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Results of search for 'au:"Barborini, Matteo"'
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Barborini, Matteo
Chernomor, Olga
Chu, Shibing
Coccia, Emanuele
Corni, Stefano
Guidoni, Leonardo
Molinari, Elisa
Rontani, Massimo
Sangalli, Davide
Sorella, Sandro
Varsano, Daniele
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Monte Carlo Method
Particle Size
Polyynes
Quantum Theory
chemistry
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Your search returned 13 results.
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1.
Neutral, Anionic, and Cationic Manganese Dimers through Density Functional Theory.
[electronic resource]
by
Barborini, Matteo
Producer:
20160803
In:
The journal of physical chemistry. A
vol. 120
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2.
Investigating Disjoint Non-Kekulé Diradicals with Quantum Monte Carlo: The Tetramethyleneethane Molecule through the Jastrow Antisymmetrized Geminal Power Wave Function.
[electronic resource]
by
Barborini, Matteo
Coccia, Emanuele
Producer:
20160316
In:
Journal of chemical theory and computation
vol. 11
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3.
Ground State Geometries of Polyacetylene Chains from Many-Particle Quantum Mechanics.
[electronic resource]
by
Barborini, Matteo
Guidoni, Leonardo
Producer:
20160620
In:
Journal of chemical theory and computation
vol. 11
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4.
π-Conjugation in trans-1,3-butadiene: static and dynamical electronic correlations described through quantum Monte Carlo.
[electronic resource]
by
Barborini, Matteo
Guidoni, Leonardo
Producer:
20160310
In:
Journal of chemical theory and computation
vol. 11
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5.
Reaction pathways by quantum Monte Carlo: insight on the torsion barrier of 1,3-butadiene, and the conrotatory ring opening of cyclobutene.
[electronic resource]
by
Barborini, Matteo
Guidoni, Leonardo
Producer:
20130305
In:
The Journal of chemical physics
vol. 137
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6.
Geometries of low spin states of multi-centre transition metal complexes through extended broken symmetry variational Monte Carlo.
[electronic resource]
by
Barborini, Matteo
Guidoni, Leonardo
Producer:
20170425
In:
The Journal of chemical physics
vol. 145
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7.
Kohn-Sham orbitals and potentials from quantum Monte Carlo molecular densities.
[electronic resource]
by
Varsano, Daniele
Barborini, Matteo
Guidoni, Leonardo
Producer:
20141021
In:
The Journal of chemical physics
vol. 140
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8.
Structural Optimization by Quantum Monte Carlo: Investigating the Low-Lying Excited States of Ethylene.
[electronic resource]
by
Barborini, Matteo
Sorella, Sandro
Guidoni, Leonardo
Publication details:
Journal of chemical theory and computation
Apr 2012
In:
Journal of chemical theory and computation
vol. 8
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9.
Angle-resolved photoemission spectroscopy from first-principles quantum Monte Carlo.
[electronic resource]
by
Barborini, Matteo
Sorella, Sandro
Rontani, Massimo
Corni, Stefano
Producer:
20181023
In:
The Journal of chemical physics
vol. 149
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10.
Correlation Effects in Scanning Tunneling Microscopy Images of Molecules Revealed by Quantum Monte Carlo.
[electronic resource]
by
Barborini, Matteo
Sorella, Sandro
Rontani, Massimo
Corni, Stefano
Producer:
20180130
In:
Journal of chemical theory and computation
vol. 12
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11.
Role of Electron Correlation along the Water Splitting Reaction.
[electronic resource]
by
Chu, Shibing
Coccia, Emanuele
Barborini, Matteo
Guidoni, Leonardo
Producer:
20180129
In:
Journal of chemical theory and computation
vol. 12
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12.
Molecular Electrical Properties from Quantum Monte Carlo Calculations: Application to Ethyne.
[electronic resource]
by
Coccia, Emanuele
Chernomor, Olga
Barborini, Matteo
Sorella, Sandro
Guidoni, Leonardo
Producer:
20151124
In:
Journal of chemical theory and computation
vol. 8
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13.
Carbon nanotubes as excitonic insulators.
[electronic resource]
by
Varsano, Daniele
Sorella, Sandro
Sangalli, Davide
Barborini, Matteo
Corni, Stefano
Molinari, Elisa
Rontani, Massimo
Producer:
20180827
In:
Nature communications
vol. 8
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