引用次数
引用: 842
H-指数: 14
I10-指数 : 15
出版物: 25
Hydrogen bonding effects on the fluorescence properties of 4′-diethylamino-3-hydroxyflavone in water and water-acetone mixtures
Dóra Hessz , Márton Bojtár , Dávid Mester , Zoltán Szakács
Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy 203 96 -105
12
2018
An uracil-linked hydroxyflavone probe for the recognition of ATP.
Márton Bojtár , Péter Zoltán Janzsó-Berend , Dávid Mester , Dóra Hessz
Beilstein Journal of Organic Chemistry 14 ( 1) 747 -755
6
2018
A Simple Range-Separated Double-Hybrid Density Functional Theory for Excited States.
Dávid Mester , Mihály Kállay
Journal of Chemical Theory and Computation 17 ( 2) 927 -942
32
2021
Reduced-cost second-order algebraic-diagrammatic construction method for excitation energies and transition moments
Dávid Mester , Péter R. Nagy , Mihály Kállay
Journal of Chemical Physics 148 ( 9) 094111
13
2018
The MRCC program system: Accurate quantum chemistry from water to proteins.
Mihály Kállay , Péter R. Nagy , Dávid Mester , Zoltán Rolik
Journal of Chemical Physics 152 ( 7) 074107
58
2020
Adsorption of an active molecule on the surface of halloysite for controlled release application: Interaction, orientation, consequences
József Hári , Péter Polyák , Dávid Mester , Matej Mičušík
Applied Clay Science 132 167 -174
11
2016
Reduced-Scaling Approach for Configuration Interaction Singles and Time-Dependent Density Functional Theory Calculations Using Hybrid Functionals
Dávid Mester , Mihály Kállay
Journal of Chemical Theory and Computation 15 ( 3) 1690 -1704
2
2019
Combined Density Functional and Algebraic-Diagrammatic Construction Approach for Accurate Excitation Energies and Transition Moments.
Dávid Mester , Mihály Kállay
Journal of Chemical Theory and Computation 15 ( 8) 4440 -4453
4
2019
Reduced-Scaling Correlation Methods for the Excited States of Large Molecules: Implementation and Benchmarks for the Second-Order Algebraic-Diagrammatic Construction Approach.
Dávid Mester , Péter R. Nagy , Mihály Kállay
Journal of Chemical Theory and Computation 15 ( 11) 6111 -6126
8
2019
A study on the optical resolution of 1-isopropyl-3-methyl-3-phospholene 1-oxide and its use in the synthesis of borane and platinum complexes
Péter Bagi , Kinga Juhász , István Timári , Katalin E. Kövér
Journal of Organometallic Chemistry 797 140 -152
15
2015
Reduced-cost linear-response CC2 method based on natural orbitals and natural auxiliary functions.
Dávid Mester , Péter R. Nagy , Mihály Kállay
Journal of Chemical Physics 146 ( 19) 194102
22
2017
Double-hybrid density functional theory for core excitations: Theory and benchmark calculations
Dávid Mester , Mihály Kállay
Journal of Chemical Theory and Computation 19 ( 4) 1310 -1321
2023
Performance of multilevel methods for excited states
Bence Hégely , Ádám B Szirmai , Dávid Mester , Attila Tajti
The Journal of Physical Chemistry A 126 ( 37) 6548 -6557
6
2022
Unconventional bond functions for quantum chemical calculations
Dávid Mester , József Csontos , Mihály Kállay
Péter R. Surján: A Festschrift from Theoretical Chemistry Accounts 205 -217
7
2016
Charge-transfer excitations within density functional theory: How accurate are the most recommended approaches?
Dávid Mester , Mihály Kállay
Journal of Chemical Theory and Computation 18 ( 3) 1646 -1662
49
2022
Spin-scaled range-separated double-hybrid density functional theory for excited states
Dávid Mester , Mihaly Kallay
Journal of Chemical Theory and Computation 17 ( 7) 4211 -4224
24
2021
Accurate spectral properties within double-hybrid density functional theory: a spin-scaled range-separated second-order algebraic-diagrammatic construction-based approach
Dávid Mester , Mihály Kállay
Journal of Chemical Theory and Computation 18 ( 2) 865 -882
15
2022
Vertical Ionization Potentials and Electron Affinities at the Double-Hybrid Density Functional Level
Dávid Mester , Mihály Kállay
Journal of Chemical Theory and Computation 19 ( 13) 3982 -3995
4
2023
Photochemistry of a water-soluble coumarin-based photoswitch
Dóra Hessz , Etelka Kiss , Márton Bojtár , Attila Kunfi
Dyes and Pigments 221 111821 -111821
1
2024
Basis Set Limit of CCSD (T) Energies: Explicit Correlation Versus Density-Based Basis-Set Correction
Dávid Mester , Mihály Kállay
Journal of Chemical Theory and Computation 19 ( 22) 8210 -8222
1
2023