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131) Fratini S, Ciuchi S, Mayou D, Trambly de Laissardiere G, Troisi A
A map of molecular semiconductors
NATURE MATER. 2017, DOI 10.1038/NMAT4970

130) Pirrotta A, Solomon GC, Franco I, Troisi A
Excitonic Coupling Modulated by Mechanical Stimuli
J. PHYS. CHEM. LETT. 8, 4326–4332, 2017

129) Fornari RP, Rowe P, Padula D, Troisi A
Importance and Nature of Short-Range Excitonic Interactions in Light Harvesting Complexes and Organic Semiconductors
J. CHEM. THEOR. COMPUT. 13, 3754-3763, 2017

128) Knee GC, Rowe P, Smith LD, Troisi A, Datta A
Structure-Dynamics Relation in Physically-Plausible Multi-Chromophore Systems
J. PHYS. CHEM. LETT. 118, 2328–2333, 2017

127) Ren XL, Bruzek MJ, Hanifi DA, Schulzetenberg A, Wu YF, Kim CH, Zhang ZR, Johns JE, Salleo A, Fratini S, Troisi A, Douglas CJ, Frisbie CD
Negative Isotope Effect on Field-Effect Hole Transport in Fully Substituted C-13-Rubrene
ADV. ELECTR. MATER. 3, 1700018, 2017

126) Fornari RP, Blom PWM, Troisi A
How many parameters actually affect the mobility of conjugated polymers?
PHYS. REV. LETT. 118, 086601, 2017

125) Lee MH, Troisi A
Vibronic enhancement of excitation energy transport:
interplay between local and non-local exciton-phonon interaction
J. CHEM. PHYS. 146, 075101, 2017

124) Kuzmich A, Padula D, Ma H, Troisi A
Trends in the electronic and geometric structure of non-fullerene based acceptors for organic solar cells
ENERGY & ENVIRON. SCI, 10, 395-401, 2017

123) Williams C, Dix J, Troisi A, Carbone P
Effective Polarization in Pair-Wise Potentials at the graphene-electrolyte Interface
J. PHYS. CHEM. LETT. 8, 703-708, 2017

122) Troisi A, Shaw A
Very Large Conjugation Despite Strong Nonplanarity: A Path for Designing New Semiconducting Polymers
J. PHYS. CHEM. LETT. 7 4689–4694, 2016

121) Zaki A, Troisi A, Carbone P
Unexpected Like-Charge Self-Assembly of a Biguanide-based Antimicrobial Polyelectrolyte
J. PHYS. CHEM. LETT. 7 3730–3735, 2016

120) Ip CM, Troisi A
Computational study of competing reaction mechanisms
of photo-catalytic reduction of CO2 on anatase(101)
PHYS. CHEM. CHEM. PHYS. 18, 25010-25021, 2016

119) Ip CM, Troisi A
Does the Donor-π-Acceptor Character of Dyes
Improve the Efficiency of Dye-Sensitized Solar Cells?
J. PHYS. CHEM. LETT. 7, 2989–2993, 2016

118) Lee MH, Troisi A
Quantum dynamics of a vibronically coupled linear chain
using a surrogate Hamiltonian approach
J. CHEM. PHYS. 144, 214106, 2016

117) Fornari R, Aragó J, Troisi A
Exciton Dynamics in Phthalocyanine Molecular Crystals
J. PHYS. CHEM. C 120, 7987–7996, 2016

116) Illig S, Eggeman A, Troisi A, Jiang L, Warwick C, Nikolka M, Schweicher G,
Yeates S, Geerts Y, Anthony J, Sirringhaus H
Reducing dynamic disorder in small-molecule organic semiconductors
by suppressing large amplitude thermal motions
NATURE COMM. 7, 10736, 2016

115) Blülle B, Troisi A, Häusermann R, Batlogg B
Charge transport perpendicular to the high mobility plane in organic
crystals: Bandlike character maintained despite hundredfold anisotropy
PHYS. REV. B 93, 035205, 2016

