(Q50253439)

28 February 2018

title

Modeling the weak hydrogen bonding of pyrrole and dichloromethane through Raman and DFT study. (English)

1 reference

28 February 2018

author name string

Dheeraj Kumar Singh

series ordinal

1

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28 February 2018

Birendra Pratap Asthana

series ordinal

2

1 reference

28 February 2018

Sunil Kumar Srivastava

series ordinal

3

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28 February 2018

publication date

11 February 2012

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28 February 2018

Journal of Molecular Modeling

published in

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28 February 2018

volume

18

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28 February 2018

issue

8

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28 February 2018

page(s)

3541-3552

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28 February 2018

Structures of high and low density amorphous ice by neutron diffraction.

cites work

1 reference

https://api.crossref.org/works/10.1007%2FS00894-012-1355-X

pH-dependent Raman study of pyrrole and its vibrational analysis using DFT calculations

21 January 2018

1 reference

https://api.crossref.org/works/10.1007%2FS00894-012-1355-X

Characterization of guanidiniocarbonyl pyrroles in water by pH-dependent UV Raman spectroscopy and component analysis.

21 January 2018

1 reference

https://api.crossref.org/works/10.1007%2FS00894-012-1355-X

Development of the Colle-Salvetti correlation-energy formula into a functional of the electron density

21 January 2018

1 reference

https://api.crossref.org/works/10.1007%2FS00894-012-1355-X

Density-functional thermochemistry. III. The role of exact exchange

21 January 2018

1 reference

https://api.crossref.org/works/10.1007%2FS00894-012-1355-X

The calculation of small molecular interactions by the differences of separate total energies. Some procedures with reduced errors

21 January 2018

1 reference

https://api.crossref.org/works/10.1007%2FS00894-012-1355-X

Self‐consistent molecular orbital methods. XX. A basis set for correlated wave functions

21 January 2018

1 reference

https://api.crossref.org/works/10.1007%2FS00894-012-1355-X

Polarizable Continuum Model (PCM) Calculations of Solvent Effects on Optical Rotations of Chiral Molecules

21 January 2018

1 reference

https://api.crossref.org/works/10.1007%2FS00894-012-1355-X

Theoretical studies of van der Waals molecules and intermolecular forces

21 January 2018

1 reference

https://api.crossref.org/works/10.1007%2FS00894-012-1355-X

New scale factors for harmonic vibrational frequencies using the B3LYP density functional method with the triple-zeta basis set 6-311+G(d,p)

21 January 2018

1 reference

PubMed

https://pubmed.ncbi.nlm.nih.gov/22327956

inferred from PubMed ID database lookup

12 December 2020

based on heuristic

Extended X-Ray absorption fine structure from hydrogen atoms in water

1 reference

PubMed

https://pubmed.ncbi.nlm.nih.gov/22327956

inferred from PubMed ID database lookup

12 December 2020

based on heuristic

Intermolecular bond length of ice on Ag(111)

1 reference

PubMed

https://pubmed.ncbi.nlm.nih.gov/22327956

inferred from PubMed ID database lookup

12 December 2020

based on heuristic

Identifiers

DOI

10.1007/S00894-012-1355-X

1 reference

28 February 2018

1 reference

28 February 2018