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Dhurba Rai
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Circular currents in molecular wires
D Rai, O Hod, A Nitzan
The Journal of Physical Chemistry C 114 (48), 20583-20594, 2010
842010
Electrically driven spin currents in DNA
D Rai, M Galperin
The Journal of Physical Chemistry C 117 (26), 13730-13737, 2013
762013
Water clusters (H2O), n= 6–8, in external electric fields
D Rai, AD Kulkarni, SP Gejji, RK Pathak
The Journal of chemical physics 128, 034310, 2008
672008
Magnetic fields effects on the electronic conduction properties of molecular ring structures
D Rai, O Hod, A Nitzan
Physical Review B 85 (15), 155440, 2012
632012
Magnetic field control of the current through molecular ring junctions
D Rai, O Hod, A Nitzan
The Journal of Physical Chemistry Letters 2 (17), 2118-2124, 2011
542011
Exploring electric field induced structural evolution of water clusters,(H2O) n [n= 9–20]: Density functional approach
D Rai, AD Kulkarni, SP Gejji, LJ Bartolotti, RK Pathak
The Journal of Chemical Physics 138 (4), 2013
442013
Electric field effects on aromatic and aliphatic hydrocarbons: a density-functional study
D Rai, H Joshi, AD Kulkarni, SP Gejji, RK Pathak
The Journal of Physical Chemistry A 111 (37), 9111-9121, 2007
412007
Spin inelastic currents in molecular ring junctions
D Rai, M Galperin
Physical Review B 86 (4), 045420, 2012
322012
Methanol clusters (CH3OH) n, n= 3–6 in external electric fields: Density functional theory approach
D Rai, AD Kulkarni, SP Gejji, RK Pathak
The Journal of chemical physics 135 (2), 2011
302011
Water clusters (H2O) n [n= 9–20] in external electric fields: Exotic OH stretching frequencies near breakdown
LJ Bartolotti, D Rai, AD Kulkarni, SP Gejji, RK Pathak
Computational and Theoretical Chemistry 1044, 66-73, 2014
262014
Interaction of peroxyformic acid with water molecules: a first-principles study
AD Kulkarni, D Rai, LJ Bartolotti, RK Pathak
The Journal of Physical Chemistry A 110 (42), 11855-11861, 2006
132006
Steady-state current transfer and scattering theory
V Ben-Moshe, D Rai, SS Skourtis, A Nitzan
The Journal of chemical physics 133 (5), 2010
112010
Microsolvation of methyl hydrogen peroxide: Ab initio quantum chemical approach
AD Kulkarni, D Rai, LJ Bartolotti, RK Pathak
The Journal of chemical physics 131 (5), 2009
92009
Structuring and destructuring effects along a pathway toward formation of zwitterionic glycine···(H2O) 2 complex: many body analysis of clusters and molecular electrostatic …
AD Kulkarni, D Rai, SP Gejji, LJ Bartolotti, RK Pathak
International Journal of Quantum Chemistry 113 (9), 1325-1332, 2013
72013
Circular current and induced force in a molecular ring junction
U Dhakal, D Rai
Journal of Physics: Condensed Matter 31 (12), 125302, 2019
62019
Is high electric field capable of selectively inducing a covalent-like bond between polar and non-polar molecular species?
D Rai, AD Kulkarni, SP Gejji, RK Pathak
Theoretical Chemistry Accounts 123, 501-511, 2009
62009
Hellmann-Feynman theorem in a mixed ensemble
D Rai
Physical Review A 75 (3), 032514, 2007
52007
Structured water chains in external electric fields
S Rai, N Sharma, D Rai
Molecular Physics 118 (8), e1662957, 2020
42020
Magnetic field control of current through model graphene nanosheets
U Dhakal, D Rai
Physics Letters A 383 (18), 2193-2200, 2019
42019
Methyl hydrogen peroxide dimer: A structural study
AD Kulkarni, D Rai, LJ Bartolotti, RK Pathak
Journal of Molecular Structure: THEOCHEM 824 (1-3), 32-38, 2007
22007
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Articles 1–20