114) Aragó J, Troisi A
Regimes of Exciton Transport in Molecular Crystals
in the Presence of Dynamic Disorder
ADV. FUNCT. MATER. 26, 2316-2325, 2016

113) Martsinovich N, Maggio E, Troisi A
Continuum and atomistic description of excess electrons in TiO2
J PHYS.: COND. MATT. 7, 28, 2016

112) Do H, Troisi A
Developing accurate molecular mechanics force fields
for conjugated molecular systems
PHYS. CHEM. CHEM. PHYS. 17, 25123-25132, 2015

111) Lee MH, Aragó J, Troisi A
Charge Dynamics in Organic Photovoltaic Materials:
Interplay between Quantum Diffusion and Quantum Relaxation
J. PHYS. CHEM. C 119, 14989–14998, 2015

110) Fornari RP, Aragó J, Troisi A
A very general rate expression for charge hopping in semiconducting polymers
J. CHEM. PHYS. 142, 184105, 2015

109) Aragó J, Troisi A
Excitonic couplings between molecular crystal pairs by a multistate approximation
J. CHEM. PHYS. 142, 164107, 2015

108) Aragó J, Troisi A
Dynamics of the excitonic coupling in organic crystals
PHYS. REV. LETT. 114, 026402, 2015

107) Ambrosio F, Troisi A
Singlet fission in linear chains of molecules
J. CHEM. PHYS. 141, 204703, 2014

106) Ma H, Troisi A
Modulating the Exciton Dissociation Rate Up to More Than 2 Orders of Magnitude
by Controlling the Alignment of LUMO+1 in Organic Photovoltaics
J. PHYS. CHEM. C 118, 27272–27280, 2014

105) Fornari R, Troisi A
Narrower Bands with Better Charge Transport:
the Counterintuitive Behaviour of Semiconducting Co-Polymers
ADV. MATER. 26, 7627–7631, 2014

104) Ip CM, Eleuteri A, Troisi A
Predicting with confidence the efficiency of new dyes in dye sensitized solar cells
PHYS. CHEM. CHEM. PHYS. 16, 19106-19110, 2014

103) Carbone P, Troisi A
Charge Diffusion in Semiconducting Polymers: Analytical Relation
Between Polymer Rigidity and Time Scales for Intrachain and Interchain Hopping
J. PHYS. CHEM. LETT. 5, 2637-2641, 2014

102) Poelking C, Daoulas K, Troisi A, Andrienko, D
Morphology and Charge Transport in P3HT: A Theorist’s Perspective
ADV. POLYM. SCI. 265, 139-180, 2014

101) Ma H, Troisi A
Direct Optical Generation of Long-Range Charge-Transfer States in Organic Photovoltaics
ADV. MATER. 26, 6163-6167, 2014

100) Ma H, Qin T, Troisi A
Electronic Excited States in Amorphous MEH-PPV Polymers
from Large-Scale First Principles Calculations
J. CHEM. THEOR. COMPUT. 10, 1272–1282, 2014

99) Maggio E, Troisi A
An expression for bridge-mediated electron transfer rate in dye-sensitized solar cells
PHIL. TRANS. R. SOC. A 372, 20130011, 2014

98) Fornari RP, Troisi A
Theory of charge hopping along a disordered polymer chain
PHYS. CHEM. CHEM. PHYS. 16, 9997-10007, 2014

97) Musumeci C, Zappalà G, Martsinovich N, Orgiu E, Schuster S, Quici S,
Zharnikov M, Troisi A, Licciardello A, Samorì P
Nanoscale electrical investigation of layer-by-layer grown molecular wires
ADV. MATER. 26, 1688-1693, 2014

96) Maggio E, Solomon GC, Troisi A
Exploiting Quantum Interference in Dye Sensitised Solar Cells
ACS NANO 8, 409–418, 2014

