Barbara Montanari
机构: STFC Rutherford Appleton Laboratory, UK
每年引用次数
引用次数
引用: 3,058
H-指数: 24
I10-指数 : 33
出版物: 45
Hybrid density functional study of organic magnetic crystals: bi-metallic CrIII cyanides and rhombohedral C60
J. A. Chan , B. Montanari * , W. L. Chan , N. M. Harrison
Molecular Physics 103 ( 18) 2573 -2585
11
2005
Ab-inito investigation of Graphane
N Virk , B Montarani , NM Harrison
NSTI-Nanotech. 1 296 -299
3
2010
Density functional study of the electronic and vibrational properties of TiOCl
L. Pisani , R. Valentí , B. Montanari , N. M. Harrison
Physical Review B 76 ( 23) 235126
12
2007
Catalytic Reactions of Living Polymers: Density Functional Study of Reactivity of Phenol and Phenoxides with the Cyclic Tetramer of Polycarbonate
P. Ballone , B. Montanari , R. O. Jones
Journal of Physical Chemistry A 104 ( 12) 2793 -2798
8
2000
Density functional study of carbonic acid clusters
P. Ballone , B. Montanari , R. O. Jones
Journal of Chemical Physics 112 ( 15) 6571 -6575
24
2000
Magnetic properties of polymerized C 60 : The influence of defects and hydrogen
J. A. Chan , B. Montanari , J. D. Gale , S. M. Bennington
Physical Review B 70 ( 4) 041403
63
2004
DENSITY FUNCTIONAL STUDY OF CRYSTALLINE POLYETHYLENE
B. Montanari , R.O. Jones
Chemical Physics Letters 272 ( 5) 347 -352
35
1997
Influence of the exchange-correlation functional in all-electron calculations of the vibrational frequencies of corundum (α-Al2O3)
B. Montanari , B. Civalleri , C. M. Zicovich-Wilson , R. Dovesi
International Journal of Quantum Chemistry 106 ( 7) 1703 -1714
83
2006
Path-integral study of a two-dimensional Lennard-Jones glass
P. Ballone , B. Montanari
Physical Review E 65 ( 6) 066704
1
2002
Electronic structure and magnetic properties of graphitic ribbons
L. Pisani , J. A. Chan , B. Montanari , N. M. Harrison
Physical Review B 75 ( 6) 064418
548
2007
The group III–V's semiconductor energy gaps predicted using the B3LYP hybrid functional
S. Tomić , B. Montanari , N.M. Harrison
Physica E-low-dimensional Systems & Nanostructures 40 ( 6) 2125 -2127
161
2008
Exploring the Temperature Dependent Solid-State ALC Spectrum of the C 6 H 6 Mu ∙ Radical with Ab-Initio Simulation Techniques
S. Sturniolo , L. Liborio , F. L. Pratt , S. P. Cottrell
Proceedings of the 14th International Conference on Muon Spin Rotation, Relaxation and Resonance (μSR2017) 011036
2
2018
Revisiting the Surface Structure of TiO 2 ( 110 ) : A Quantitative low-Energy Electron Diffraction Study
R. Lindsay , A. Wander , A. Ernst , B. Montanari
Physical Review Letters 94 ( 24) 246102
136
2005
Erratum: Magnetic properties of polymerized C 60 : The influence of defects and hydrogen [ Phys. Rev. B 70, 041403(R) (2004)]
J. A. Chan , B. Montanari , J. D. Gale , S. M. Bennington
Physical Review B 71 ( 4) 049901
5
2005
Density functional study of polypropylene and its submolecules
A. Borrmann , B. Montanari , R. O. Jones
Journal of Chemical Physics 106 ( 20) 8545 -8551
14
1997
Density Functional Study of Polycarbonate. 2. Crystalline Analogs, Cyclic Oligomers, and Their Fragments
B. Montanari , P. Ballone , R. O. Jones
Macromolecules 32 ( 10) 3396 -3404
19
1999
Stability of the ferromagnetic state in a mixed sp(2)-sp(3) carbon system
L. Pisani , B. Montanari , N. M. Harrison
Physical Review B 80 ( 10) 104415
8
2009
Density functional study of molecular crystals: Polyethylene and a crystalline analog of bisphenol-A polycarbonate
B. Montanari , P. Ballone , R. O. Jones
Journal of Chemical Physics 108 ( 16) 6947 -6951
31
1998
Polycarbonate simulations with a density functional based force field
P. Ballone , B. Montanari , R. O. Jones , O. Hahn
Journal of Physical Chemistry A 103 ( 27) 5387 -5398
14
1999
Density Functional Study of Crystalline Analogs of Polycarbonates
B. Montanari , P. Ballone , R. O. Jones
Macromolecules 31 ( 22) 7784 -7790
11
1998