1994
-
Dong Sheng Yang, Andrew M. James, David M. Rayner, and Peter A. Hackett:
Pulsed field ionization zero kinetic energy photoelectron spectroscopy of small vanadium clusters. Using velocity slip as a mass selector,
Chem. Phys. Lett.
231(2-3),
177-182,
December 1994.
1995
-
Dong Sheng Yang, Andrew M. James, David M. Rayner, and Peter A. Hackett:
Pulsed field ionization zero kinetic energy photoelectron spectroscopy of the vanadium dimer molecule,
J. Chem. Phys.
102(8),
3129-3134,
February 1995.
-
Dong-Sheng Yang, Marek Z. Zgierski, David M. Rayner, Peter A. Hackett, Ana Martinez, Dennis R. Salahub, Pierre-Nicholas Roy, and Tucker Carrington, Jr.:
The structure of Nb3O and Nb3O+ determined by pulsed field ionization-zero electron kinetic energy photoelelectron spectroscopy and density functional theory,
J. Chem. Phys.
103(13),
5335-5342,
October 1995.
1996
-
D. W. McComb, B. A. Collings, R. A. Wolkow, D. J. Moffatt, C. D. MacPherson, D. M. Rayner, P. A. Hackett, and J. E. Hulse:
An atom-resolved view of silicon nanoclusters,
Chem. Phys. Lett.
251(1-2),
8-12,
March 1996.
1997
-
Jason E. Hearn and Roy L. Johnston:
Modeling calcium and strontium clusters with many-body potentials,
J. Chem. Phys.
107(12),
4674-4687,
September 1997.
1998
-
Lesley D. Lloyd and Roy L. Johnston:
Modelling aluminium clusters with an empirical many-body potential,
Chem. Phys.
236(1-3),
107-121,
September 1998.
-
Fedor Y. Naumkin and David J. Wales:
Influence of the atom-atom interaction anisotropy on the structure and stability of ArnCl2 clusters,
Chem. Phys. Lett.
290(1-3),
164-170,
June 1998.
-
Yibing Li, Estela Blaisten-Barojas, and D. A. Papaconstantopoulos:
Structure and dynamics of alkali-metal clusters and fission of highly charged clusters,
Phys. Rev. B
57(24),
15519-15532,
June 1998.
-
F. Spiegelmann, R. Poteau, B. Montag, and P.-G. Reinhard:
Global structure of small Na clusters in different approaches,
Phys. Lett. A
242(3),
163-168,
May 1998.
1999
-
Nicos L. Doltsinis, Peter J. Knowles, and Fedor Y. Naumkin:
Induced dipole-induced dipole interactions in Arn+ clusters,
Mol. Phys.
96(5),
749-755,
March 1999.
-
S. Krückeberg, G. Dietrich, K. Lützenkirchen, L. Schweikhard, C. Walther, and J. Ziegler:
Observation of electronic and geometric shell structures of small silver clusters,
Eur. Phys. J. D
9(1-4),
169-172,
December 1999.
-
F. Y. Naumkin and D. J. Wales:
Rydberg excitations in rare gas clusters: structure and electronic spectra of Arn* (3≤n≤25),
Mol. Phys.
96(9),
1295-1304,
May 1999.
2000
-
Lesley D. Lloyd and Roy L. Johnston:
Theoretical analysis of 17-19-atom metal clusters using many-body potentials,
J. Chem. Soc., Dalton Trans.
(3),
307-316,
2000.
-
F. Y. Naumkin and D. J. Wales:
Molecule-doped rare gas clusters: structure and stability of ArnNO(X 2 Π1/2, 3/2), n≤25, from new ab initio potential energy surfaces of ArNO,
Mol. Phys.
98(4),
219-229,
February 2000.
-
Giles W. Turner, Roy L. Johnston, and Nicholas T. Wilson:
Investigation of geometric shell aluminum clusters using the Gupta many-body potential,
J. Chem. Phys.
112(10),
4773-4778,
March 2000.
-
N. T. Wilson and R. L. Johnston:
Modelling gold clusters with an empirical many-body potential,
Eur. Phys. J. D
12(1),
161-169,
2000.
2001
-
U. Even, I. Al-Hroub, and Joshua Jortner:
Small He clusters with aromatic molecules,
J. Chem. Phys.
115(5),
2069-2073,
August 2001.
-
René Fournier:
Theoretical study of the structure of silver clusters,
J. Chem. Phys.
115(5),
2165-2177,
August 2001.
-
Bernd Hartke, Heinz-Jürgen Flad, and Michael Dolg:
Structures of mercury clusters in a quantum-empirical hybrid model,
Phys. Chem. Chem. Phys.