95) Liu T, Troisi A
Understanding the microscopic origin of the very high charge mobility in PBTTT:
tolerance of thermal disorder
ADV. FUNCT. MATER. 24, 925–933, 2014

94) Vazquez H, Troisi A
Exciton dissociation into hot charge-transfer states in model organic photovoltaic interfaces
PHYS. REV. B 88, 205304, 2013

93) Maggio E, Troisi A
Theory of the charge recombination reaction at the semiconductor-adsorbate interface
in the presence of defects
J. PHYS. CHEM. C 117, 24196–24205, 2013

92) Eggeman AS, Illig S, Troisi A, Sirringhaus H, Midgley PA
Measurement of molecular motion in organic semiconductors by thermal diffuse electron scattering
NAT. MATER. 12,1045–1049, 2013

91) Qin T, Troisi A
Relation between structure and electronic properties of amorphous MEH-PPV polymers
J. AM. CHEM. SOC. 135, 11247–11256, 2013

90) Liu T, Troisi A
Theoretical Evidence of Multiple Dye Regeneration Mechanisms in Dye-Sensitized Solar Cells
CHEM. PHYS. LETT. 570, 159-162, 2013

89) Troisi A
How quasi-free holes and electrons are generated in organic photovoltaic interfaces
FARADAY DISC. 163, 377-392, 2013

88) Carvalho A, Martsinovich N, Vieira R, Troisi A
Charge Injection Rates in Hybrid Nanosilicon-Polythiophene Bulk Heterojunction Solar Cells
J. PHYS. CHEM. C 117, 110–115, 2013

87) Maggio E, Martsinovich N, Troisi A
Using Orbital Symmetry to Minimize Charge Recombination in Dye Sensitized Solar Cells
ANGEW. CHEM. INT. ED. ENG. 52, 973-975, 2013

86) Liu T, Troisi A
What makes fullerene acceptors special as electron acceptors in organic solar cells
and how to replace them
ADV. MATER. 25, 1038-1041, 2013

85) Martsinovich N, Ambrosio F, Troisi A
Adsorption and electron injection of the N3 metal-organic dye on the TiO2 rutile (110) surface
PHYS CHEM CHEM PHYS 14, 16668-16676, 2012

84) Martsinovich N, Troisi A
How TiO2 crystallographic surfaces influence charge injection rates
from a chemisorbed dye
PHYS CHEM CHEM PHYS 14, 13392, 2012

83) Caruso D, Troisi A
Long Range Exciton Dissociation in Organic Solar Cells
PROC. NATL. ACAD. SCI. USA 109, 13498, 2012

82) Maggio E, Martsinovich N, Troisi A
Theoretical Study of Charge Recombination at the TiO2-Electrolyte Interface
in Dye Sensitised Solar Cells
J CHEM PHYS 137, 22A508, 2012

81) Ambrosio F, Martsinovich N, Troisi A
What Is the Best Anchoring Group for a Dye in a Dye Sensitized Solar Cell?
J PHYS CHEM LETT 3, 1531-1531, 2012

80) Maggio E, Martsinovich N, Troisi A
Evaluating the Charge Recombination Rate in Dye-Sensitized Solar Cells
from Electronic Structure Calculations

J PHYS CHEM C 116, 7638-7649, 2012

79) Ambrosio F, Martsinovich N, Troisi A
Effect of the Anchoring Group on Electron Injection:
Theoretical Study of Phosphonated Dyes for Dye-Sensitized Solar Cells
J PHYS CHEM C 116, 2622-2629, 2012

78) Liu T, Cheung DL, Troisi A
Structural Variability and Dynamics of the P3HT/PCBM Interface
and Its Effects on the Electronic Structure and the Charge-Transfer Rates in Solar Cells

