Wojciech
Grochala – List of Publications (since 1997)
2020–2029
202. Grochala W, Szarek P
Lessons from the Maximum Hardness
Principle
In: “Chemical reactivity. Vol. 1 Theories
and principles”, Eds. S. Kaya, L. von Szentpaly, G. Serdaroglu, L. Guo, Elsevier,
Amsterdam, pp.277-312, May 2023 (dedicated to memory of Ralph G. Pearson)
(invited book chapter)
191.
Bachar N, Koteras K, Gawraczyński J, Trzciński W, Paszula J, Piombo R, Barone
P, Mazej Z, Ghiringhelli GC, Nag A, Zhou K, Lorenzana J, van der Marel D, Grochala W
Charge transfer gap and d-d excitations
in AgF2
PHYS REV RES 4(2): 023108 2022 arXiv:2105.08862
183. Grochala W
Pressure induced phase transitions
In: Chemical Reactivity in Confined
Systems: Theory, Modelling and Applications, Eds. P. K. Chattaraj, D.
Chakraborty, John Wiley & Sons, Oxford 2021
(invited book chapter) pp. 25–47
182.
Domański M, Derzsi M, Grochala W
Theoretical study of ternary silver
fluorides AgMF4 (M = Co, Ni, Cu) formation at pressures up to 20 GPa
RSC ADVANCES 11(41): 25801-25810 2021 (to Gary Schrobilgen at his 75th
birthday) arXiv:2010.02544
181.
Grochala
W
Taming the dramatic redox reactions
WIADOM CHEM 75(5-6): 755-769 2021 (sci-pop account, in Polish)
180.
Bandaru S, Derzsi M, Grzelak A, Lorenzana J, Grochala W
Fate of doped carriers in silver
fluoride cuprate analogues
PHYS REV MATER 5(6): 064801 2021 (dedicated to Jan Zaanen at his birthday)
arXiv:2012.13236
179.
Grzelak A, Lorenzana J, Grochala W
Separation-controlled redox reactions
ANGEW CHEM INT ED ENGL 60(25): 13892-13895 2021 (dedicated to Adam Proń at his 70th
birthday)
178.
Domański M, Grochala W
The fate of compound with AgF2
: AgO stoichiometry – a theoretical study
J CHEM PHYS 154(20): 204705 2021 (to Leszek Stolarczyk at his 70th
birthday, invited paper, special issue) arXiv:2103.04733
177.
Leszczyński PJ, Jaroń T, Malinowski PJ, Gawraczyński J, Mazej Z, Grochala W
Polyaromatic hydrocarbons and their
derivatives and adducts with solvents from Ag(II)SO4–based oxidative C–C
coupling
POLYCYC AROMAT COMP 41(4): 795-804 2021
(dedicated to Janusz Jurczak at his birthday)
176.
Grochala
W
Watch the colours – or about qualitative
thinking in chemistry
FOUND CHEM 23(1): 41–58 2021 (celebrates 145th birth
anniversary of G. N. Lewis)
175.
Kurzydłowski D, Derzsi M, Zurek E, Grochala W
Fluorides of silver under high
compression
CHEM EUR J 27(17): 5536–5545 2021 arXiv:2012.09583 HOT PAPER!
174.
Grzelak A, Derzsi M, Grochala W
Defect trapping and phase separation in
chemically doped bulk AgF2
INORG CHEM 60(3): 1561-1570 2021 (to Boris Žemva at his 80th
birthday) arXiv:2010.01843
173.
Koteras K, Gawraczyński J, Mazej Z, Derzsi M, Grochala W
Lattice dynamics in KAgF3,
unique 1D antiferromagnet
CHEMISTRY 3(1): 94-103 2021 (invited paper, special issue, dedicated to
Josef Michl at his 80th birthday) arXiv:2012.07010
172.
Derzsi M, Tokár K, Grochala W
Comparative computational study of
antiferromagnetic and mixed- valent diamagnetic phase of AgF2:
crystal, electronic and phonon structure and p-T phase diagram
COMPUT MATER SCI 188: 110250 2021 (to K. Parliński at his 80th birthday) arXiv:2008.03081
171.
Bannenberg L, El Kharbachi A, Heere M, Benzidi H, Montero J, Dematteis EM,
Suwarno S, Jaroń T, Winny M, Orłowski PA, Wegner W, Starobrat A, Fijałkowski
KJ, Grochala W, Qian Z, Bonnet J-P, Nuta I, Lohstroh W, Zlotea C,
Mounkachi O, Cuevas F, Chatillon C, Latroche M, Fichtner M, Baricco M, Hauback
BC
Metal (boro)hydrides for high energy
density storage and relevant emerging technologies
INT J HYDROGEN ENERGY 45(58): 33687-33730 2020
170.
Grochala
W
When fluorine messes up: the impact of
electron scavenger on properties of molecules and solids
in: The Curious World of Fluorinated
Molecules, vol.6 Molecules Containing Fluorine, Elsevier, 1st Ed.,
Ed. K. Seppelt, Amsterdam 2020
p.15–57 (invited book chapter)
169.
Wolański L, Domański M, Szarek P, Grochala W
PtX as the limit of high
oxidation states in oxide–nitride species
CHEM COMMUN 56(86): 13137-13140 2020 (celebrates the 100th anniversary
of the Polish Chemical Society)
168.
Jaroń T, Starobrat A, Struzhkin VV, Grochala W
Inclusion of neon into yttrium borohydride
at elevated pressure – an experimental and theoretical study
EUR J INORG CHEM 2020(40): 3846-3851 2020 (to T. M. Krygowski at his 80th
birthday)
167.
Wegner W, Tokár K, Lorenzana J, Derzsi M, Grochala W
Gigantic work function in layered AgF2
PHYS CHEM CHEM PHYS 22(38): 21809-21815 2020
arXiv:2006.05695
165.
Grzelak A, Su H, Yang X, Kurzydlowski D, Lorenzana J, Grochala W
Epitaxial engineering of flat silver(II)
fluoride cuprate analogs
PHYS REV MATER 4(8): 084405 2020
arXiv:2005.00461 Editor’s suggestion
164.
El Kharbachi A, Dematteis E, Shinzato K, Stevenson S, Bannenberg L, Heere M,
Zlotea C, Szilágyi PÁ, Bonnet J-P, Grochala W, Ichikawa T, Baricco M,
Hauback B
Metal Hydrides and Related Materials – Energy
Carriers for Novel Hydrogen and Electrochemical Storage
J PHYS CHEM C 124(14): 7599-7607 2020 (invited post-conference viewpoint
contribution)
163.
