22 research outputs found
Random walks and market efficiency in Chinese and Indian equity markets
Hypothesis of Market Efficiency is an important concept for the investors
across the globe holding diversified portfolios. With the world economy getting
more integrated day by day, more people are investing in global emerging
markets. This means that it is pertinent to understand the efficiency of these
markets. This paper tests for market efficiency by studying the impact of
global financial crisis of 2008 and the recent Chinese crisis of 2015 on stock
market efficiency in emerging stock markets of China and India. The data for
last 20 years was collected from both Bombay Stock Exchange (BSE200) and the
Shanghai Stock Exchange Composite Index and divided into four sub-periods, i.e.
before financial crisis period (period-I), during recession (period-II), after
recession and before Chinese Crisis (periodIII) and from the start of Chinese
crisis till date (period- IV). Daily returns for the SSE and BSE were examined
and tested for randomness using a combination of auto correlation tests, runs
tests and unit root tests (Augmented Dickey-Fuller) for the entire sample
period and the four sub-periods. The evidence from all these tests supports
that both the Indian and Chinese stock markets do not exhibit weak form of
market efficiency. They do not follow random walk overall and in the first
three periods (1996 till the 2015) implying that recession did not impact the
markets to a great extent, although the efficiency in percentage terms seems to
be increasing after the global financial crisis of 2008
The Great Diversity of HMX Conformers: Probing the Potential Energy Surface Using CCSD(T)
The
octahydro-1,3,5,7-tetranitro-1,3,5,7-tetraazocine (HMX) molecule is
a very commonly studied system, in all 3 phases, because of its importance
as an explosive; however, no one has ever attempted a systematic study
of <i>what</i> all the major gas-phase conformers are. This
is critical to a mechanistic study of the kinetics involved, as well
as the viability of various crystalline polymorphs based on the gas-phase
conformers. We have used existing knowledge of basic cyclooctane chemistry
to survey all possible HMX conformers based on its fundamental ring
structure. After studying what geometries are possible after second-order
many-body perturbation theory (MBPT(2)) geometry optimization, we
calculated the energetics using coupled cluster singles, doubles,
and perturbative triples (CCSD(T))/cc-pVTZ. These highly accurate
energies allow us to better calculate starting points for future mechanistic
studies. Additionally, the plethora of structures are compared to
existing experimental data of crystals. It is found that the crystal
field effect is sometimes large and sometimes small for HMX
The Great Diversity of HMX Conformers: Probing the Potential Energy Surface Using CCSD(T)
The
octahydro-1,3,5,7-tetranitro-1,3,5,7-tetraazocine (HMX) molecule is
a very commonly studied system, in all 3 phases, because of its importance
as an explosive; however, no one has ever attempted a systematic study
of <i>what</i> all the major gas-phase conformers are. This
is critical to a mechanistic study of the kinetics involved, as well
as the viability of various crystalline polymorphs based on the gas-phase
conformers. We have used existing knowledge of basic cyclooctane chemistry
to survey all possible HMX conformers based on its fundamental ring
structure. After studying what geometries are possible after second-order
many-body perturbation theory (MBPT(2)) geometry optimization, we
calculated the energetics using coupled cluster singles, doubles,
and perturbative triples (CCSD(T))/cc-pVTZ. These highly accurate
energies allow us to better calculate starting points for future mechanistic
studies. Additionally, the plethora of structures are compared to
existing experimental data of crystals. It is found that the crystal
field effect is sometimes large and sometimes small for HMX
The Great Diversity of HMX Conformers: Probing the Potential Energy Surface Using CCSD(T)
The
octahydro-1,3,5,7-tetranitro-1,3,5,7-tetraazocine (HMX) molecule is
a very commonly studied system, in all 3 phases, because of its importance
as an explosive; however, no one has ever attempted a systematic study
of <i>what</i> all the major gas-phase conformers are. This
is critical to a mechanistic study of the kinetics involved, as well
as the viability of various crystalline polymorphs based on the gas-phase
conformers. We have used existing knowledge of basic cyclooctane chemistry
to survey all possible HMX conformers based on its fundamental ring
structure. After studying what geometries are possible after second-order
many-body perturbation theory (MBPT(2)) geometry optimization, we
calculated the energetics using coupled cluster singles, doubles,
and perturbative triples (CCSD(T))/cc-pVTZ. These highly accurate
energies allow us to better calculate starting points for future mechanistic
studies. Additionally, the plethora of structures are compared to
existing experimental data of crystals. It is found that the crystal
field effect is sometimes large and sometimes small for HMX
The Great Diversity of HMX Conformers: Probing the Potential Energy Surface Using CCSD(T)
The
octahydro-1,3,5,7-tetranitro-1,3,5,7-tetraazocine (HMX) molecule is
a very commonly studied system, in all 3 phases, because of its importance
as an explosive; however, no one has ever attempted a systematic study
of <i>what</i> all the major gas-phase conformers are. This
is critical to a mechanistic study of the kinetics involved, as well
as the viability of various crystalline polymorphs based on the gas-phase
conformers. We have used existing knowledge of basic cyclooctane chemistry
to survey all possible HMX conformers based on its fundamental ring
structure. After studying what geometries are possible after second-order
many-body perturbation theory (MBPT(2)) geometry optimization, we
calculated the energetics using coupled cluster singles, doubles,
and perturbative triples (CCSD(T))/cc-pVTZ. These highly accurate
energies allow us to better calculate starting points for future mechanistic
studies. Additionally, the plethora of structures are compared to