PHYS CHEM CHEM PHYS 13, 21461-21470, 2011

77) McMahon DP, Cheung DL, Troisi A
Why Holes and Electrons Separate so Well in Polymer:Fullerene Photovoltaic Cells
J PHYS CHEM LETT 2, 2737-2741, 2011

76) Troisi A
The speed limit for sequential charge hopping in molecular materials
ORGANIC ELECTRONICS 12, 1988-1991, 2011

75) McMahon DP, Cheung DL, Goris L, Dacuna J, Salleo A, Troisi A
Relation between Microstructure and Charge Transport in Polymers of Different Regioregularity
J PHYS CHEM C 115, 19386-19393, 2011

74) Martsinovich N, Troisi A
Theoretical Studies of Dye-Sensitised Solar Cells:
From Electronic Structure to Elementary Processes

ENERGY ENVIRON. SCI. 4, 4473-4495, 2011

73) Chang JF, Sakanoue T, Olivier Y, Uemura T, Durfoug-Madec MB, Yeates SG, Cornil J, Takeya J, Troisi A, Sirringhaus H
Hall effect measurements probing the degree of charge carrier delocalization
in solution processed, crystalline molecular semiconductors

PHYS REV LETT 107, 066601, 2011

72) Martsinovich N, Troisi A
High-throughput Computational Screening of Chromophores for Dye-Sensitized Solar Cells
J PHYS CHEM C 115, 11781-11792, 2011

71) McMahon DP, Troisi A
Persistence time of charge carriers in defect states of molecular semiconductors
PHYS CHEM CHEM PHYS 13, 10241-10248, 2011

70) Chmel N, Clarkson G, Troisi A, Turner S, Scott P
Chiral Semiconducting Phases: the Optically Pure D3[MIII(S,S-EDDS)]2 (D=TTF, TSF) Family
INORG CHEM 50, 4039-4046, 2011

69) Troisi A
Charge transport in high mobility molecular semiconductors: classical models and new theories
CHEM SOC REV 40, 2347-2358, 2011

68) Liu T, Troisi A
Absolute Rate of Charge Separation and Recombination in a Molecular Model
of the P3HT/PCBM interface

J PHYS CHEM C 115, 2406-2415, 2011

67) Troisi A
Dynamic disorder in molecular semiconductors: charge transport in two dimensions
J CHEM PHYS, 134, 034702, 2011

66) Martsinovich N, Jones DR, Troisi A
Electronic structure of TiO2 surfaces and effect of molecular adsorbates
using different DFT implementations

J PHYS CHEM C 114, 22659–22670, 2010

65) Troisi A
Quantum dynamic localization in the Holstein Hamiltonian at finite temperatures
PHYS REV B 82, 245202, 2010

64) Vehoff T, Baumeier B, Troisi A, Andrienko D
Charge transport in organic crystals: role of disorder and topological connectivity
J AM CHEM SOC, 132, 11702-11708, 2010

63) Fortuna S, Troisi A
Agent Based Modelling for the 2D Molecular Self-Organization of Realistic Molecules
J PHYS CHEM B 114, 10151–10159, 2010

62) Cheung DL, Troisi A
Theoretical Study of the Organic Photovoltaic Electron Acceptor PCBM: 
Morphology, Electronic Structure and Charge Localization

 J PHYS CHEM C 114 (48), 20479-20488, 2010

61) Vehoff T, Chung YS, Johnston K, Troisi A, Yoon DY, Andrienko D
Charge Transport in Self-Assembled Semiconducting Organic Layers: 
Role of Dynamic and Static Disorder
J PHYS CHEM C 114, 10592-10597, 2010

60) McMahon DP, Troisi A
Organic Semiconductors: Impact of Disorder at Different Timescales
CHEM PHYS CHEM 11, 2067-2074, 2010

59) McMahon DP, Troisi A
Evaluation of the external reorganization energy of polyacenes
J PHYS CHEM LETT 1 (6), 941-946, 2010

