & Mariana Derzsi published 14 August 2018 in Journal of Molecular Modeling

Hydrogen storage materials: room-temperature wet-chemistry approach toward mixed-metal borohydrides

artículo científico publicado en 2014

Insights from impedance spectroscopy into the mechanism of thermal decomposition of M(NH2BH3), M = H, Li, Na, Li(0.5)Na(0.5), hydrogen stores

artículo científico publicado en 2012

KAgF3, K2AgF4 and K3Ag2F7: important steps towards a layered antiferromagnetic fluoroargentate(II),

artículo científico publicado en 2009

Ligation of Aza bases to the AgF2 molecule: a theoretical study

artículo científico publicado en 2008

Local and Cooperative Jahn-Teller Effect and Resultant Magnetic Properties of M2AgF4 (M = Na-Cs) Phases.

artículo científico publicado en 2016

MYb(BH4)4 (M = K, Na) from laboratory X-ray powder data.

artículo científico publicado en 2013

M[Y(BH4)4] and M2Li[Y(BH4)(6-x)Clx] (M = Rb, Cs): new borohydride derivatives of yttrium and their hydrogen storage properties

artículo científico publicado en 2013

Magnetism: small changes, big consequences

artículo científico publicado en 2006

Mono- and Bimetalic Amidoboranes

artículo científico publicado en 2016

Most probable distance between the nucleus and HOMO electron: the latent meaning of atomic radius from the product of chemical hardness and polarizability

artículo científico publicado en 2014

Na2AgF4: 1D antiferromagnet with unusually short Ag2+···Ag2+ separation.

artículo científico publicado en 2013

Na[Li(NH2BH3)2] – the first mixed-cation amidoborane with unusual crystal structure

article

Noble gas monoxides stabilized in a dipolar cavity: a theoretical study

artículo científico publicado en 2014

Nonstationary Two-Dimensional Nuclear Magnetic Resonance: A Method for Studying Reaction Mechanisms in Situ

scientific article published on 21 August 2019

On possible existence of pseudobinary mixed valence fluorides of Ag(I) / Ag(II): a DFT study ⬇️

artículo científico publicado el 22 de enero de 2011

On the Covalency of Silver–Fluorine Bonds in Compounds of Silver(I), Silver(II) and Silver(III) ⬇️

artículo científico publicado el 15 de septiembre de 2003

On the position of helium and neon in the Periodic Table of Elements

scholarly article by Wojciech Grochala published 1 November 2017 in Foundations of Chemistry

Orbital landscapes for reductive 2e- activation of dihydrogen molecule

artículo científico publicado en 2007

Persistence of Mixed and Non-intermediate Valence in the High-Pressure Structure of Silver(I,III) Oxide, AgO: A Combined Raman, X-ray Diffraction (XRD), and Density Functional Theory (DFT) Study.

artículo científico publicado en 2017

Phase transition induced improvement in H2 desorption kinetics: the case of the high-temperature form of Y(BH4)3.

artículo científico publicado en 2011

Phonon spectra and phonon-dependent properties of AgSO4, an unusual sulfate of divalent silver

Predicting crystal structures and properties of matter under extreme conditions via quantum mechanics: the pressure is on

scholarly article by Eva Zurek & Wojciech Grochala published 2015 in Physical Chemistry Chemical Physics

Prediction of Extremely Strong Antiferromagnetic Superexchange in Silver(II) Fluorides: Challenging the Oxocuprates(II).

artículo científico publicado en 2017

Preparative Electrosynthesis of Strong Oxidizers at Boron-Doped Diamond Electrode in Anhydrous HF

artículo científico publicado en 2019

Probing Lewis acidity of Y(BH4)3via its reactions with MBH4 (M = Li, Na, K, NMe4) ⬇️

artículo científico publicado el 3 de noviembre de 2011

PtX as the limit of high oxidation states in oxide-nitride species

scientific article published on 02 October 2020

Real and Hypothetical Intermediate-Valence Ag(II)/Ag(III) and Ag(II)/Ag(I) Fluoride Systems as Potential Superconductors

artículo científico publicado en 2001

Redetermination of crystal structure of Ag(ii)SO4and its high-pressure behavior up to 30 GPa

article published in 2013

Remarks on catalytic reduction of CO2, H+ and H2 by monovalent Ni.

artículo científico publicado en 2006

Silver route to cuprate analogs

article published in the Proceedings of the National Academy of Sciences of the United States of America

Silver(II) Fluorosulfate: A Thermally Fragile Ferromagnetic Derivative of Divalent Silver in an Oxa-Ligand Environment

Silver(ii) triflate with one-dimensional [Ag(ii)(SO3CF3)4/2]∞ chains hosting antiferromagnetism

Silverland: the Realm of Compounds of Divalent Silver—and Why They are Interesting

Stability of hypothetical AgIICl2 polymorphs under high pressure, revisited: a computational study

artículo científico publicado en 2022

Stabilization and strong oxidizing properties of Ag(II) in a fluorine-free solvent

artículo científico publicado en 2013

Strong cationic oxidizers: thermal decomposition, electronic structure and magnetism of their compounds

artículo científico

Structural polymorphism of pyrazinium hydrogen sulfate: extending chemistry of the pyrazinium salts with small anions

artículo científico publicado en 2010

Structural transition and unusually strong antiferromagnetic superexchange coupling in perovskite KAgF3.

artículo científico publicado en 2013

Structures and potential superconductivity in at high pressure: en route to "metallic hydrogen"

scientific article published on 11 January 2006

Structures of Late Transition Metal Monoxides from Jahn-Teller Instabilities in the Rock Salt Lattice

artículo científico publicado en 2014

Superconductivity in transition metals.

artículo científico publicado en 2015

Superconductivity: small steps towards the "grand unification"

artículo científico publicado en 2005

Tetramethylammonium borohydride from powder data ⬇️

artículo científico publicado el 30 de julio de 2011

The 'magic' electronic state of high-T(c) cuprate superconductors

scientific article published on 21 July 2008

The Chemical Imagination at Work inVery Tight Places

scholarly article by Wojciech Grochala et al published 11 May 2007 in Angewandte Chemie International Edition

The Close Relationships between the Crystal Structures of MO and MSO4(M = Group 10, 11, or 12 Metal), and the Predicted Structures of AuO and PtSO4

article published in 2013

The first example of a mixed valence ternary compound of silver with random distribution of Ag(I) and Ag(II) cations

artículo científico publicado en 2015

The generalized maximum hardness principle revisited and applied to atoms and molecules.

artículo científico publicado en 2017

The generalized maximum hardness principle revisited and applied to solids (Part 2).

artículo científico publicado en 2017

The high covalence of metal-ligand bonds as stability limiting factor: the case of Rh(IX)O4+ and Rh(IX)NO3

artículo científico publicado en 2020

The missing crystal structures of fluorosulfates of monovalent cations: M(I)SO3F, M=Na, Rb and Tl

The theoretical quest for sulfate of Ag(2+): genuine Ag(II)SO4, diamagnetic Ag(I)2S2O8, or rather mixed-valence Ag(I)[Ag(III)(SO4)2]?

artículo científico publicado en 2010

Theoretical quest for the titanium-substituted hydrocarbons

artículo científico publicado en 2005

Thermal and chemical decomposition of di(pyrazine)silver(ii) peroxydisulfate and unusual crystal structure of a Ag(i) by-product

artículo científico publicado en 2011

Thermal decomposition of the non-interstitial hydrides for the storage and production of hydrogen

artículo científico publicado en 2004

Titelbild: AgIISO4: A Genuine Sulfate of Divalent Silver with Anomalously Strong One-Dimensional Antiferromagnetic Interactions (Angew. Chem. 9/2010)

Towards a metallic quasi-d9system without copper: AgO at high pressure

Towards a tunable molecular memory that fits into a (10 A)3 cube

artículo científico publicado en 2005

Towards superconductivity in hydrides: computational studies of two hypothetical ternary compounds, Yb(II)BeH4 and Cs3Yb(III)H6

scientific article published on 08 March 2007

Two new derivatives of scandium borohydride, MSc(BH4)4, M = Rb, Cs, prepared via a one-pot solvent-mediated method

scientific article published on 15 July 2019

Unprecedented flexibility of the >Ti=Si< group for the addition of H2

scientific article published on 06 March 2007

Unusual Thermal Decomposition of AgIISO4 Yielding AgI2S2O7: Bending Hammond’s Rule

artículo científico publicado en 2011

Vibronic coupling in molecules and in solids

artículo científico publicado en 2003

Y(BH4)3--an old-new ternary hydrogen store aka learning from a multitude of failures

artículo científico publicado en 2009

[Ag(OH2 )2 ][Ag(SO4 )2 ]: A Hydrate of a Silver(II) Salt

artículo científico publicado en 2016

Lista de obras de Wojciech Grochala

A low temperature pyrolytic route to amorphous quasi-hexagonal boron nitride from hydrogen rich (NH4)3Mg(BH4)5

A metastable He-O bond inside a ferroelectric molecular cavity: (HeO)(LiF)2.

A multifaceted approach to hydrogen storage

Ag(II)SO4: a genuine sulfate of divalent silver with anomalously strong one-dimensional antiferromagnetic interactions

Ag2S2O8 meets AgSO4: the second example of metal-ligand redox isomerism among inorganic systems.

Ag3(SO3F)4: A Rare Example of a Mixed-Valent AgII/AgI Compound Showing 1D Antiferromagnetism

AgIISO4: A Genuine Sulfate of Divalent Silver with Anomalously Strong One-Dimensional Antiferromagnetic Interactions

AgPO2F2 and Ag9(PO2F2)14: the first Ag(i) and Ag(i)/Ag(ii) difluorophosphates with complex crystal structures.

AgS2O6CF3: the first trifluoromethylsulfonylsulfate(vi)

Amidoboranes of rubidium and caesium: the last missing members of the alkali metal amidoborane family.

Atomic/Ionic Radius as Mathematical Limit of System Energy Evolution

Atypical compounds of gases, which have been called 'noble'.

AuO: Evolving from Dis- to Comproportionation and Back Again

Beyond Oxides: Nitride as a Ligand in a Neutral IrIX NO3 Molecule Bearing a Transition Metal at High Oxidation State

Borohydride as Magnetic Superexchange Pathway in Late Lanthanide Borohydrides

Canted Antiferromagnetism in Two-Dimensional Silver(II) Bis[pentafluoridooxidotungstate(VI)].

Charge ordering mechanism in silver difluoride

ChemInform Abstract: Ag3(SO3F)4: A Rare Example of a Mixed-Valent AgII/AgI Compound Showing 1D Antiferromagnetism

ChemInform Abstract: AgIISO4: A Genuine Sulfate of Divalent Silver with Anomalously Strong One-Dimensional Antiferromagnetic Interactions

ChemInform Abstract: Silver(II) Fluorosulfate: A Thermally Fragile Ferromagnetic Derivative of Divalent Silver in an Oxa-Ligand Environment

ChemInform Abstract: The Theoretical Quest for Sulfate of Ag2+: Genuine Ag(II)SO4, Diamagnetic Ag(I)2S2O8, or Rather Mixed-Valence Ag(I)[Ag(III)(SO4)2]?

Chemistry of silver(II): a cornucopia of peculiarities†.

Chemo-switched chromatic, magnetic and structural changes with retention of molecular crystallinity, Ni(12aneS4)(BF4)2.

Comment on “Pressure-induced structural and valence transition in AgO” by C. Hou, J. Botana, X. Zhang, X. Wang and M. Miao, Phys. Chem. Chem. Phys., 2016, 18, 15322

Complete Series of Alkali-Metal M(BH3NH2BH2NH2BH3) Hydrogen-Storage Salts Accessed via Metathesis in Organic Solvents

Correction: The generalized maximum hardness principle revisited and applied to atoms and molecules

Cover Picture: AgIISO4: A Genuine Sulfate of Divalent Silver with Anomalously Strong One-Dimensional Antiferromagnetic Interactions (Angew. Chem. Int. Ed. 9/2010)

Cover Picture: Towards a metallic quasi-d9system without copper: AgO at high pressure (Phys. Status Solidi RRL 7/2015)

Crystal and electronic structure, lattice dynamics and thermal properties of Ag(I)(SO3)R (R = F, CF3) Lewis acids in the solid state

Crystal and electronic structures and high-pressure behavior of AgSO4, a unique narrow band gap antiferromagnetic semiconductor: LDA(+U) picture

Crystal, electronic, and magnetic structures of M2AgF4 (M = Na-Cs) phases as viewed from the DFT+U method

Diamond: electronic ground state of carbon at temperatures approaching 0 K.

Dramatic enhancement of spin–spin coupling and quenching of magnetic dimensionality in compressed silver difluoride

Efficient Electrosynthesis of AgIISO4: A Powerful Oxidizer and Narrow Band Gap Semiconductor

Elusive AuF in the solid state as accessed via high pressure comproportionation

Facile formation of thermodynamically unstable novel borohydride materials by a wet chemistry route

Ferromagnetic ground state for a hypothetical iron-based extended metal atom chain

First there was hydrogen

Freezing in resonance structures for better packing: XeF2 becomes (XeF+)(F-) at large compression

Generation of the ArCF22+ Dication

Gigantic work function in layered AgF2

Hexaaquanickel(II) disulfato(1,4,8,11-tetraazacyclotetradecane)nickelate(II) dihydrate ⬇️

High-Pressure Behavior of Silver Fluorides up to 40 GPa.

High-temperature superconductivity as viewed from the maximum hardness principle

Hydrogen storage materials: room-temperature wet-chemistry approach toward mixed-metal borohydrides

Insights from impedance spectroscopy into the mechanism of thermal decomposition of M(NH2BH3), M = H, Li, Na, Li(0.5)Na(0.5), hydrogen stores

KAgF3, K2AgF4 and K3Ag2F7: important steps towards a layered antiferromagnetic fluoroargentate(II),

Ligation of Aza bases to the AgF2 molecule: a theoretical study

Local and Cooperative Jahn-Teller Effect and Resultant Magnetic Properties of M2AgF4 (M = Na-Cs) Phases.

MYb(BH4)4 (M = K, Na) from laboratory X-ray powder data.

M[Y(BH4)4] and M2Li[Y(BH4)(6-x)Clx] (M = Rb, Cs): new borohydride derivatives of yttrium and their hydrogen storage properties

Magnetism: small changes, big consequences

Mono- and Bimetalic Amidoboranes

Most probable distance between the nucleus and HOMO electron: the latent meaning of atomic radius from the product of chemical hardness and polarizability

Na2AgF4: 1D antiferromagnet with unusually short Ag2+···Ag2+ separation.

Na[Li(NH2BH3)2] – the first mixed-cation amidoborane with unusual crystal structure

Noble gas monoxides stabilized in a dipolar cavity: a theoretical study

Nonstationary Two-Dimensional Nuclear Magnetic Resonance: A Method for Studying Reaction Mechanisms in Situ

On possible existence of pseudobinary mixed valence fluorides of Ag(I) / Ag(II): a DFT study ⬇️

On the Covalency of Silver–Fluorine Bonds in Compounds of Silver(I), Silver(II) and Silver(III) ⬇️

On the position of helium and neon in the Periodic Table of Elements

Orbital landscapes for reductive 2e- activation of dihydrogen molecule

Persistence of Mixed and Non-intermediate Valence in the High-Pressure Structure of Silver(I,III) Oxide, AgO: A Combined Raman, X-ray Diffraction (XRD), and Density Functional Theory (DFT) Study.

Phase transition induced improvement in H2 desorption kinetics: the case of the high-temperature form of Y(BH4)3.

Phonon spectra and phonon-dependent properties of AgSO4, an unusual sulfate of divalent silver

Predicting crystal structures and properties of matter under extreme conditions via quantum mechanics: the pressure is on

Prediction of Extremely Strong Antiferromagnetic Superexchange in Silver(II) Fluorides: Challenging the Oxocuprates(II).

Preparative Electrosynthesis of Strong Oxidizers at Boron-Doped Diamond Electrode in Anhydrous HF

Probing Lewis acidity of Y(BH4)3via its reactions with MBH4 (M = Li, Na, K, NMe4) ⬇️

PtX as the limit of high oxidation states in oxide-nitride species

Real and Hypothetical Intermediate-Valence Ag(II)/Ag(III) and Ag(II)/Ag(I) Fluoride Systems as Potential Superconductors

Redetermination of crystal structure of Ag(ii)SO4and its high-pressure behavior up to 30 GPa

Remarks on catalytic reduction of CO2, H+ and H2 by monovalent Ni.

Silver route to cuprate analogs

Silver(II) Fluorosulfate: A Thermally Fragile Ferromagnetic Derivative of Divalent Silver in an Oxa-Ligand Environment

Silver(ii) triflate with one-dimensional [Ag(ii)(SO3CF3)4/2]∞ chains hosting antiferromagnetism

Silverland: the Realm of Compounds of Divalent Silver—and Why They are Interesting

Stability of hypothetical AgIICl2 polymorphs under high pressure, revisited: a computational study

Stabilization and strong oxidizing properties of Ag(II) in a fluorine-free solvent