Domański M, Wolański L, Szarek P, Grochala W
The high covalence of metal-ligand bonds
as stability limiting factor: the case of Rh(IX)O4+ and
Rh(IX)NO3
J MOL MODEL 26: 52 2020 (invited paper, special issue, dedicated to
Z. Latajka at his 70th birthday)
162.
Wegner W, Fijalkowski KJ, Grochala W
A low temperature pyrolytic route to
amorphous quasi-hexagonal boron nitride from hydrogen rich (NH4)3Mg(BH4)5
DALTON TRANS 49(2): 336-342 2020 (dedicated to Mihail Eremets at his
birthday)
2010–2019
161.
Nawrocka E, Kasprzak P, Zawada K, Sadło J, Grochala W, Kazimierczuk K,
Leszczyński PJ
Non-stationary 2D NMR – a novel method
for studying reaction mechanism in situ
ANAL CHEM 91(17): 11306-11315 2019
160.
Derzsi M, Grzelak A, Kondratiuk P, Tokar K, Grochala W
Quest for compounds at the verge of
charge transfer instabilities: the case of silver(II) chloride
CRYSTALS 9(8): 423 2019 (invited paper to special issue, dedicated
to memory of K. Fajans)
159.
Starobrat A, Jaroń T, Grochala W
The two new derivatives of scandium
borohydride, MSc(BH4)4, M = Rb, Cs, prepared via a one-pot
solvent-mediated method
DALTON TRANS 48(31): 11829-11837 2019 (dedicated
to G. Chałasiński at his 70th birthday)
158.
Wolański PJ, Domański M, Grochala W, Szarek P
Beyond oxides: nitride as a ligand in a
neutral IrIXNO3 molecule bearing transition
metal at high oxidation state
CHEM EUR J 25(44): 10290-10293 2019
(commemorating 150th anniversary of the Mendeleyev’s Periodic
Table). see also cover HOT PAPER!
157.
Wegner W, van Leusen J, Majewski J, Grochala W, Kögerler P
Borohydride as a magnetic superexchange
pathway in late lanthanide borohydrides
EUR J INORG CHEM 2019(13): 1776–1783 2019
(commemorating Copernicus’s 545th birthday
anniversary)
156.
Połczyński P, Jurczakowski R, Grzelak A, Goreshnik E, Mazej Z, Grochala W
Preparative electrosynthesis of strong
oxidizers at boron doped diamond electrode in anhydrous HF
CHEM EUR J 25(19): 4927-4930 2019
(dedicated to Josef Michl at his birthday)
155.
Gawraczyński J, Kurzydłowski D, Ewings R, Bandaru S, Gadomski W, Mazej Z, Ruani
G, Bergenti I, Jaroń T, Ozarowski A, Hill S, Leszczyński PJ, Tokár K, Derzsi M,
Barone P, Wohlfeld K, Lorenzana J, Grochala W
Silver route to cuprate analogs
PROC NAT ACAD SCI USA 116(5): 1495-1500 2019 &
arXiv:1804.00329 see also Superconductor Week
33(3) 2019
154.
Szarek P, Chlebicki A, Grochala W
Atomic / Ionic Radius as Mathematical
Limit of System Energy Evolution
J PHYS CHEM A 123(3): 682-692 2019
153.
Leszczyński PJ, Budniak A, Grzeszkiewicz M, Gawraczyński J, Dobrzycki Ł,
Malinowski PJ, Jaroń T, Cyrański MK, Szarek P, Mazej Z, Grochala W
Insights into reactivity patterns of
Ag(II)SO4 with respect to fluoro and
trifluoromethyl-substituted aromatics
J FLUOR CHEM 218: 105-110 2019
(dedicated to Henryk Koroniak at his birthday; special issue of Nanjing
Fluorine Days)
152.
Kurzydłowski D, Derzsi M, Barone P, Grzelak A, Struzhkin VV, Lorenzana J, Grochala W
Dramatic enhancement of spin-spin
coupling and quenching of magnetic dimensionality in compressed silver
difluoride
CHEM COMMUN 54(73): 10252-10255 2018
(invited paper, special issue; dedicated to Ján Gažo in memoriam) & arXiv:1807.05850 see also
cover
151.
Grochala
W
On the position of helium and neon in
the Periodic Table of Elements
FOUND CHEM 20(3): 191-207 2018
(commemorating the 150th anniversary of the
discovery of helium and the 120th of neon)
150.
Grochala
W,
Derzsi M
High-temperature superconductivity as
viewed from the Maximum Hardness Principle
J MOL MODEL 24:233 2018 (invited
paper, special issue; dedicated to Pratim Kumar Chattaraj at his birthday)
149.
Starobrat A, Jaroń T, Grochala W
New hydrogen-rich ammonium metal
borohydrides, (NH4)[M(BH4)4], M = Y, Sc, Al, as
potential H2 sources
DALTON TRANS 47(13): 4442–4448 2018
(dedicated to Viktor V. Struzhkin at his birthday) see also cover
148.
Wegner W, Jaroń T, Grochala W
Preparation of a series of lanthanide
borohydrides and their thermal decomposition to refractory lanthanide borides
J ALLOYS COMP 744: 57-63 2018
(Prof. Z. R. Grabowski in memoriam)
147.
Grochala W
Silverland: the realm of compounds of divalent silver – and why they are
interesting
J SUPERCOND NOVEL MAGNET 31(3): 737-752 2018 (conference proceedings,
Superstripes 2017, commemorates the 150th birth anniversary of
Madame Curie)
146.
Grochala W
From hydrogen storage materials to metallic and superconducting hydrides
254th
National Meeting and Exposition of the American-Chemical-Society (ACS) on
Chemistry's Impact on the Global Economy
Aug
20 2017 | ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY 254
145.
Grochala
W
Beyond GGA: benefits from hybrid HSE06
functional for correct description of crystal and electronic structure and
lattice dynamics of solids at ambient and elevated pressure
Book Series: Journal of Physics Conference
Series, Volume: 950, Article Number: UNSP 032021, 2017 (Proceedings:
Conference: Joint 25th AIRAPT / 53rd EHPRG International
Conference on High Pressure Science and Technology, Madrid, SPAIN, AUG 30-SEP
04, 2015)
144.
Grzelak A, Gawraczyński J, Jaroń T, Kurzydłowski D, Budzianowski A, Mazej Z, Leszczyński
PJ, Prakapenka VB, Derzsi M, Struzhkin VV, Grochala W
High pressure behavior of silver
fluorides up to 40 GPa
INORG CHEM 56(23): 14651–14661 2017
(dedicated to N.W. Ashcroft at his birthday)
143.
Grochala
W
The Maximum Hardness Principle revisited and
applied to solids (Part 2)
PHYS CHEM CHEM PHYS 19(46): 30984-31006 2017
(dedicated to Roald Hoffmann at his 80th
birthday) HOT PAPER!