58) Jones DR, Troisi A  
A method to rapidly predict the charge injection rate in dye sensitized solar cells
PHYS CHEM CHEM PHYS 12 (18), 4625-4634, 2010

57) Martsinovich N, Troisi A  
Modelling the Self-Assembly of Benzenedicarboxylic Acids
Using Monte Carlo and Molecular Dynamics Simulations
J PHYS CHEM C 114 (10), 4376-4388, 2010

56) Fortuna S, Cheung DL, Troisi A
Hexagonal Lattice Model of the Patterns Formed by
Hydrogen-Bonded Molecules on Surface

J PHYS CHEM B 114 (5), 1849-1858, 2010

55) Cannazza G, Carrozzo MM, Battisti U, Braghiroli D, Parenti C, Troisi A, Troisi L
Determination of Kinetic Parameters of Enantiomerization
of Benzothiadiazines by DCXplorer
 CHIRALITY 9, 789-797, 2010

54) McMahon DP, Troisi A
An ad hoc tight binding method to study the electronic structure of semiconducting polymers
CHEM PHYS LETT 480 (4), 210-214, 2009

53) Cheung DL, McMahon DP, Troisi A
A realistic description of the charge carrier wavefunction
in microcrystalline polymer semiconductors
J AM CHEM SOC 131, 11179-11186, 2009

52) Fortuna S, Troisi A
An artificial intelligence approach for modelling molecular self-assembly:    
Agent Based simulations of rigid molecules
J PHYS CHEM B 113, 9877-9885, 2009

51) Troisi A, Cheung DL
Transition from dynamic to static disorder in one-dimensional semiconductors
J CHEM PHYS 131, 014703, 2009

50) Cheung DL, McMahon DP, Troisi A
Computational study of structure and charge transfer parameters    
of low-molecular mass P3HT

J PHYS CHEM B 113, 9393-9401, 2009

49) Fortuna S, Colard C, Troisi A, Bon SAF
Packing Patterns of Silica Nanoparticles on Surfaces of Armored Polystyrene Latex Particles
LANGMUIR 25 (21), 12399-12403, 2009

48) Troisi A, Cheung DL, Andrienko D
Charge Transport in semiconductors with multiscale conformational dynamics
PHYS REV LETT 102, 116602, 2009

47) Rahimi M, Troisi A
Probing local electric field and conformational switching in single molecule break junctions
PHYS REV B 79, 113413, 2009

46) Troisi A
Theories of the charge transport mechanism in ordered organic semiconductors
ADV POLYMER SCI, DOI:10.1007/12_2009_10, 2009

45) Cheung DL, Troisi A
Molecular structure and phase behaviour of hairy-rod polymers
PHYS CHEM CHEM PHYS 11, 2105-2112, 2009

44) Sleigh JP, McMahon DP, Troisi A
Effect of the intermolecular thermal motions on the tail   
of the electronic density of states in polyacene crystal
APPL PHYS A 95, 147, 2009

43) Cheung DL, Troisi A
Modelling Charge Transport in Organic Semiconductors:  
form Quantum Dynamics to Soft Matter

PHYS CHEM CHEM PHYS, 10, 5942, 2008

42) Troisi A
Inelastic electron tunnelling in saturated molecules with different functional groups:  
correlations and symmetry considerations from a computational study

J PHYS CONDENS MATTER 20, 374111, 2008

41) van Laarhoven HA, Flipse CFJ, Koeberg M, Bonn M, Hendry E, Orlandi G, Jurchescu OD, Palstra TTM, Troisi A
On the mechanism of charge transport in pentacene
J CHEM PHYS 129, 044704, 2008

40) Bhattacharyay A, Troisi A
Self-assembly of sparsely distributed molecules: an efficient cluster algorithm
CHEM PHYS LETT 458, 210-213, 2008

39) Galperin M, Ratner MA, Nitzan A, Troisi A
Nuclear Coupling and Polarization in Molecular Transport Junctions:
Beyond Tunneling to Function
SCIENCE 319, 1056-1062, 2008

