ISSN: 2210-271X

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Computational and Theoretical Chemistry Q2 Unclaimed

Elsevier B.V. Netherlands

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Computational and Theoretical Chemistry is a journal indexed in SJR in Biochemistry and Condensed Matter Physics with an H index of 98. It has an SJR impact factor of 0,405 and it has a best quartile of Q2. It has an SJR impact factor of 0,405.

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Publication frecuency: -

Categories: Condensed Matter Physics (Q2) Biochemistry (Q3) Physical and Theoretical Chemistry (Q3)

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Metrics

0,405

SJR Impact factor

98

H Index

356

Total Docs (Last Year)

895

Total Docs (3 years)

19885

Total Refs

2448

Total Cites (3 years)

894

Citable Docs (3 years)

2.83

Cites/Doc (2 years)

55.86

Ref/Doc

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Aims and Scope

Best articles by citations

The structure and large nonlinear optical properties of a novel octupolar electride Li@36Adz

The axiomatic approach to chemical concepts

NBO analysis of polar and steric effect using the axial-equatorial equilibrium of cyclohexyl acetates as a probe

Perspectives on halogen bonding and other s-hole interactions: Lex parsimoniae (Occam's Razor)

Intermolecular hydrogen bonding interactions of furan, isoxazole and oxazole with water

Twelve outstanding problems in ground-state density functional theory: A bouquet of puzzles

A theoretical study of the DMS¬?OH scavenging reaction by OH. Its relevance in DMSO formation

Photochromic properties of a dithienylethene-indolinooxazolidine switch: A theoretical investigation

Spectroscopic parameter and molecular constant investigations for low-lying electronic states of P2 molecule

Mechanism of the phase transition in GaN under pressure up to 100GPa

Ab initio molecular dynamics simulation on SiN+CH and SiC+NH reactions

The reaction: Current status and prospective work

SHOW MORE ARTICLES

A theoretical study on structures, stabilities, and potential energy surfaces of planar BnP2 (n=1-7)

Electrical characteristics of Au substituted 2,6-Bis-phenylethynyl-dithieno[3,2-b;2',3'-d]thiophene (BPDTT) molecule against external electric fields: A quantum chemical and charge density study

Extracting chemical information from initial partial charges and electronic properties of reactants to predict order of chemical reactivity: Heterogeneous catalytic hydrogenation of homologue R-CO-X carbonyl compounds

Photoinduced electron transfer from aromatic amino acids to the excited isoalloxazine in single mutated flavin mononucleotide binding proteins: Effect of the dimer formation on the rate and the electrostatic energy inside the proteins

Harnessing aromaticity to design of phosphazene and ylidophosphorane superbases: A theoretical study

Density functional studies of the fluorine-terminated boron nitride nanotubes through computations of quadrupole coupling constants

Theoretical approach of the mechanism of the reactions of chlorine atoms with aliphatic aldehydes

Effect of heteroatoms substitution on electronic, photophysical and charge transfer properties of naphtha [2,1-b:6,5-b'] difuran analogues by density functional theory

Asymmetric electron transport through a conjugated-saturated hydrocarbon molecular wire

Computational modelling of gold complexes using density functional theory

Computational modelling of interactions between gold complexes and silicates

Path integral molecular dynamics for hydrogen adsorption site of zeolite-templated carbon with semi-empirical PM3 potential