• 5853 Citations
  • 33 h-Index
19972020

Research output per year

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Research Output

  • 5853 Citations
  • 33 h-Index
  • 122 Article
  • 1 Comment/debate
  • 1 Review article
2020
Open Access
1 Citation (Scopus)

The MRCC program system: Accurate quantum chemistry from water to proteins

Kállay, M., Nagy, P. R., Mester, D., Rolik, Z., Samu, G., Csontos, J., Csóka, J., Szabó, P. B., Gyevi-Nagy, L., Hégely, B., Ladjánszki, I., Szegedy, L., Ladóczki, B., Petrov, K., Farkas, M., Mezei, P. D. & Ganyecz, Á., febr. 21 2020, In : Journal of Chemical Physics. 152, 7, 074107.

Research output: Article

Open Access
1 Citation (Scopus)
2019
7 Citations (Scopus)
3 Citations (Scopus)
2 Citations (Scopus)
Open Access
1 Citation (Scopus)
3 Citations (Scopus)
Open Access
1 Citation (Scopus)
1 Citation (Scopus)
Open Access

Synthesis and characterization of isophorondiamine-based oligoamides: catalytic effect of amides during the curing of epoxy resins

Kárpáti, L., Ganyecz, Á., Nagy, T., Hamar, G., Banka, E., Kállay, M. & Vargha, V., jan. 1 2019, (Accepted/In press) In : Polymer Bulletin.

Research output: Article

Open Access
1 Citation (Scopus)

Thermochemistry of Uracil, Thymine, Cytosine, and Adenine

Ganyecz, Á., Kállay, M. & Csontos, J., máj. 9 2019, In : Journal of Physical Chemistry A. 123, 18, p. 4057-4067 11 p.

Research output: Article

2018

An uracil-linked hydroxyflavone probe for the recognition of ATP

Bojtár, M., Janzsó-Berend, P. Z., Mester, D., Hessz, D., Kállay, M., Kubinyi, M. & Bitter, I., 2018, In : Beilstein Journal of Organic Chemistry. 14, p. 747-755 9 p.

Research output: Article

4 Citations (Scopus)

Asymmetric cyclopropanation reactions catalyzed by carbohydrate-based crown ethers

Rapi, Z., Nemcsok, T., Grün, A., Pálvölgyi, Á., Samu, G., Hessz, D., Kubinyi, M., Kállay, M., Keglevich, G. & Bakó, P., jan. 1 2018, (Accepted/In press) In : Tetrahedron.

Research output: Article

8 Citations (Scopus)
1 Citation (Scopus)

Experimental evidence of TICT state in 4-piperidinyl-1,8-naphthalimide-a kinetic and mechanistic study

Szakács, Z., Rousseva, S., Bojtár, M., Hessz, D., Bitter, I., Kállay, M., Hilbers, M., Zhang, H. & Kubinyi, M., jan. 1 2018, In : Physical Chemistry Chemical Physics. 20, 15, p. 10155-10164 10 p.

Research output: Article

8 Citations (Scopus)
6 Citations (Scopus)
3 Citations (Scopus)
11 Citations (Scopus)
8 Citations (Scopus)
2017

Accurate Theoretical Thermochemistry for Fluoroethyl Radicals

Ganyecz, Á., Kállay, M. & Csontos, J., febr. 9 2017, In : Journal of Physical Chemistry A. 121, 5, p. 1153-1162 10 p.

Research output: Article

4 Citations (Scopus)

Efficient evaluation of three-center Coulomb integrals

Samu, G. & Kállay, M., máj. 28 2017, In : Journal of Chemical Physics. 146, 20, 204101.

Research output: Article

5 Citations (Scopus)
20 Citations (Scopus)

Moderate-Cost Ab Initio Thermochemistry with Chemical Accuracy

Ganyecz, Á., Kállay, M. & Csontos, J., szept. 12 2017, In : Journal of chemical theory and computation. 13, 9, p. 4193-4204 12 p.