38) Long DP, Troisi A
Inelastic electron tunneling spectroscopy of alkane monolayers
with dissimilar attachment chemistry to gold
J AM CHEM SOC 129, 15303-15310, 2007

37) Troisi A, Beebe JA, Picraux LB, van Zee RD, Stewart DR, Ratner MA, Kushmerick JG
Tracing electronic pathways in molecules by using inelastic electron tunneling spectroscopy
PROC NATL ACAD SCI USA 104, 14255-14259, 2007

36) Jones DR, Troisi A
Single Molecule Conductance of Linear Dithioalkanes in the Liquid Phase:
Apparently Activated Transport Due to Comformational Flexibility

J PHYS CHEM C 111, 14567-14578, 2007

35) Troisi A
Prediction of the absolute charge mobility of molecular semiconductors:
the case of Rubrene

ADVANCED MATERIALS 19, 2000-2004, 2007

34) Troisi A, Ratner MA
Inelastic insights for molecular tunneling pathways: Bypassing the terminal group
PHYS CHEM CHEM PHYS 9, 2421-2427, 2007

33) Troisi A, Ratner MA
Propensity rules for inelastic electron tunneling spectroscopy of single-molecule transport
J CHEM PHYS 125 (21), 214709, 2006

32) Long DP, Lazorcik JL, Brent AM, Moore MH, Ratner MA, Troisi A,Yao Y, Ciszek JB, Tour JM, Shashidar R
Effect of hydration in molecular junction transport
NATURE MATERIALS 5 (11), 901-908, 2006

31) Troisi A
Charge dynamics through pi-stacked arrays of conjugated molecules:
effect of dynamic disorder in different transport/transfer regimes
MOLECULAR SIMULATION 32 (9), 707-716, 2006

30) Troisi L, Ronzini L, Granito C, Pindinelli E, Troisi A, Pilati T
Synthesis and isomerization of N-alpha-aza-heteroaryl-beta-lactams:
TETRAHEDRON 62 (51), 12064-12070, 2006

29) Troisi A, Ratner MA
Molecular transport junctions: Propensity rules for inelastic electron tunneling spectra
NANO LETTERS 6 (8), 1784-1788, 2006

28) Troisi A, Orlandi G
Charge transport regime of crystalline organic semiconductors:
diffusion limited by thermal off-diagonal electronic disorder

PHYS REV LETT 96 (8), 086601, 2006

27) Troisi A, Orlandi G
Dynamics of the intermolecular transfer integral in crystalline organic semiconductors 
J PHYS CHEM A 110 (11), 4065-4070, 2006

26) Troisi A, Ratner MA
Molecular Signatures in the Transport Properties of Molecular Wire Junctions:
What Makes a Junction ‘Molecular?’

SMALL 2 (2), 172-181, 2006

25) Troisi A, Orlandi G, Anthony JE
Electronic interactions and thermal disorder in molecular crystals
containing cofacial pentacene units
CHEM MATER 17 (20), 5024-5031, 2005

24) Troisi A, Ratner MA
Modeling the Inelastic Electron Tunneling Spectra of Molecular Wire Junctions
PHYS REV B 72 (3), 033408, 2005

23) Troisi A, Orlandi G
Band Structure of the four pentacene polymorphs and effect on the hole mobility
at low temperature

J PHYS CHEM B 109 (5), 1849-1856, 2005

22) Troisi A, Wong V, Ratner MA
An agent-based approach for modeling molecular self-organization
PROC NATL ACAD SCI USA 102 (2), 255-260, 2005

21) Troisi A, Wong V, Ratner MA
Self-Assembly on multiple length-scales:
a Monte Carlo algorithm with data Augmentation

J CHEM PHYS 122 (2), 024102, 2005

20) Tsenchev S, Troisi A, Schatz GC, Ratner MA
All atoms numerical study of Self-Assembly of Zwitterionic Peptide Amphiphiles
J PHYS CHEM B 108 (39), 15278-15284, 2004