142.
Grochala
W
The Maximum Hardness Principle revisited and
applied to atoms and molecules (Part 1) + Erratum
PHYS CHEM CHEM PHYS 19(46): 30964-30983 2017
+ erratum 31508-31508 (dedicated to Ralph G. Pearson at his 98th birthday) see
also cover HOT PAPER!
141.
Owarzany R, Jaroń T, Leszczyński PJ, Fijalkowski KJ, Grochala W
Amidoboranes of rubidium and cesium: the last
missing members of the alkali metal amidoborane family
DALTON TRANS 46(46): 16315-16320 2017
(dedicated to Prof. Roman Mierzecki at his 95th birthday)
140.
Grzelak A, Gawraczyński J, Jaroń T, Kurzydłowski D, Mazej Z, Leszczyński PJ,
Prakapenka VB, Derzsi M, Struzhkin VV, Grochala W
Metal fluoride nanowires featuring
square-planar building blocks in a high-pressure polymorph of AgF2
DALTON TRANS 46(43): 14742-14745 2017
(Prof. Adam Bielański in memoriam)
|
139. Kurzydłowski D, Grochala W |
138.
Budniak A, Leszczyński PJ, Masny M, Prezelj K, Grzeszkiewicz M, Gilewski TE, Gawraczyński
J, Dobrzycki Ł, Cyrański MK, Koźmiński W, Mazej Z, Fijałkowski KJ, Grochala W
Reconnaissance of reactivity of Ag(II)SO4 one-electron
oxidizer towards naphthalene derivatives
NEW J CHEM 41(19): 10742-10749 2017
(dedicated to Mieczysław Mąkosza)
137.
Kurzydłowski D, Grochala W
Prediction of extremely strong
antiferromagnetic superexchange in silver(II) fluorides: challenging the
oxocuprates(II)
ANGEW CHEM INT ED ENGL 56(34): 10114–10117 2017
(dedicated to Roald Hoffmann at his 80th
birthday)
136.
Grzelak A, Gawraczyński J, Jaroń T, Sommayazulu M, Derzsi M, Struzhkin VV, Grochala W
Persistence of mixed valence in the
high-pressure structure of silver (I,III) oxide AgO: a combined Raman, XRD and
DFT study
INORG CHEM 56(10): 5804–5812 2017
135.
Gilewski TE, Gawraczyński J, Derzsi M, Jagličić Z, Mazej Z, Połczyński P,
Jurczakowski R, Leszczyński PJ, Grochala W
[Ag(OH2)2][Ag(SO4)2]: a hydrate of a
silver(II) salt
CHEM EUR J 23(8): 1805-1813 2017
(dedicated to Leszek Stolarczyk at his 65th
birthday) see also cover
134.
Mazej Z, Gilewski TE, Goreshnik EA, Jagličić Z, Derzsi M, Grochala W
Canted antiferromagnetism in
two-dimensional silver(II) bis[pentafluoridooxidotungstate(VI)]
INORG CHEM 56(1): 224-233 2017
(dedicated to Piotr Leszczyński at his 50th
birthday)
133.
Połczyński P, Gilewski TE, Gawraczyński J, Derzsi M, Gadomski W, Leszczyński
PJ, Mazej Z, Jurczakowski R, Grochala W
Efficient electrosynthesis of Ag(II)SO4, powerful oxidizer
and narrow band gap semiconductor
EUR J INORG CHEM (35): 5401–5404 2016
(dedicated to Karl Christe at his 80th birthday) see
also cover
132.
Derzsi M, Grochala W
Comment to “Pressure-induced structural and
valence transition in AgO” by C. Hou, J. Botana, X. Zhang, X. Wang, and M.
Miao, published in Phys. Chem. Chem. Phys., 2016, 18, 15322
PHYS CHEM CHEM PHYS 18(46): 31973–31974 2016
131.
Gilewski TE, Leszczyński PJ, Budzianowski A, Mazej Z, Grzelak A, Jaroń T, Grochala W
Ag2S2O8 meets AgSO4: the second example
of metal-ligand redox isomerism among inorganic systems
DALTON TRANS (45): 18202-18207 2016
(commemorates the 120th birth anniversary of
Gilbert N. Lewis & centennial of his “octet rule” paper)
130.
Kurzydłowski D, Jaroń T, Ozarowski A, Hill S, Jagličić Z, Filinchuk Y, Mazej Z,
Grochala
W
Local and Cooperative Jahn-Teller Effect
and Resultant Magnetic Properties of M2AgF4 (M = Na–Cs) Phases
INORG CHEM 55(21): 11479–11489 2016
(dedicated to Tomasz Dietl at his 65th birthday)
129.
Kurzydłowski D, Derzsi M, Mazej Z, Grochala W
Crystal, electronic, and magnetic
structure of M2AgF4 (M = Na–Cs) phases
phases as viewed from the DFT+U method
DALTON TRANS 45(41): 16255–16261 2016
(dedicated to memory of Rudolf Hoppe)
128.
Wegner W, Jaroń T, Dobrowolski MA, Dobrzycki Ł, Cyrański MK, Grochala W
Organic derivatives of Mg(BH4)2 as precursors
towards MgB2 and novel inorganic mixed-cation
borohydrides
DALTON TRANS 45(36): 14370–14377 2016
127.
Michałowski T, Malinowski PJ, Grochala W
Synthesis, crystal structures, and selected
properties of metal fluorosulphates(VI)
J FLUOR CHEM 189: 102-118 2016
(dedicated to Zoran Mazej at his 50th birthday)
126.
Owarzany R, Leszczyński PJ, Fijalkowski KJ, Grochala W
Mono- and Bimetalic Amidoboranes
CRYSTALS 6(8): Art. 88 (1-32) 2016
(dedicated to wedding anniversary of Mr & Mrs
Fijalkowski)
125.
Mazej Z, Kurzydłowski D, Grochala W
Unique silver(II) fluorides: the
emerging electronic and magnetic materials (invited book chapter)
In: Photonic and Electronic Properties of
Fluoride Materials, Eds. A. Tressaud & K. Poeppelmeier, 231-260, Elsevier 2016
124.
Szarek P, Wegner W, Grochala W
Ferromagnetic ground state for hypothetical
iron-based Extended Metal Atom Chain
J MOL MODEL 22(3): 63 1-7 2016
123.
Hermann A, Derzsi M, Grochala W, Hoffmann R
AuO: evolving from dis- to comproportionation,
and back again
INORG CHEM 55(3): 1278-1286 2016
122.
Owarzany R, Fijalkowski KJ, Jaroń T, Leszczyński PJ, Dobrzycki Ł, Cyrański MK, Grochala W
Complete series of alkali metal M(BH3NH2BH2NH2BH3) hydrogen stores
accessed via metathesis in organic solvents
INORG CHEM 55(1): 37–45 2016
121.