3(23),
5121-5129,
November 2001.
-
S. C. Hendy and B. D. Hall:
Molecular-dynamics simulations of lead clusters,
Phys. Rev. B
64(8),
085425,
August 2001.
-
Pankaj K. Mandal and E. Arunan:
Hydrogen bond radii for the hydrogen halides and van der Waals radius of hydrogen,
J. Chem. Phys.
114(9),
3880-3882,
March 2001.
-
J. N. Murrell, F. Y. Naumkin, and C. R. Griffiths:
The structures and stabilities of mixed inert gas cluster ions:
NeHen+ and ArHen+,
Mol. Phys.
99(2),
115-132,
January 2001.
-
Jörg Opitz-Coutureau, André Fielicke, Bernhard Kaiser, and Klaus Rademann:
Antimony and bismuth oxide cluster ions,
Phys. Chem. Chem. Phys.
3(15),
3034-3041,
July 2001.
-
Christopher Roberts and Roy L. Johnston:
Investigation of the structures of MgO clusters using a genetic algorithm,
Phys. Chem. Chem. Phys.
3(22),
5024-5034,
November 2001.
-
Guan Ming Wang, Estela Blaisten-Barojas, A. E. Roitberg, and T. P. Martin:
Strontium clusters: Many-body potential, energetics, and structural transitions,
J. Chem. Phys.
115(8),
3640-3646,
August 2001.
2002
-
E. Arunan, T. Emilsson, and H. S. Gutowsky:
Rotational spectra, structures, and dynamics of small Arm-(H2O)n clusters: The Ar-(H2O)2 trimer,
J. Chem. Phys.
116(12),
4886-4895,
March 2002.
-
E. Arunan, T. Emilsson, H. S. Gutowsky, Gerald T. Fraser, G. de Oliveira, and C. E. Dykstra:
Rotational spectrum of the weakly bonded C6H6-H2S dimer and comaprisons to C6H6-H2O dimer,
J. Chem. Phys.
117(21),
9766-9776,
December 2002.
-
K. R. Asmis, M. Brümmer, C. Kaposta, G. Santambrogio, G. von Helden, G. Meijer, K. Rademann, and L. Wöste:
Mass-selected infrared photodissociation spectroscopy of V4O10+,
Phys. Chem. Chem. Phys.
4(7),
1101-1104,
March 2002.
-
Charlotte A. Corbett, Todd J. Martínez, and James M. Lisy:
Solvation of the Fluoride Anion by Methanol,
J. Phys. Chem. A
106(42),
10015-10021,
2002.
-
Sarah Darby, Thomas V. Mortimer-Jones, Roy L. Johnston, and Christopher Roberts:
Theoretical study of Cu-Au nanoalloy clusters using a genetic algorithm,
J. Chem. Phys.
116(4),
1536-1550,
January 2002.
-
Freddy F. Guimarães, Jadson C. Belchior, Roy L. Johnston, and Christopher Roberts:
Global optimization analysis of water clusters (H2O)n (11≤n≤13) through a genetic evolutionary approach,
J. Chem. Phys.
116(19),
8327-8333,
May 2002.
-
Deniz van Heijnsbergen, André Fielicke, Gerard Meijer, and Gert von Helden:
Structure Determination of Gas-Phase Niobium and Tantalum Carbide Nanocrystals via Infrared Spectroscopy,
Phys. Rev. Lett.
89(1),
013401,
July 2002.
-
Claire Massen, Thomas V. Mortimer-Jones, and Roy L. Johnston:
Geometries and segregation properties of platinum-palladium nanoalloy clusters,
J. Chem. Soc., Dalton Trans.
(23),
4375-4388,
2002.
-
Franziska Schulz and Bernd Hartke:
Dodecahedral Clathrate Structures and Magic Numbers in Alkali Cation Microhydration Clusters,
ChemPhysChem
3(1),
98-106,
January 2002.
-
Benoit Simard, Stéphane Dénommée, David M. Rayner, Deniz van Heijnsbergen, Gerard Meijer, and Gert von Helden:
IR multiphoton depletion spectroscopy of metal cluster-ligand complexes,
Chem. Phys. Lett.
357(3-4),
195-203,
May 2002.
-
Izabela Szydłowska, Grzegorz Myszkiewicz, and W. Leo Meerts:
Structure of tetracene-argon and tetracene-krypton complexes from high resolution laser experiments at 450 nm,
Chem. Phys.
283(1-2),
371-377,
October 2002.
-
Timothy D. Vaden, Brian Forinash, and James M. Lisy:
Rotational structure in the asymmetric OH Stretch of Cs+(H2O)Ar,
J. Chem. Phys.
117(10),
4628-4631,
September 2002.
