(Q42385469)

29 October 2017

Theoretical study on the complexes of benzene with isoelectronic nitrogen-containing heterocycles (English)

1 reference

29 October 2017

1 reference

Weizhou Wang

1

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Pavel Hobza

object named as

Pavel Hobza

series ordinal

2

0 references

publication date

1 May 2008

1 reference

29 October 2017

1 reference

29 October 2017

9

1 reference

29 October 2017

7

1 reference

29 October 2017

1003-1009

1 reference

C-H stretching vibrational shift of benzene dimer: consistency of experiment and calculation

29 October 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2970914

High-accuracy quantum mechanical studies of pi-pi interactions in benzene dimers

28 May 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2970914

Estimates of the ab initio limit for pi-pi interactions: the benzene dimer

28 May 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2970914

Understanding of assembly phenomena by aromatic-aromatic interactions: benzene dimer and the substituted systems

28 May 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2970914

An experimental value for the B(1u) C-H stretch mode in benzene.

16 August 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2970914

Efficient exact exchange approximations in density-functional theory

16 August 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2970914

On the correlation between bond-length change and vibrational frequency shift in hydrogen-bonded complexes: a computational study of Y...HCl dimers (Y = N2, CO, BF).

16 August 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2970914

Density-functional theory-symmetry-adapted intermolecular perturbation theory with density fitting: a new efficient method to study intermolecular interaction energies

16 August 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2970914

Substituent effects in pi-pi interactions: sandwich and T-shaped configurations.

16 August 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2970914

Electronic basis of improper hydrogen bonding: a subtle balance of hyperconjugation and rehybridization.

16 August 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2970914

Toward true DNA base-stacking energies: MP2, CCSD(T), and complete basis set calculations

16 August 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2970914

Origin of attraction and directionality of the pi/pi interaction: model chemistry calculations of benzene dimer interaction

16 August 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2970914

Blue-Shifting Hydrogen Bonds.

16 August 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2970914

Benchmark database of accurate (MP2 and CCSD(T) complete basis set limit) interaction energies of small model complexes, DNA base pairs, and amino acid pairs

16 August 2018

1 reference

PubMed

https://pubmed.ncbi.nlm.nih.gov/18389512

12 December 2020

inferred from PubMed ID database lookup

The nature of .pi.-.pi. interactions

1 reference

https://api.crossref.org/works/10.1002%2FCPHC.200700587

7 January 2021

Interactions with aromatic rings in chemical and biological recognition

1 reference

https://api.crossref.org/works/10.1002%2FCPHC.200700587

7 January 2021

The rotational spectrum, structure and dynamics of a benzene dimer

1 reference

https://api.crossref.org/works/10.1002%2FCPHC.200700587

7 January 2021

A critical account on π–π stacking in metal complexes with aromatic nitrogen-containing ligands †

1 reference

https://api.crossref.org/works/10.1002%2FCPHC.200700587

7 January 2021

Intermolecular interactions between benzene and 1,3,5-triazine: a new tool for crystal engineering and molecular recognition

1 reference

https://api.crossref.org/works/10.1002%2FCPHC.200700587

7 January 2021

Anti-Hydrogen Bond in the Benzene Dimer and Other Carbon Proton Donor Complexes

1 reference

https://api.crossref.org/works/10.1002%2FCPHC.200700587

7 January 2021

Potential Energy Surface for the Benzene Dimer. Results ofab InitioCCSD(T) Calculations Show Two Nearly Isoenergetic Structures: T-Shaped and Parallel-Displaced

1 reference

https://api.crossref.org/works/10.1002%2FCPHC.200700587

7 January 2021

Potential Energy Surface of the Benzene Dimer: Ab Initio Theoretical Study

1 reference

https://api.crossref.org/works/10.1002%2FCPHC.200700587

7 January 2021

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

1 reference

https://api.crossref.org/works/10.1002%2FCPHC.200700587

7 January 2021

Perturbation Theory Approach to Intermolecular Potential Energy Surfaces of van der Waals Complexes

1 reference

https://api.crossref.org/works/10.1002%2FCPHC.200700587

7 January 2021

Identifiers

DOI

10.1002/CPHC.200700587

1 reference

29 October 2017

1 reference

PMC publication ID

2970914

29 October 2017

PubMed publication ID

18389512

1 reference

PMC publication ID

2970914