Starobrat A, Tyszkiewicz M, Wegner W, Pancerz D, Orłowski PA, Leszczyński PJ,
Fijalkowski KJ, Jaroń T, Grochala W
Salts of highly fluorinated weakly
coordinating anions as versatile precursors towards hydrogen storage materials
DALTON TRANS 44(45): 19469–19477 2015
(invited paper for special issue)
120.
Malinowski PJ, Kurzydłowski D, Grochala W
AgPO2F2 and Ag9(PO2F2)14 – the first Ag(I)
and Ag(I)/Ag(II) difluorophosphates with complex crystal structures
DALTON TRANS 44(45): 19478–19486 2015
(for special issue) see also cover
119.
Starobrat A, Jaroń T, Grochala W
Synthesis and characterization of a
series of mixed-cation borohydrides of scandium: [Cat][Sc(BH4)4], [Cat]=[Me4N], [n-Bu4N], and [Ph4P]
INORG CHIM ACTA 437: 70-73 2015
118.
Szarek P, Grochala W
Fine-tuning of magnetic properties in Ni(II)
trinuclear EMACs via modifications of equatorial ligands
J PHYS CHEM A 119(35): 9363-9372 2015
117.
Włodarska I, Derzsi M, Grochala W
Towards a metallic quasi-d9 system without
copper: AgO at high pressure
PHYS STAT SOL RRL 9(7): 401-404 2015
see also cover
116.
Mazej Z, Michałowski T, Goreshnik E, Jagličić Z, Arčon I, Szydłowska J, Grochala W
The first example of a mixed valence
ternary compound of silver with random distribution of Ag(I) and Ag(II) cations
DALTON TRANS 44(24): 10957-10968 2015
see also cover
115.
Adamczyk W, Połczyński P, Mika A, Jaroń T, Mazej Z, Fijałkowski KJ,
Jurczakowski R, Grochala W
New
Ag(F1–xClx)y phases for energy
storage applications
J
FLUOR CHEM 174: 22-29 2015 (invited paper, special isssue, 155th Int. Fluorine
Conference JSPS)
114. Jaroń T, Wegner W, Fijałkowski KJ,
Leszczyński PJ, Grochala W
Facile
formation of thermodynamically unstable novel borohydride materials by a wet
chemistry route
CHEM
EUR J 21(15): 5689-5692 2015 (dedicated to Martin
Jansen) see also cover
113.
Grzelak A, Jaroń T, Mazej Z, Michałowski T, Szarek P, Grochala W
Anomalous
Chemical Shifts in X-ray Photoelectron Spectra of Sulfur-Containing Compounds
of Silver (I) and (II)
J
ELECTR SPECTR REL PHENOM 202: 38–45 2015
(dedicated to memory of Prof. Jack Lord Lewis of
Newnham)
112.
Szarek P, Grochala W
Noble
gas monoxides stabilized in dipolar cavity: a theoretical study
J
PHYS CHEM A 119(11): 2483–2489 2015 (invited paper to
special isssue, dedicated to M. Räsänen)
111.
Grochala W
First there was hydrogen
NATURE CHEM 7(3): 264-264 2015
(invited paper to the “in your element”section) proof
105.
Wegner W, Jaroń T, Grochala W
Polymorphism and hydrogen discharge from
holmium borohydride, Ho(BH4)3, and KHo(BH4)4
INT J HYDROGEN ENERGY 39(35): 20024-20030 2014
(dedicated to G. Chałasiński at his 65th birthday)
104.
Szarek P, Grochala W
The most probable distance between nucleus and
HOMO electron – the latent meaning of atomic radius from the product of
chemical hardness and polarizability
J PHYS CHEM A 118(44): 10281–10287 2014
(dedicated to A. W. Sokalski)
103.
Fijałkowski KJ, Jaroń T, Leszczyński PJ, Magoś-Palasyuk E, Palasyuk T, Cyrański
MK, Grochala W
M(BH3NH2BH2NH2BH3) salts – the missing
link in the mechanism of thermal decomposition of light alkali metal
amidoboranes
PHYS CHEM CHEM PHYS 16(42): 23340-23346 2014
(dedicated to Jerzy Fijałkowski)
102.
Derzsi M, Piekarz P, Grochala W
Structures of late transition metal monoxides
from Jahn-Teller instabilities in the rock salt lattice
PHYS REV LETT 113(2): 025505 2014
see also press note and press note in Polish
101.
Grochala
W
Diamond: the electronic ground state of carbon
at temperatures approaching 0 K
ANGEW CHEM INT ED ENGL 53(14): 3680-3683 2014
(dedicated to Robert G. Parr at his birthday) see also cover, press note, press note in Polish, and University_press
100.
Wegner W, Jaroń T, Grochala W
Structures of MYb(BH4)4 (M = K, Na) from
laboratory X-ray powder data
ACTA CRYST C 69(11): 1289-1291 2013
99.
Połczyński P, Jurczakowski R, Grochala W
Strong and long-lived free-radical oxidizer
based on silver(II). Mechanism of Ag(I) electrooxidation in concentrated
H2SO4
J PHYS CHEM C 117(40): 20689-20696 2013
(dedicated to Jacek Lipkowski)
98.
Derzsi M, Hermann A, Hoffmann R, Grochala W
The close relationships between the crystal
structures of MO and MSO4 compounds (M= Group
10, 11 or 12 metal), and predicted structures for AuO and PtSO4
EUR J INORG CHEM (29): 5094-5102 2013
(in memoriam Detlef Schröder)
97.
Leszczyński PJ, Grochala W
Strong cationic oxidizers: thermal
decomposition, electronic structure and magnetism of their compounds
ACTA CHIM SLOVEN 60(3): 455-470 2013
(invited paper to special issue, dedicated to Boris Žemva)
96.
Połczyński P, Jurczakowski R, Grochala W
Stabilization and strong oxidizing properties
of Ag(II) in a fluorine-free solvent
CHEM COMMUN 49(68): 7480-7482 2013
(dedicated to Zbigniew Galus at his 80th
birthday) see also cover, press note in Polish, and University_press
95.
Malinowski P, Derzsi M, Grochala W
Ag(I)S2O6CF3: the first
trifluoromethylsulfonylsulfate(VI)
DALTON TRANS 42(29): 10417-10423 2013
(dedicated to D. DesMarteau) see also cover and University_press
94.
Kurzydłowski D, Mazej Z, Jagličić Z, Filinchuk Y, Grochala W
Structural transition and unusually
strong 1D antiferromagnetic superexchange coupling in perovskite KAgF3
CHEM COMMUN 49(56): 6262-6264 2013
(dedicated to John B. Goodenough, at his 90th birthday) see
also back_cover, press_note , press_note_in_Polish and University_press
93.