existing experimental data of crystals. It is found that the crystal
field effect is sometimes large and sometimes small for HMX
The Great Diversity of HMX Conformers: Probing the Potential Energy Surface Using CCSD(T)
The
octahydro-1,3,5,7-tetranitro-1,3,5,7-tetraazocine (HMX) molecule is
a very commonly studied system, in all 3 phases, because of its importance
as an explosive; however, no one has ever attempted a systematic study
of <i>what</i> all the major gas-phase conformers are. This
is critical to a mechanistic study of the kinetics involved, as well
as the viability of various crystalline polymorphs based on the gas-phase
conformers. We have used existing knowledge of basic cyclooctane chemistry
to survey all possible HMX conformers based on its fundamental ring
structure. After studying what geometries are possible after second-order
many-body perturbation theory (MBPT(2)) geometry optimization, we
calculated the energetics using coupled cluster singles, doubles,
and perturbative triples (CCSD(T))/cc-pVTZ. These highly accurate
energies allow us to better calculate starting points for future mechanistic
studies. Additionally, the plethora of structures are compared to
existing experimental data of crystals. It is found that the crystal
field effect is sometimes large and sometimes small for HMX
The Great Diversity of HMX Conformers: Probing the Potential Energy Surface Using CCSD(T)
The
octahydro-1,3,5,7-tetranitro-1,3,5,7-tetraazocine (HMX) molecule is
a very commonly studied system, in all 3 phases, because of its importance
as an explosive; however, no one has ever attempted a systematic study
of <i>what</i> all the major gas-phase conformers are. This
is critical to a mechanistic study of the kinetics involved, as well
as the viability of various crystalline polymorphs based on the gas-phase
conformers. We have used existing knowledge of basic cyclooctane chemistry
to survey all possible HMX conformers based on its fundamental ring
structure. After studying what geometries are possible after second-order
many-body perturbation theory (MBPT(2)) geometry optimization, we
calculated the energetics using coupled cluster singles, doubles,
and perturbative triples (CCSD(T))/cc-pVTZ. These highly accurate
energies allow us to better calculate starting points for future mechanistic
studies. Additionally, the plethora of structures are compared to
existing experimental data of crystals. It is found that the crystal
field effect is sometimes large and sometimes small for HMX
Conformers of CL-20 Explosive and ab Initio Refinement Using Perturbation Theory: Implications to Detonation Mechanisms
We have identified the major conformers of CL-20 explosive,
otherwise known as 2,4,6,8,10,12-hexanitrohexaazaisowurtzitane, more
formally known as 2,4,6,8,10,12-hexanitrohexaazatetracyclo[5.5.0.0]-dodecane,
via Monte Carlo search in conformational space through molecular mechanics
and subsequent quantum mechanical refinement using perturbation theory.
Our search produced enough conformers to account for all of the various
forms of CL-20 found in crystals. This suggests that our methodology
will be useful in studying the conformational landscape of other nitramines.
The energy levels of the conformers found are all within 0.25 eV of
one another based on MBPT(2)/6-311G(d,p); consequently, without further
refinement from a method such as coupled cluster theory, all conformers
may reasonably be populated at STP in the gas phase. We also report
the harmonic vibrational frequencies of conformers, including the
implications on the mechanism of detonation. In particular, we establish
that the weakest N–N nitramine of CL-20 is the cyclohexane
equatorial nitramine. This preliminary mapping of the conformers of
CL-20 makes it possible to study the mechanism of detonation of this
explosive rigorously in future work
The Great Diversity of HMX Conformers: Probing the Potential Energy Surface Using CCSD(T)
The
octahydro-1,3,5,7-tetranitro-1,3,5,7-tetraazocine (HMX) molecule is
a very commonly studied system, in all 3 phases, because of its importance
as an explosive; however, no one has ever attempted a systematic study
of <i>what</i> all the major gas-phase conformers are. This
is critical to a mechanistic study of the kinetics involved, as well
as the viability of various crystalline polymorphs based on the gas-phase
conformers. We have used existing knowledge of basic cyclooctane chemistry
to survey all possible HMX conformers based on its fundamental ring
structure. After studying what geometries are possible after second-order
many-body perturbation theory (MBPT(2)) geometry optimization, we
calculated the energetics using coupled cluster singles, doubles,
and perturbative triples (CCSD(T))/cc-pVTZ. These highly accurate
energies allow us to better calculate starting points for future mechanistic
studies. Additionally, the plethora of structures are compared to
existing experimental data of crystals. It is found that the crystal
field effect is sometimes large and sometimes small for HMX
The Great Diversity of HMX Conformers: Probing the Potential Energy Surface Using CCSD(T)
The
octahydro-1,3,5,7-tetranitro-1,3,5,7-tetraazocine (HMX) molecule is
a very commonly studied system, in all 3 phases, because of its importance
as an explosive; however, no one has ever attempted a systematic study
of <i>what</i> all the major gas-phase conformers are. This
is critical to a mechanistic study of the kinetics involved, as well
as the viability of various crystalline polymorphs based on the gas-phase
conformers. We have used existing knowledge of basic cyclooctane chemistry
to survey all possible HMX conformers based on its fundamental ring
structure. After studying what geometries are possible after second-order
many-body perturbation theory (MBPT(2)) geometry optimization, we
calculated the energetics using coupled cluster singles, doubles,
and perturbative triples (CCSD(T))/cc-pVTZ. These highly accurate
energies allow us to better calculate starting points for future mechanistic
studies. Additionally, the plethora of structures are compared to
existing experimental data of crystals. It is found that the crystal
field effect is sometimes large and sometimes small for HMX