Property-optimized Gaussian basis sets for molecular response calculations
With recent advances in electronic structure methods, first-principles calculations of
electronic response properties, such as linear and nonlinear polarizabilities, have become …
electronic response properties, such as linear and nonlinear polarizabilities, have become …
Electron transport through molecular junctions
At present, metal–molecular tunnel junctions are recognized as important active elements in
molecular electronics. This gives a strong motivation to explore physical mechanisms …
molecular electronics. This gives a strong motivation to explore physical mechanisms …
Remarkable diversity of carbon–carbon bonds: structures and properties of fullerenes, carbon nanotubes, and graphene
Large scientific community has been passionate in understanding different carbon
nanostructures for last two decades. In this review, we present the general description of low …
nanostructures for last two decades. In this review, we present the general description of low …
A novel projection approximation algorithm for the fast and accurate computation of molecular collision cross sections (I). Method
A projected superposition approximation (PSA) to compute molecular collision cross
sections measured in ion-mobility experiments is developed. In the framework of the PSA …
sections measured in ion-mobility experiments is developed. In the framework of the PSA …
Top-down formation of fullerenes in the interstellar medium
Fullerenes have recently been detected in various circumstellar and interstellar
environments, raising the question of their formation pathway. It has been proposed that they …
environments, raising the question of their formation pathway. It has been proposed that they …
Bulk heterojunction photovoltaic cells with low donor concentration
M Zhang, H Wang, H Tian, Y Geng… - Advanced …, 2011 - Wiley Online Library
Adv. Mater. 2011, 23, 4960–4964 at a much slower rate, to as low as 0.74 V for the cell with
50% TAPC. For conventional BHJ cells, it has been well established that the built-in …
50% TAPC. For conventional BHJ cells, it has been well established that the built-in …
Photon mediated transport of energy, linear momentum, and angular momentum in fullerene and graphene systems beyond local equilibrium
Based on a tight-binding model for the electron system, we investigate the transfer of energy,
momentum, and angular momentum mediated by electromagnetic fields among …
momentum, and angular momentum mediated by electromagnetic fields among …
[BOOK][B] Carbon nanomaterials: synthesis, structure, properties and applications
RB Mathur, BP Singh, S Pande - 2016 - taylorfrancis.com
The study of nanostructures has become, in recent years, a theme common to many
disciplines, in which scientists and engineers manipulate matter at the atomic and molecular …
disciplines, in which scientists and engineers manipulate matter at the atomic and molecular …
On the statics of fullerene structures
In the present study, thorough research on bending analysis of the fullerene structures (such
as C 60, C 720, C 2160, and C 4860) resting on the Winkler-Pasternak elastic foundation …
as C 60, C 720, C 2160, and C 4860) resting on the Winkler-Pasternak elastic foundation …
Photon mediated energy, linear and angular momentum transport in fullerene and graphene systems beyond local equilibrium
Based on a tight-binding model for the electron system, we investigate the transfer of energy,
momentum, and angular momentum mediated by electromagnetic fields among …
momentum, and angular momentum mediated by electromagnetic fields among …