-
Nicholas T. Wilson and Roy L. Johnston:
A theoretical study of atom ordering in copper-gold nanoalloy clusters,
J. Materials Chem.
12(10),
2913-2922,
October 2002.
-
Nicholas T. Wilson and Roy L. Johnston:
Passivated clusters: a theoretical investigation of the effect of surface ligation on cluster geometry,
Phys. Chem. Chem. Phys.
4(17),
4168-4171,
2002.
2003
-
Mohammed Bahou, K. Sankaran, Yu-Jong Wu, Yuan-Pern Lee, David Rayner, and Benoit Simard:
Isomers of Ge2N2: Production and infrared absorption of GeNNGe in solid N2,
J. Chem. Phys.
118(21),
9710-9718,
June 2003.
-
Jonathan P. K. Doye:
A model metal potential exhibiting polytetrahedral clusters,
J. Chem. Phys.
119(2),
1136-1147,
2003.
-
André Fielicke, Gerard Meijer, and Gert von Helden:
Infrared Spectroscopy of Niobium Oxide Cluster Cations in a Molecular Beam: Identifying the Cluster Structures,
J. Am. Chem. Soc.
125(12),
3659-3667,
March 2003.
-
A. Fielicke, G. Meijer, and G. von Helden:
Infrared multiple photon dissociation spectroscopy of transition metal oxide cluster cations: Comparison of group Vb (V, Nb, Ta) oxide clusters,
Eur. Phys. J. D
24(1-3),
69-72,
June 2003.
-
André Fielicke, Roland Mitric, Gerard Meijer, Vlasta Bonacic-Koutecký, and Gert von Helden:
The Structures of Vanadium Oxide Cluster-Ethene Complexes. A Combined IR Multiple Photon Dissociation Spectroscopy and DFT Calculation Study,
J. Am. Chem. Soc.
125(51),
15716-15717,
December 2003.
-
Bernd Hartke:
Size-dependent transition from all-surface to interior-molecule structures in pure neutral water clusters,
Phys. Chem. Chem. Phys.
5(2),
275-284,
2003.
-
Pekka Pyykkö, Michael Patzschke, and Jaak Suurpere:
Calculated structures of [Au=C=Au]2+ and related systems,
Chem. Phys. Lett.
381(1-2),
45-52,
November 2003.
2004
-
Tunna Baruah, Rajendra R. Zope, and Mark R. Pederson:
Molecular structures and vibrations of neutral and anionic Cu0x (x=1-3,6) clusters,
Phys. Rev. A
69(2),
023201,
February 2004.
-
M. Goswami, P. K. Mandal, D. J. Ramdass, and E. Arunan:
Rotational spectra and structure of the floppy C2H4 complex: bridging hydrogen bonding and van der Waals interactions,
Chem. Phys. Lett.
393(1-3),
22-27,
July 2004.
-
Naba K. Karan and E. Arunan:
Chlorine bond distances in ClF and Cl2 complexes,
J. Mol. Structure
688(1-3),
203-205,
January 2004.
-
M. Vogel, K. Hansen, and L. Schweikhard:
Signature of cluster isomers in time-resolved photodissociation experiments,
Int. J. Mass Spectrom.
233(1-3),
117-123,
April 2004.
2005
-
Pankaj K. Mandal, Mausumi Goswami, and E. Arunan:
Pulsed nozzle Fourier transform microwave spectroscopic and ab initio investigations on the weakly bound Ar-(H2S)2 trimer.,
J. Indian Inst. Sci
85(6),
353-365,
November 2005.
-
Pankaj K. Mandal, Dharmendar J. Ramdass, and E. Arunan:
Rotational spectra and structure of the Ar2-(H2S) complex: pulsed nozzle Fourier transform microwave spectroscopic and ab initio studies,
Phys. Chem. Chem. Phys.
7(14),
2740-2746,
2005.
-
Yan Sun and René Fournier:
Density Functional Study of Beryllium Clusters,
Comp. Lett.
1(4),
210-219,
2005.
2006
-
D. Harding, S. R. Mackenzie, and T. R. Walsh:
Structural Isomers and Reactivity for Rh6 and Rh6+,
J. Phys. Chem. B
110(37),
18272-18277,
September 2006.
-
F. Naumkin:
C5Au12 - a gold-plated diamond at molecular level,
Phys. Chem. Chem. Phys.
8(21),
2539-2545,
2006.
-
Sandeep Nigam, Chiranjib Majumder, and S. K. Kulshreshtha:
Ab-initio molecular orbital theory of hydrogenation of LiAl and Li2Al2: The magic clusters (LiAlH4) and (LiAlH4)2,
Phys. Rev. B
73(11),
115424,
March 2006.