19) Troisi A, Ratner MA
Conformational Molecular Rectifiers
NANOLETTERS 4 (4), 591-595, 2004

18) Tsonchev S, Troisi A, Schatz GC, Ratner MA
On the structure and stability of self-assembled zwitterionic peptide amphiphiles:
a theoretical study

NANOLETTERS 4 (3), 427-431, 2004

17) Troisi A, Ratner MA, Zimmt MB
Dynamic nature of the intramolecular electronic coupling mediated by a
solvent molecule: a computational study

J AM CHEM SOC 126 (7), 2215-2224, 2004

16) Guldi DM, Hirsch A, Scheloske M, Dietel E, Troisi A, Zerbetto F, Prato M
Modulating charge-transfer interactions in topologically different porphyrin-C-60 dyads
CHEM-EUR J 9 (20): 4968-4979, 2003

15) Troisi A, Nitzan A, Ratner MA
A rate constant expression for charge transfer through fluctuating bridges
J CHEM PHYS 119 (12): 5782-5788, 2003

14) Troisi A, Ratner MA
Molecular Wires Conductance: Some Theoretical and Computational Aspects
American Scientific Publisher, 2003

13) Troisi A, Ratner MA, Nitzan A
Vibronic effects in off-resonance molecular wire conductance
J CHEM PHYS 118 (13): 6072-6082, 2003

12) Troisi A, Orlandi G
Construction of electronic diabatic states within a molecular orbital scheme
J CHEM PHYS 118 (18): 5356-5363, 2003

11) Troisi A, Ratner MA
Molecular rectification through electric field induced conformational changes
J AM CHEM SOC 124 (49): 14528-14529, 2002

10) Troisi A, Orlandi G
Hole migration in DNA: a theoretical analysis of the role of structural fluctuations
J PHYS CHEM B 106 (8): 2093-2101, 2002

9) Zwier JM, Brouwer AM, Buma WJ, Troisi A, Zerbetto F
Structure and photophysics of an old, new molecule:
J AM CHEM SOC 124 (1): 149-158, 2002

8) Guldi DM, Luo CP, Prato M, Troisi A, Zerbetto F, Scheloske M, Dietel E, Bauer W,
Hirsch A
Parallel (face-to-face) versus perpendicular (edge-to-face) alignment of electron
donors and acceptors in fullerene porphyrin dyads: The importance of orientation
in electron transfer
J AM CHEM SOC 123 (37): 9166-9167, 2001

7) Troisi A, Orlandi G
The hole transfer in DNA: calculation of electron coupling between close bases
CHEM PHYS LETT 344 (5-6): 509-518, 2001

6) Leigh DA, Troisi A, Zerbetto F
A quantum-mechanical description of macrocyclic ring rotation in benzylic amide
CHEM-EUR J 7 (7): 1450-1454, 2001

5) Leigh DA, Troisi A, Zerbetto F
Reducing molecular shuttling to a single dimension
ANGEW CHEM INT EDIT 39 (2): 350-, 2000

4) Ceulemans A, King RB, Bovin SA, Rogers KM, Troisi A, Fowler PW
The heptakisoctahedral group and its relevance to carbon allotropes with negative
J MATH CHEM 26 (1): 101-123, 1999

3) Fowler PW, Heine T, Troisi A
Valencies of a small fullerene: structures and energetics of C24H2m
CHEM PHYS LETT 312 (2-4): 77-84, 1999

2) Fowler PW, Rogers KM, Somers KR, Troisi A
Independent sets and the prediction of addition patterns for higher fullerenes
J CHEM SOC PERK T 2 (10): 2023-2027, 1999

1) Orlandi G, Troisi A, Zerbetto F
Simulation of STM images from commercially available software
J AM CHEM SOC 121 (23): 5392-5395, 1999



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