1. What are the contributions in "Interstellar hydrogen bonding" ?
This paper reports the first extensive study of the existence and effects of interstellar hydrogen bonding.
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Interstellar hydrogen bonding
Emmanuel E. Etim,Prasanta Gorai,Ankan Das,Sandip K. Chakrabarti,Sandip K. Chakrabarti,Elangannan Arunan +5 more
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TL;DR: In this article, the first extensive study of the existence and effects of interstellar hydrogen bonding has been conducted, where high level quantum chemical simulations for the hydrogen bond interaction between 20 interstellar molecules and water are carried out using different ab-intio methods.
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About: This article is published in Advances in Space Research. The article was published on 01 Jun 2018. and is currently open access. The article focuses on the topics: Interstellar ice & Astrochemistry.
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Figures
Fig. 2. Optimized structures of the hydrogen bonded C3H6O2 and C3H8O isomer complexes with water. 
Table 6 Binding energies for C2H5NO2 isomer complexes with water. 
Table 1 Optimized geometry (Å, deg) parameters of the water monomer. 
Fig. 1. Optimized structures of the hydrogen bonded C 
Table 7 Binding energies for propenal and methyl ketene-water complexes. 
Fig. 4. Optimized structures of the hydrogen bonded C
Citations
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Weak Interactions in Interstellar Chemistry: How Do Open Shell Molecules Interact with Closed Shell Molecules?
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Electronic substituent effect on Se-H⋯N hydrogen bond: A computational study of para-substituted pyridine-SeH2 complexes
TL;DR: In this article, the electron donating substituents lead to an increase of the stabilization energy along with elongation in the Se-H bond length and red-shift in SeH stretching frequency.
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Matrix isolation study on the 1:1 hydrogen-bonded complexes [H, C, N] … [H, C, N, O]
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References
The calculation of small molecular interactions by the differences of separate total energies. Some procedures with reduced errors
TL;DR: In this paper, a direct difference method for the computation of molecular interactions has been based on a bivariational transcorrelated treatment, together with special methods for the balancing of other errors.
21.2K
The influence of polarization functions on molecular orbital hydrogenation energies
P. C. Hariharan,John A. Pople +1 more
TL;DR: In this paper, a split-valence extended gaussian basis set was used to obtain the LCAO-MO-SCF energies of closed shell species with two non-hydrogen atoms.
14.7K
Note on an Approximation Treatment for Many-Electron Systems
Chr. Møller,Milton S. Plesset +1 more
TL;DR: In this article, a perturbation theory for treating a system of n electrons in which the Hartree-Fock solution appears as the zero-order approximation was developed, and it was shown by this development that the first order correction for the energy and the charge density of the system is zero.
Gaussian-3 (G3) theory for molecules containing first and second-row atoms
TL;DR: In this paper, a new theoretical procedure based on ab initio molecular-orbital theory for the calculation of molecular energies of compounds containing first (Li-F) and second row (Na-Cl) atoms is presented.
2.7K
MP2 energy evaluation by direct methods
TL;DR: In this paper, an efficient algorithm for evaluating the second-order Moller-Plesset (MP2) energy directly from two-electron integrals in the atomic orbital basis, i.e., the integrals are not stored.
2.7K