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  1. TitleOn the physical origins of interaction-induced vibrational (hyper)polarizabilities
    Author infoRobert Zaleśny ... [et al.]
    Author Zaleśny Robert 1977- (40%)
    Co-authors Garcia-Borràs Marc (15%)
    Góra Robert W. (15%)
    Medveď Miroslav 1971- (15%) UMBFP08 - Katedra chémie
    Luis Josep M. (15%)
    Source document Physical Chemistry Chemical Physics. Vol. 18, no. 32 (2016), pp. 22467-22477. - Cambridge : The Royal Society of Chemistry (RSC), 2016
    Keywords fyzika - physics   polarizability   polarizabilities  
    LanguageEnglish
    CountryGreat Britian
    systematics 53
    AnnotationThis paper presents the results of a pioneering exploration of the physical origins of vibrational contributions to the interaction-induced electric properties of molecular complexes. In order to analyze the excess nuclear relaxation (hyper)polarizabilities, a new scheme was proposed which relies on the computationally efficient Bishop-Hasan-Kirtman method for determining the nuclear relaxation contributions to electric properties. The extension presented herein is general and can be used with any interaction-energy partitioning method. As an example, in this study we employed the variational-perturbational interaction-energy decomposition scheme (at the MP2/aug-cc-pVQZ level) and the extended transition state method by employing three exchange-correlation functionals (BLYP, LC-BLYP, and LC-BLYP-dDsC) to study the excess properties of the HCN dimer. It was observed that the first-order electrostatic contribution to the excess nuclear relaxation polarizability cancels with the negative exchange repulsion term out to a large extent, resulting in a positive value of Delta alpha(nr) due to the contributions from the delocalization and the dispersion terms. In the case of the excess nuclear relaxation first hyperpolarizability, the pattern of interaction contributions is very similar to that for Delta alpha(nr), both in terms of their sign as well as relative magnitude. Finally, our results show that the LC-BLYP and LC-BLYP-dDsC functionals, which yield smaller values of the orbital relaxation term than BLYP, are more successful in predicting excess properties.
    Public work category ADC
    No. of Archival Copy37521
    Catal.org.BB301 - Univerzitná knižnica Univerzity Mateja Bela v Banskej Bystrici
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  2. TitleElectric properties of the low-lying excited states of benzonitrile: geometry relaxation and solvent effects
    Author infoMiroslav Medveď, Šimon Budzák, Tadeusz Pluta
    Author Medveď Miroslav 1971- (40%) UMBFP08 - Katedra chémie
    Co-authors Budzák Šimon 1982- (30%) UMBFP08 - Katedra chémie
    Pluta Tadeusz (30%)
    Source document Theoretical Chemistry Accounts. Vol. 134, no. 6 (2015), pp. [1-14]. - Heidelberg : Springer Verlag, 2015
    Keywords excited states   dipole moment   polarizability   solvent effects   excitované stavy   dipólový moment   polarizovateľnosť   solvatačné efekty  
    LanguageEnglish
    CountryUnited States of America
    systematics 54
    Public work category ADC
    No. of Archival Copy33190
    Repercussion category NANDA, Kaushik D. - KRYLOV, Anna I. Static polarizabilities for excited states within the spin-conserving and spin-flipping equation-of-motion coupled-cluster singles and doubles formalism : theory, implementation, and benchmarks. In Journal of chemical physics. ISSN 0021-9606, 2016, vol. 145, no. 20, pp. [1-16].
    HEID, Esther - HUNT, Patricia A. - SCHROEDER, Christian. Evaluating excited state atomic polarizabilities of chromophores. In Physical chemistry chemical physics. ISSN 1463-9076, 2018, vol. 20, no. 13, pp. 8554-8563.
    HEID, Esther - SZABADI, Andras - SCHROEDER, Christian. Quantum mechanical determination of atomic polarizabilities of ionic liquids. In Physical chemistry chemical physics. ISSN 1463-9076, 2018, vol. 20, no. 16, pp. 10992-10996.
    BLUNT, Nick S. - NEUSCAMMAN, Eric. Excited-state diffusion Monte Carlo calculations : a simple and efficient two-determinant Ansatz. In Journal of chemical theory and computation. ISSN 1549-9618, 2019, vol. 15, no. 1, pp. 178-189.
    SHARIPOV, Alexander S. - LOUKHOVITSKI, Boris I. - PELEVKIN, Alexey V. - KOBTSEV, Vitaly D. - KOZLOV, Dimitrii N. Polarizability of electronically excited molecular oxygen : theory and experiment. In Journal of physics B : atomic molecular and optical ISSN 0953-4075, 2019, vol. 52, no. 4.
    SHARIPOV, Alexander S. - LOUKHOVITSKI, Boris I. Small atomic clusters : quantum chemical research of isomeric composition and physical properties. In Structural chemistry. ISSN 1040-0400, 2019, vol. 30, no. 6, pp. 2057-2084.
    SCHEURER, Maximilian - FRANSSON, Thomas - NORMAN, Patrick - DREUW, Andreas - REHN, Dirk R. Complex excited state polarizabilities in the ADC/ISR framework. In Journal of chemical physics. ISSN 0021-9606, 2020, vol. 153, no. 7, pp. [1-22].
    LUKHOVITSKII, B. - SHARIPOV, A. S. - ARSENT'EV, I. - KUZMITSKII, V. V. - PENYAZKOV, O. G. On the refractive index of a gas under high-thermal-nonequilibrium conditions. In Journal of engineering physics and thermophysics. ISSN 1062-0125, 2020, vol. 93, no. 4, pp. 850-857.
    Catal.org.BB301 - Univerzitná knižnica Univerzity Mateja Bela v Banskej Bystrici
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  3. TitleUnveiling solvents effect on excited-state polarizabilities with the corrected linear-response model
    Author infoŠimon Budzák ... [et al.]
    Author Budzák Šimon 1982- (25%) UMBFP08 - Katedra chémie
    Co-authors Medveď Miroslav 1971- (25%) UMBFP08 - