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Chemical thermodynamics: a journey of many vistas
E Wilhelm - Journal of Solution Chemistry, 2014 - Springer
Chemical thermodynamics is of central importance in chemistry, physics, the biosciences
and engineering. It is a highly formalized scientific discipline of enormous generality …
and engineering. It is a highly formalized scientific discipline of enormous generality …
Structure of neat liquids consisting of (perfect and nearly) tetrahedral molecules
The liquid structure of carbon tetrachloride, a molecular liquid consisting of molecules with
perfect tetrahedral shape (Td symmetry), has been continuously investigated for more than …
perfect tetrahedral shape (Td symmetry), has been continuously investigated for more than …
Polymorphism in 2-X-adamantane derivatives (X= Cl, Br)
P Negrier, M Barrio, JL Tamarit… - The Journal of Physical …, 2014 - ACS Publications
The polymorphism of two 2-X-adamantane derivatives, X= Cl, X= Br, has been studied by X-
ray powder diffraction and normal-and high-pressure (up to 300 MPa) differential scanning …
ray powder diffraction and normal-and high-pressure (up to 300 MPa) differential scanning …
Role of tungsten disulfide quantum dots in specific protein–protein interactions at air–water interface
The intriguing network of antibody–antigen (Ab–Ag) interactions is highly governed by
environmental perturbations and the nature of biomolecular interaction. Protein–protein …
environmental perturbations and the nature of biomolecular interaction. Protein–protein …
Reverse Monte Carlo investigations concerning recent isotopic substitution neutron diffraction data on liquid water
Although liquid water has been studied for many decades by (X-ray and neutron) diffraction
measurements, new experimental results keep appearing, virtually every year. The reason …
measurements, new experimental results keep appearing, virtually every year. The reason …
Effects of site-occupation disorder on the low-temperature thermal conductivity of molecular crystals
The thermal conductivity of CBr n Cl 4-n,(n= 0, 1, 2) and 2-adamantanone (C 10 H 14 O)
crystals which exhibit substitutional disorder has been measured for temperatures between …
crystals which exhibit substitutional disorder has been measured for temperatures between …
Liquid chloroform structure from computer simulation with a full ab initio intermolecular interaction potential
CC Yin, AHT Li, SD Chao - The Journal of chemical physics, 2013 - pubs.aip.org
We have calculated the intermolecular interaction energies of the chloroform dimer in 12
orientations using the second-order Møller-Plesset perturbation theory. Single point …
orientations using the second-order Møller-Plesset perturbation theory. Single point …
Intermolecular Interaction in Methylene Halide (CH2F2, CH2Cl2, CH2Br2 and CH2I2) Dimers
The intermolecular interaction in difluoromethane, dichloromethane, dibromomethane, and
diiodomethane dimers has been investigated using high level quantum chemical methods …
diiodomethane dimers has been investigated using high level quantum chemical methods …
Reverse Monte Carlo modeling: The two distinct routes of calculating the experimental structure factor
Abstract Two different Reverse Monte Carlo strategies,'RMC++'and 'RMCPOW', have been
compared for determining the microscopic structure of some liquid and amorphous solid …
compared for determining the microscopic structure of some liquid and amorphous solid …
Orientational relaxations in solid (1, 1, 2, 2) tetrachloroethane
We employ dielectric spectroscopy and molecular dynamic simulations to investigate the
dipolar dynamics in the orientationally disordered solid phase of (1, 1, 2, 2) …
dipolar dynamics in the orientationally disordered solid phase of (1, 1, 2, 2) …