Jaroń T, Wegner W, Grochala W
M[Y(BH4)4] and M2Li[YCl(BH4)6-xClx] (M=Rb, Cs): new
borohydride derivatives of yttrium and their hydrogen storage properties
DALTON TRANS 42(19): 6886-6893 2013
(dedicated to Lucjan Piela, at his 70th
birthday)
92.
Kurzydłowski D, Mazej Z, Grochala W
Na2AgF4: 1D antiferromagnet
with unusually short Ag(II)…Ag(II) separation
DALTON TRANS 42(6): 2167-2173 2013 (dedicated to
Gary Schrobilgen)
91.
Derzsi M, Budzianowski A, Struzhkin VV, Malinowski PJ, Leszczyński PJ, Mazej Z,
Grochala
W
Redetermination of crystal structure of
Ag(II)SO4 and its high pressure behavior up
to 30 GPa
CRYSTENGCOMM 15(1): 192–198 2013
(dedicated to H. K. (Dave) Mao)
90.
Grochala
W
Metastable He–O bond inside a
ferroelectric molecular cavity: (HeO)(LiF)2
PHYS CHEM CHEM PHYS (14): 14860-14868 2012
(invited paper, commemorating the 50th anniversary of the
birth of noble gas chemistry) see also cover , press_note , press_note_in_Polish , and University_press
89.
Grochala
W
Orbital Approach to the Electronic
Structure of Solids
ANGEW CHEM INT ED ENGL 51(33): 8155-8155 2012
(invited book review)
88.
Michałowski T, Leszczyński PJ, Cyrański M, Dobrzycki Ł, Budzianowski A, Grochala W
The missing crystal structures of
fluorosulfates of monovalent cations: M(I)SO3F, M=Na, Rb and Tl
J FLUOR CHEM 140(8): 116-120 2012
(dedicated to Zbigniew Ryszard Grabowski at his 85th birthday)
87.
Jaroń T, Wegner W, Cyrański MK, Dobrzycki Ł, Grochala W
(n-Bu)4N+ cation in a
homoleptic borohydride environment: (n-Bu)4N(BH4) and [(n-Bu)4N][Y(BH4)4]
J SOLID STATE CHEM 191: 279–282 2012
(dedicated to Tadeusz Marek Krygowski at his 75th birthday)
86.
Churchard AJ, Derzsi M, Jagličić Z, Remhof A, Grochala W
Chemo-switched chromatic, structural and
magnetic changes with retention of molecular crystallinity, Ni(II)(12aneS4)(BF4)2
DALTON TRANS 41(17): 5172-5176 2012
see also cover , press_note_in_Polish and University_press
85.
Fijałkowski K, Jurczakowski R, Koźmiński W, Grochala W
Insights from impedance spectroscopy
into mechanism of thermal decomposition of M(NH2BH3) M=H, Li, Na, Li0.5Na0.5 hydrogen stores
PHYS CHEM CHEM PHYS 14(16): 5778-5784 2012
(commemorating the 220th birth anniversary of
Michael Faraday)
84.
Grochala
W,
Cyrański MK, Derzsi M, Michałowski T, Malinowski PJ, Mazej Z, Kurzydłowski D,
Koźminski W, Budzianowski A, Leszczyński PJ
Crystal and electronic structure,
lattice dynamics and thermal properties of Ag(I)(SO3)R (R=F, CF3) Lewis acids in the
solid state
DALTON TRANS 41(7): 2034-2047 2011 (in
memoriam Karel Lutar)
83.
Leszczyński PJ, Budzianowski A, Derzsi M, Dobrzycki Ł, Cyrański MK, Grochala W
Thermal and chemical decomposition of
di(pyrazine)silver(II) peroxydisulfate and unusual crystal structure of a Ag(I)
by-product
DALTON TRANS 41(2): 396-402 2012 (in
memoriam Piotr Wrona) HOT PAPER! See also cover, press_note and University_press
82.
Jaroń T, Grochala W
Y(BD4)3, An Efficient Store
of Deuterium, and Impact of Isotope Effects on Its Thermal Decomposition
J NUCL MATER 420(1-3): 307-313 2012
81.
Jaroń T, Grochala W
Probing Lewis acidity of Y(BH4)3 via its reactions
with MBH4 (M = Li, Na, K, NMe4)
DALTON TRANS 40(48): 12808-12817 2011
(dedicated to Hans Jörg Himmel)
80.
Malinowski PJ, Mazej Z, Derzsi M, Jagličić Z, Szydłowska J, Gilewski T, Grochala W
Silver (II) triflate with one
dimensional [Ag(II)(SO3CF3)4/2]∞ chains hosting antiferromagnetism
CRYST ENG COMMUN 13(22): 6871-6879 2011
(dedicated to Josef Michl)
79.
Derzsi M, Malinowski PJ, Mazej Z, Grochala W
Phonon spectra and phonon–dependent
properties of AgSO4, an unusual sulfate
of divalent silver
VIBR SPECTR 57(2): 334–337 2011 (dedicated
to Leszek Stolarczyk at his 60th birthday)
78.
Churchard AJ, Banach E, Borgschulte A, Caputo R, Chen J –C, Clary D,
Fijałkowski K, Geerlings H, Genova R, Grochala W, Jaroń T, Kroes G –J,
Lubić I, Naujoks N, Nørskov J, Pendolino F, Remhof A, Románszki L, Tekin A,
Vegge T, Zäch M, Züttel A
The multifaceted approach to solving the
hydrogen storage problem: a network review
PHYS CHEM CHEM PHYS 13(38): 16955-16972 2011
(perspective)
77.
Grochala
W
On possible existence of pseudobinary
mixed valence fluorides of Ag(I) / Ag(II): a DFT study
J MOL MODEL17(9): 2237-2248 2011 (MDMM
2010 proceedings, dedicated to M. X. Cyrański)
76.
Derzsi M, Stasiewicz J, Grochala W
Crystal and electronic structure and
high-pressure behaviour of AgSO4, a unique narrow
band gap semiconductor. LDA(+U) picture
J MOL MODEL 17(9): 2259-2264 2011 (MDMM
2010 proceedings, dedicated to memory of A. J. Sadlej)
75.
Malinowski PJ, Derzsi M, Budzianowski A, Leszczyński P, Gaweł B, Grochala W
Unusual thermal decomposition of
Ag(II)SO4 yielding Ag(I)2S2O7: bending the
Hammond’s rule
CHEM EUR J 17(38): 10524-10527 2011
(dedicated to Pekka Pyykkö at his 70th
birthday) See also cover, press_note , University_press and IJS_press
74.
Jaroń T, Grochala W
Tetramethylammonium borohydride from
powder data
ACTA CRYST E 67(8): o2171- o2171 2011
73.
Kurzydłowski D, Grochala W
Phonon dispersion analysis as an
indispensable tool for predictions of solid state polymorphism and dynamic
metastability: case of compressed silane
ACTA PHYS POLON A 119(6): 895-900 2011
(dedicated to Russ Hemley)
72.
Michałowski T, Malinowski P, Derzsi M, Mazej Z, Jagličić Z, Leszczyński P, Grochala W
Ag3(SO3F)4 – a rare example of
mixed valence Ag(I)/Ag(II) compound showing 1D antiferromagnetism
EUR J INORG CHEM (16): 2508–2516 2011
(dedicated to Boris Žemva at his birthday) see also In the realm of
science
71.
Malinowski P, Derzsi M, Mazej Z, Jagličić Z, Leszczyński P, Michałowski T, Grochala W
Ag(SO3F)2, silver(II)
fluorosulfate – a thermally fragile ferromagnetic derivative of divalent silver
in oxa- ligand environment
EUR J INORG CHEM (16): 2499–2507 2011
(dedicated to Felix Aubke)
70.
Grochala
W,
Khriachtchev L, Räsänen M
Noble Gas Chemistry
In: Physics & Chemistry at low
temperatures, ed. by L. Khriachtchev, Pan Stanford
Publishing 2011, pp. 421–448 (invited book chapter)
69.
Kurzydłowski D, Ejgierd-Zaleski P, Grochala W, Hoffmann R
Freezing in resonance structures for
better packing: XeF2 becomes (XeF+)(F–) at large
compression
INORG CHEM 50(8): 3832–3840 2011
(commemorating the 400th birth anniversary of
Jan Hevelius, emitent Polish astronomer) see also press_note and University_press
68.
Jaroń T, Koźmiński W, Grochala W
Phase transition induced improvement in
H2 desorption kinetics: the case of the
high-temperature form of Y(BH4)3
PHYS CHEM CHEM PHYS 13(19): 8847-8851 2011 (dedicated
to Anthony J. Downs)
67.
Fijałkowski K, Genova RV, Filinchuk Y, Budzianowski A, Derzsi M, Jaroń T,
Leszczyński PJ, Grochala W
Na[Li(NH2BH3)2] – the first
mixed-cation amidoborane with unusual crystal structure
DALTON TRANS 40(17): 4407-4413 2011
(dedicated to Marek Niezgódka at his 60th birthday)
66.
Churchard AJ, Cyrański MK, Grochala W
[Ni(II)(OH2)6]2+ [Ni(II)(cyclam)(SO4)2]2– x H2O, hexaaquanickel(II)
nickel(II)-1,4,8,11-tetraazacyclotetradecane-bissulfate monohydrate
ACTA CRYST C 66(9): m263-m265 2010
65.
Churchard AJ, Cyrański MK, Dobrzycki Ł, Budzianowski A, Grochala W
Nickel macrocycles with complex hydrides
– new avenues for hydrogen storage research
ENERGY ENV SCI 3(12): 1973–1978 2010
(dedicated to Bogdan Baranowski and to commemorate the first synthesis of NiHx) see
also press_release , press_note_in_Polish and University_press
64.
Budzianowski A, Derzsi M, Leszczyński PJ, Cyranski MK, Grochala W
Structural polymorphism of pyrazinium
hydrogen sulphate: extending chemistry of pyrazinium salts with small anions
ACTA CRYST B 66(4): 451-457 2010
(dedicated to A. Katrusiak)
63.
Kurzydłowski D, Derzsi M, Budzianowski A, Jagličić Z, Koźminski W, Mazej Z, Grochala W
Polymorphism of Fluoroargentates(II):
Facile Collapse of a Layered Network of α–K2AgF4 Due to Insufficient
Size of Potassium Cation
EUR J INORG CHEM (19): 2919-2925 2010
(in memoriam Neil Bartlett)
62.
Grochala
W,
Kurzydlowski D
Molecular Orbital Approach to Interpret
High Pressure Phenomena – Case of Elusive Gold Monofluoride
In: High-Pressure
Crystallography, NATO Science for Peace and Security SERIES,
ed. By E. Boldyreva & P. Dera, Springer 2010, pp. 357-372
(proceedings from Cryst. School, Erice, Italy; dedicated to Neil W. Ashcroft)
61.
Genova RV, Fijałkowski K, Budzianowski A, Grochala W
Towards Y(NH2BH3)3: Probing hydrogen
storage properties of YX3/MNH2BH3 (X = F, Cl; M = Li,
Na) and YHx~3/NH3BH3 composites
J ALLOYS COMP 499(2): 144-148 2010
60.
Derzsi M, Dymkowski K, Grochala W
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] ?
INORG CHEM 49(6): 2735-2742 2010
(dedicated to Martin Jansen)
59.
Malinowski PJ, Derzsi M, Gaweł B, Łasocha W, Jagličić Z, Mazej Z, Grochala W
AgIISO4: genuine sulfate
of divalent silver with anomalously strong 1D antiferromagnetic interactions
ANGEW CHEM INT ED ENGL 49(9): 1683-1686 2010
(commem. 125th birth anniv. of J.
Czochralski) VIP PAPER! See also cover , Mr.Hyde , Kwartalnik_UW , Slovenian_press and highlight
58.
Lockyear JF, Douglas K, Price SD, Karwowska M, Fijałkowski K, Grochala W, Remeš M, Roithová
J, Schröder D
Generation of the ArCF22+ Dication
J PHYS CHEM LETT 1(1): 358-362 2010
57.
Jaroń T, Grochala W
Y(BH4)3: An Old–New
Efficient Hydrogen Store aka Lessons from a Multitude of Failures
DALTON TRANS 39(1): 160-166 2010
(dedicated to L. Schlapbach, 65th birthday)
2000–2009
56.
Grochala
W
The Theory–Driven Quest For A Novel
Family of Superconductors: Fluorides
J MATER CHEM 19(38): 6949-6968 2009
(invited feature paper, dedicated to L. Piela, 65th birthday) see
also Superconductor Week and back_cover
55.
Mazej Z, Goreshnik E, Jagličić Z, Gaweł B, Łasocha W, Grzybowska D, Jaroń T,
Kurzydłowski D, Malinowski P, Koźminski W, Szydłowska J, Leszczyński P, Grochala W
KAgF3, K2AgF4 and K3Ag2F7: Important Steps
Towards a Layered Antiferromagnetic Fluoroargentate (II)
CRYST ENG COMM 11(8): 1702-1710 2009
(60th birthday P.P. Edwards and 75th anniv. of
Meissner–Ochsenfeld effect)
54.
Fijałkowski K, Grochala W
Substantial Emission of NH3 During Thermal
Decomposition of NaNH2BH3
J MATER CHEM 19(14): 2043-2050 2009
(invited paper, in memoriam H. I. Schlesinger)
53.
Grochala
W
On Chemical Bonding Between Helium and
Oxygen
POL J CHEM 83(1): 87-122 2009
(dedicated to G. Chalasinski, 60th birthday) see
also “Noble – not noble” and UW_quaternary
52.
Malinowski P, Mazej Z, Grochala W
Probing Reactivity of the Potent AgF2 Oxidizer. Part 2:
Inorganic Compounds
Z ANORG ALLG CHEM 634(14): 2608-2616 2008
(dedicated to Z. Galus, 75th birthday)
51.
Grzybowska D, Malinowski P, Mazej Z, Grochala W
Probing Reactivity of the Potent AgF2 Oxidizer. Part 1:
Organic Compounds
COLL CZECH CHEM COMMUN 73(12): 1729-1746 2008
(dedicated to O. Paleta, 70th birthday)
50.
Fijalkowski K, Grochala W
The “Magic: Electronic State of High-TC Superconductors
DALTON TRANS (40): 5447-5453 2008 (dedicated
to C. N. R. Rao) see also “Charismatic
chemistry”
49.
Grochala
W
Ligation of Aza Bases to the AgF2 molecule: A
Theoretical Study
J MOL MODEL 14 (10): 887-890 2008
(in memoriam W. Ochmanski)
48.
Kurzydlowski D, Grochala W
Xenon as a Mediator of Chemical
Reactions? Case of Scarce Gold Monofluoride, AuF, and Its Adduct With Xenon
Z ANORG ALLG CHEM 634(5): 1082-1086 2008 (dedicated
to K. Seppelt)
47.
Kurzydlowski D, Grochala W
Elusive AuF in the Solid State As
Accessed via High Pressure Comproportionation
CHEM COMMUN (9): 1073-1075 2008
(dedicated to P. A. Schwerdtfeger)
see also UW_quarternary
46.
Grochala
W
Beyond Fluorides: Extension of
Chemistry of Divalent Silver to Oxo Ligands
INORG CHEM COMMUN 11(2): 155-158 2008
(dedicated to R. Hoppe and B. G. Müller, commemorating 1957)
45.
Jaron T, Grochala W
Prediction of Giant Antiferromagnetic
Coupling in Exotic Fluorides of AgII
PHYS STAT SOL RRL 2(2): 71-73 2008
(dedicated to A. Simon) see also cover
44.
Grochala
W
Greedy Ag2+ Oxidizer: Can Any
Inorganic Ligand Except Fluoride Endure Its Presence in Simple Ionic Solids?
J FLUOR CHEM 129(2): 82-90 2008
(dedicated to N. Bartlett, commemorating 1962)
43.
Grochala
W
Atypical compounds of gases, which have
been called ‘noble’
CHEM SOC REV 36(10): 1632-1655 2007
(dedicated to R. Hoffmann) HOT PAPER! See also cover
42.
Maj L, Grochala W
Unprecedented Flexibility of the
>Ti=Si< Group for the Addition of H2
PHYS CHEM CHEM PHYS (invited paper,
Alternative Fuel Technologies issue) (9): 2706-2712 2007
41.
Grochala
W
Orbital Landscapes for Reductive
2e– Activation of Dihydrogen
J MOLEC MODEL (MDMM 2006 Proceedings) 13(6-7):
757-767 2007 see also “2 chances in a 100” (in Polish)
40.
Jaron T, Grochala W, Hoffmann R
Towards Superconductivity in Hydrides:
Computational Studies of Two Hypotehtic Ternary Compounds, YbIIBeH4 and Cs3YbIIIH6
J MOLEC MODEL (MDMM 2006 Proceedings) 13(6-7): 769-774
2007
39.
Grochala
W
Stabilization of WVI in Nitride
Environment via Acid/Base Reactions, and General Route to Layered Transition
Metal Nitrides
POL J CHEM 81(5-6): 613-620 2007
invited paper, special issue dedicated to T. M. Krygowski
38.
Grochala
W,
Feng J, Hoffmann R, Ashcroft NW
The Chemical Imagination at Work
in Very Tight Places
ANGEW CHEM INT ED ENGL 46(20): 3620-3642
2007 HOT PAPER!
37.
Romiszewski J, Stolarczyk L, Grochala W
Pressure–induced transformations
of AgF2 – towards an ‘infinite layer’ d9 material
J PHYS COND MATTER 19(12): 116206-1 to
116206-13 2007
36.
Grochala
W
Is a Non–Transition Element Nitride
Ferromagnet Ever Achievable? Indication of the N–N Pairing Instability
CZECH COLL CHEM COMMUN 71(11): 1525-1531 2006
(accelerated communication)
35.
Martinez-Canales M, Bergara A, Feng J and Grochala W
Pressure Induced Metallization of
Germane
J PHYS CHEM SOLIDS (SMEC 2005
Proceedings) 67(9-10): 2095-2099 2006
34.
Maj L, Grochala W
Design of Catalysts for
Heterolytic Split of H2
ADV FUNCT MATER 16(16): 2061-2076 2006
see also ‘Hydrogen Dream’ (in Polish)
33.
Grochala
W
Similarities and differences in
electronic structure between Cu(II)/O2– and Ag(II)/F1– infinite layer
compounds
SCRIPTA MATER 55(9): 811-814 2006
32.
Grochala
W
Plasticity of the coordination sphere
of Ag2+
PHYS STAT SOL B 243(11): R81-R83 2006
31.
Grochala
W
Small changes, big
consequences
NATURE MATER 5(7): 513-514 2006
(News & Views comment to S. E. McLain et al., Nature
Mater. 5(7): 561-566 2006)
30.
Jaroń T, Grochala W, Hoffmann R
Prediction of Thermodynamic Stability
and Electronic Structure of Novel Ternary Lanthanide Hydrides
J MATER CHEM 16(12): 1154-1160 2006
and Supplementary
Material HOT PAPER!
29.
Grochala
W
Remarks on Catalytic Reduction of
CO2, H+ and H2 by Monovalent Ni
PHYS CHEM CHEM PHYS 8(11):
1340-1345 2006 and Supplementary
Material, see also inside_cover
28.
Feng J, Grochala W, Jaroń T, Hoffmann R, Bergara A, Ashcroft NW
Prediction of Superconductivity in SiH4 at High Pressure –
En Route to ‘Metallic Hydrogen’
PHYS REV LETT 96(1): 017006 2006
and Supplementary Material, see also research_highlite
27.
