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1 . Academic Journal
Dynamic and Nondynamic Electron Correlation Energy Decomposition Based on the Node of the Hartree–Fock Slater Determinant.
저자
by
Šulka, Martin
;
Šulková, Katarína
;
Jurečka, Petr
;
Dubecký, Matúš
.
소스
Journal of Chemical Theory & Computation; 11/28/2023, Vol. 19 Issue 22, p8147-8155, 9p
Full Text (ACS)
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6 . Academic Journal
Ab initio study of many-body decomposition of the interaction energy in small beryllium clusters [formula omitted]
저자
by
Šulka, Martin
;
Pitoňák, Michal
;
Černušák, Ivan
;
Urban, Miroslav
;
Neogrády, Pavel
.
소스
In
Chemical Physics Letters
6 June 2013 573:8-14
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7 . Academic Journal
A theoretical study of the kinetics of the forward and reverse reactions HI + CH 3 = I + CH 4
저자
by
Mečiarová, Katarína
;
Šulka, Martin
;
Canneaux, Sébastien
;
Louis, Florent
;
Černušák, Ivan
.
소스
In
Chemical Physics Letters
2011 517(4):149-154
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7 . Report
Facing the challenge of predicting the standard formation enthalpies of n-butyl-phosphate species with ab initio methods
저자
by
Saab, Mohamad
;
Réal, Florent
;
Šulka, Martin
;
Cantrel, Laurent
;
Virot, François
, et al.
소스
Journal of Chemical Physics, 146, 244312 (2017)
Open Access (Arxiv)
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7 . Academic Journal
Exploring water adsorption and reactivity in a series of doped aluminum cluster anions.
저자
by
Šulka, Martin
;
Šulková, Katarína
;
Antušek, Andrej
.
소스
Physical Chemistry Chemical Physics (PCCP); 11/7/2021, Vol. 23 Issue 41, p23896-23908, 13p
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5 . Academic Journal
Fragmentation of natural orbital occupation numbers‐based diagnostic of differential multireference character in complexes with hydrogen bonds.
저자
by
Šulka, Martin
;
Dubecký, Matúš
.
소스
Journal of Computational Chemistry
. 3/15/2021, Vol. 42 Issue 7, p475-483. 9p.
Web of Science
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4 . Academic Journal
Benchmark CCSD(T) and DFT study of binding energies in Be
7 − 12
: in search of reliable DFT functional for beryllium clusters.
저자
by
Labanc, Daniel
;
Šulka, Martin
;
Pitoňák, Michal
;
Černušák, Ivan
;
Urban, Miroslav
, et al.
소스
Molecular Physics
. May2018, Vol. 116 Issue 10, p1259-1274. 16p.
Web of Science
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7 . Academic Journal
Fragmentation of natural orbital occupation numbers-based diagnostic of differential multireference character in complexes with hydrogen bonds
저자
by
Sulka, Martin
;
Dubecky, Matus
.
소스
JOURNAL OF COMPUTATIONAL CHEMISTRY
; DEC 15 2020, 9p.
Scopus
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4 . Academic Journal
Ab initio calculations of NMR shielding of Sc3+, Y3+ and La3+ ions in the water solution and 45Sc, 89Y, 138La and 139La nuclear magnetic dipole moments.
저자
by
Antušek, Andrej
;
Šulka, Martin
.
소스
Chemical Physics Letters
. Sep2016, Vol. 660, p127-131. 5p.
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4 . Academic Journal
TheoreticalStudy of Plutonium(IV) Complexes Formedwithin the PUREX Process: A Proposal of a Plutonium Surrogate in FireConditions.
저자
by
Šulka, Martin
;
Cantrel, Laurent
;
Vallet, Valérie
.
소스
Journal of Physical Chemistry A
. Oct2014, Vol. 118 Issue 43, p10073-10080. 8p.
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