Research output: Article

10 Citations (Scopus)
30 Citations (Scopus)
18 Citations (Scopus)

Theoretical study on the photooxygenation and photorearrangement reactions of 3-hydroxyflavone

Szakács, Z., Kállay, M. & Kubinyi, M., jan. 1 2017, In : RSC Advances. 7, 51, p. 32185-32192 8 p.

Research output: Article

7 Citations (Scopus)
2016

A Double-Clicking Bis-Azide Fluorogenic Dye for Bioorthogonal Self-Labeling Peptide Tags

Demeter, O., Fodor, E. A., Kállay, M., Mez, G., Németh, K., Szabó, P. T. & Kele, P., ápr. 25 2016, In : Chemistry - A European Journal. 22, 18, p. 6382-6388 7 p.

Research output: Article

15 Citations (Scopus)
13 Citations (Scopus)

Enthalpy Differences of the n-Pentane Conformers

Csontos, J., Nagy, B., Gyevi-Nagy, L., Kállay, M. & Tasi, G., jún. 14 2016, In : Journal of chemical theory and computation. 12, 6, p. 2679-2688 10 p.

Research output: Review article

5 Citations (Scopus)
37 Citations (Scopus)

Melt stabilization of polyethylene with dihydromyricetin, a natural antioxidant

Kirschweng, B., Bencze, K., Sárközi, M., Hégely, B., Samu, G., Hári, J., Tátraaljai, D., Földes, E., Kállay, M. & Pukánszky, B., nov. 1 2016, In : Polymer Degradation and Stability. 133, p. 192-200 9 p.

Research output: Article

10 Citations (Scopus)

Supramolecular FRET modulation by pseudorotaxane formation of a ditopic stilbazolium dye and carboxylato-pillar[5]arene

Bojtár, M., Szakács, Z., Hessz, D., Bazsó, F. L., Kállay, M., Kubinyi, M. & Bitter, I., okt. 1 2016, In : Dyes and Pigments. 133, p. 415-423 9 p.

Research output: Article

8 Citations (Scopus)
10 Citations (Scopus)
7 Citations (Scopus)
12 Citations (Scopus)
5 Citations (Scopus)
10 Citations (Scopus)

Construction and Application of a New Dual-Hybrid Random Phase Approximation

Mezei, P. D., Csonka, G. I., Ruzsinszky, A. & Kállay, M., okt. 13 2015, In : Journal of chemical theory and computation. 11, 10, p. 4615-4626 12 p.

Research output: Article

33 Citations (Scopus)
56 Citations (Scopus)

Synthesis and Evaluation of Nicotinic Acid Derived Tetrazines for Bioorthogonal Labeling

Cserép, G. B., Demeter, O., Bätzner, E., Kállay, M., Wagenknecht, H. A. & Kele, P., szept. 16 2015, In : Synthesis (Germany). 47, 18, p. 2738-2744 7 p.

Research output: Article

15 Citations (Scopus)

Theoretical and thermochemical network approaches to determine the heats of formation for HO2 and its ionic counterparts

Ganyecz, Á., Csontos, J., Nagy, B. & Kállay, M., febr. 19 2015, In : Journal of Physical Chemistry A. 119, 7, p. 1164-1176 13 p.

Research output: Article

6 Citations (Scopus)

The π-electron delocalization in 2-oxazolines revisited: Quantification and comparison with its analogue in esters

Fimberger, M., Luef, K. P., Payerl, C., Fischer, R. C., Stelzer, F., Kállay, M. & Wiesbrock, F., jan. 1 2015, In : Materials. 8, 8, p. 5385-5397 13 p.

Research output: Article

3 Citations (Scopus)

Unconventional bond functions for quantum chemical calculations

Mester, D., Csontos, J. & Kállay, M., jún. 16 2015, In : Theoretical Chemistry Accounts. 134, 6

Research output: Article

6 Citations (Scopus)
2014
6 Citations (Scopus)