Edwards PP, Grochala W, Johnson SR, Kuznetsov V, Jones MO
Chemical control of the thermal
decomposition temperature of multinary hydrides and complex hydrides
ACS Division of Fuel Chemistry,
Preprints 50(2): 505-506 2005
26.
Grochala
W,
Edwards PP
Chemical Tuning of the Thermal
Decomposition Temperature of Inorganic Hydrides: Computational Aspects.
J ALLOY COMP 404-406: 31-34 2005
and Supplementary Material
25.
Sokolowski A, Grochala W
Towards a tunable molecular memory
which fits into a (10 Å)3 cube.
J MOL MODEL 11(4-5): 278-287 2005
24.
Grochala
W
Superconductivity: Small Steps Towards
the “Grand Unification”.
J MOL MODEL 11(4-5): 323-329 2005
23.
Grochala
W
Thermal Decomposition of Chemical
Hydrides.
POL J CHEM, 79(6): 1087-1092 2005
22.
Grochala
W
Theoretical Quest for the
Titanium–Substituted Hydrocarbons
CHEM COMMUN, (18) 2330-2332 2005
21.
Jaroń T, Grochala W, Hoffmann R
How do electrons travel in unusual
metallic fluorides of Ag2+?
PHYS STAT SOL B, 242(1): R1-R3 2005
20.
Grochala
W,
Edwards PP
Hydrides of The Chemical Elements for
The Storage and Production of Hydrogen
CHEM REV 104(3): 1283-1315 2004
see also hydrogen_car (in Polish)
and environmental_IKEA (in
Polish)
19.
Grochala
W,
Porch A, Edwards PP
Meissner–Ochsenfeld
Superconducting Anomalies in the Be–Ag–F System
SOLID STATE COMMUN, 130(1):
137-142 2004 see also www.superconductors.org/64K.htm
18.
Grochala
W,
Edwards PP
"Unconventional Covalent"
KAgF3 Is Metallic Above 50 K
PHYS STAT SOL B 240 (3): R11-R14 2003
17.
Grochala
W
Following the link of the least
resistance
ANGEW CHEM INT ED ENGL 42 (15):
1682-1682 2003
16.
Grochala
W,
Egdell RG, Edwards PP, Mazej Z and Zemva B
On the covalency of the Ag–F bonds in
compounds of AgI, AgII and AgIII,
CHEMPHYSCHEM 4(9): 997-1001 2003
15.
Grochala
W,
Hoffmann R, Edwards PP
Chemistry of vibronic coupling. Part 5.
Vibronic Coupling in Molecules and in Solids
CHEM EUR J 9 (2): 575-587 2003
14.
Grochala
W,
Hoffmann R
Chemistry of Vibronic Coupling, in:
Vibronic Interactions: Jahn-Teller Effect in Crystals and Molecules (Proc.of
the NATO Advanced Research Workshop on
Colossal Magnetoresistance and Vibronic
Interactions and the XVth International Jahn-Teller Symposium on Vibronic
Interactions in Crystals and Molecules,
Boston August 16-22, 2000), Ed. by
Michael D. Kaplan & George O. Zimmerman, NATO SCIENCE SERIES: II:
Mathematics, Physics and Chemistry,
Volume 39, Kluwer Academic Publishers,
Dordrecht 2001.
13.
Grochala
W,
Hoffmann R
Chemistry of vibronic coupling. Part 4.
Off-Diagonal Vibronic Coupling Constants across the Periodic Table
POL J CHEM 75 (11): 1603-1659 2001
12.
Grochala
W,
Hoffmann R
Real and Hypothetical
Intermediate-Valence Fluoride AgII/AgIII and AgII/AgI Systems as Potential
Superconductors
ANGEW CHEM INT ED ENGL 40 (15):
2742-2781 2001 see also Hi-o-silver.doc HOT PAPER!
11.
Grochala
W,
Konecny R, Hoffmann R
Chemistry of vibronic coupling.
Part 1. How to maximize vibronic coupling constants in a diabatic harmonic
potential model?
CHEM PHYS 265 (2): 153-163 2001
10.
Grochala
W,
Jagielska A, Wozniak K, Bilewicz R, Korybut-Daszkiewicz B, Bukowska J, Piela L
Neutral Ni(II) and Cu(II)
complexes of tetraazatetraenemacrocyles
J PHYS ORG CHEM 14 (2): 63-73 2001
9. Grochala W, Hoffmann R
Chemistry of vibronic coupling. Part 2. How
to maximize the dynamic diagonal vibronic coupling constant for T1 states in AB systems
(A, B=H, Li, Na, K, Rb, Cs, F, Cl, Br or I)?
NEW J CHEM 25 (1): 108-115 2001
8. Grochala W, Hoffmann R
Chemistry of vibronic coupling. 3. How one
might maximize off-diagonal dynamic vibronic coupling constants for
intervalence charge-transfer (IVCT) states in an ABA system (A, B = alkali
metal, H, halogen)?
J PHYS CHEM A 104 (43): 9740-9749 2000
7. Grochala W, Albrecht AC, Hoffmann
R
Remarkably simple relationship connecting the
calculated geometries of isomolecular states of three different multiplicities
J PHYS CHEM A 104 (11): 2195-2203 2000
see also GAH rule.pdf
and GAH_rule_extension.pdf
1997–1999
6.
Kudelski A, Bukowska J, Dolata M, Grochala W, Szummer A,
Janik-Czachor M
Surface-enhanced Raman scattering (SERS) on
modified amorphous Cu-Zr alloys
MAT SCI ENG A-STRUCT 267 (2): 235-239 1999
5. Grochala W, Bukowska J
Study of the Ag+ surface complexes of
murexide by SERS and SERRS spectra at Ag electrodes
VIB SPECTROSC 17 (2): 145-154 1998
4. Grochala W, Kudelski A,
Bukowska J
Anion-induced charge-transfer enhancement in
SEES and SERRS spectra of rhodamine 6G on a silver electrode: How important is
it?
J RAMAN SPECTROSC 29 (8): 681-685 1998
3.
Kudelski A, Grochala W, Janik-Czachor M, Bukowska J, Szummer A,
Dolata M
Surface-enhanced Raman scattering (SERS) at
copper(I) oxide
J RAMAN SPECTROSC 29 (5): 431-435 1998
2.
Kudelski A, Bukowska J, Janik-Czachor M, Grochala W, Szummer A, Dolata M
Characterization of the copper surface
optimized for use as a substrate for surface-enhanced Raman scattering
VIB SPECTROSC 16 (1): 21-29 1998
1.
Widera J, Grochala W, Jackowska K, Bukowska J
Electrooxidation of o-methoxyaniline as
studied by electrochemical and SERS methods
SYNTHETIC MET 89 (1): 29-37 1997