-
Sandeep Nigam, Chiranjib Majumder, and S. K. Kulshreshtha:
Theoretical Study of Sin, Sin-, and PSin-1 clusters (2≤n≤13): Theoretical investigation based on ab initio molecular orbital theory,
J. Chem. Phys.
125(7),
074303,
August 2006.
-
B. Raghavendra, Pankaj K. Mandal, and E. Arunan:
Ab initio and AIM theoretical analysis of hydrogen-bond radius of HD (D=F, Cl, Br, CN, HO, HS and CCH) donors and some acceptors,
Phys. Chem. Chem. Phys.
8(45),
5276-5286,
2006.
-
Min Zhang and René Fournier:
Structure of 55-atom bimetallic clusters,
J. Mol. Structure: THEOCHEM
762(1-3),
49-56,
April 2006.
2007
-
René Fournier:
Trends in Energies and Geometric Structures of Neutral and Charged Aluminum Clusters,
J. Chem. Theory Comput.
3(3),
921-929,
2007.
-
Anil K. Kandalam, Boggavarapu Kiran, Puru Jena, Xiang Li, Andrej Grubisic, and Kit H. Bowen:
Ground state structures and photoelectron spectroscopy of [Com(coronene)]- complexes,
J. Chem. Phys.
126(8),
084306,
February 2007.
-
Fedor Y. Naumkin:
Doping-induced structure and property variations in alkali-cluster halides: Li13F & Li13F2,
J. Comp. Methods Sci. Eng.
7(5-6),
463-474,
2007.
-
Lauro Oliver Paz-Borbón, Roy L. Johnston, Giovanni Barcaro, and Alessandro Fortunelli:
A Mixed Structural Motif in 34-Atom Pd-Pt Clusters,
J. Phys. Chem. C
111(7),
2936-2941,
January 2007.
-
Yan Sun and René Fournier:
Geometric and electronic structure of closed-shell bimetallic A4B12 clusters,
Phys. Rev. A
75(6),
063205,
June 2007.
2008
-
Jessica Botticelli, René Fournier, and Min Zhang:
Zn7Cu6: a magic cluster of brass?,
Theor. Chem. Acc.
120(4-6),
583-589,
July 2008.
-
Z. Y. Li, N. P. Young, M. di Vece, S. Palomba, R. E. Palmer, A. L. Bleloch, B. C. Curley, R. L. Johnston, J. Jiang, and J. Yuan:
Three-dimensional atomic-scale structure of size-selected gold nanoclusters,
Nature
451(7174),
46-48,
January 2008.
-
Fedor Y. Naumkin:
Flat-structural Motives in Small Alumino-Carbon Clusters CnAlm (n=2-3, m=2-8),
J. Phys. Chem. A
112(20),
4660-4668,
May 2008.
-
Fedor Y. Naumkin:
Towards gold shells shaped by carbon cores: From a gold cage to a core-shell aurocarbon,
Chem. Phys. Lett.
466(1-3),
44-49,
November 2008.
-
Chinagandham Rajesh and Chiranjib Majumder:
Structure and electronic properties of PbnM (M=C, Al, In, Mg, Sr, Ba, and Pb; n=8, 10, 12, and 14) clusters: Theoretical investigations based on first principles calculations,
J. Chem. Phys.
128(2),
024308,
January 2008.
-
Yan Sun, Min Zhang, and René Fournier:
Periodic trends in the geometric structures of 13-atom metal clusters,
Phys. Rev. B
77(7),
075435,
February 2008.
2009
-
René Fournier, Shaima Zamiruddin, and Min Zhang:
Competition between mixing and segregation in bimetallic AgnRbn clusters (n=2-10),
Can. J. Chem.
87(7),
1013-1021,
July 2009.
-
Mausumi Goswami and E. Arunan:
The hydrogen bond: a molecular beam microwave spectroscopist's view with a universal appeal,
Phys. Chem. Chem. Phys.
11(40),
8974-8983,
2009.
-
Phillip McNelles and Fedor Y. Naumkin:
A small molecule in metal cluster cages: H2@Mgn (n=8 to 10),
Phys. Chem. Chem. Phys.
11,
2858-2861,
2009.
-
Yan Sun, René Fournier, and Min Zhang:
Structural and electronic properties of 13-atom 4d transition-metal clusters,
Phys. Rev. A
79(4),
043202,
April 2009.
-
Min Zhang and René Fournier:
Density-functional-theory study of 13-atom metal clusters M13, M=Ta-Pt,
Phys. Rev. A
79(4),
043203,
April 2009.
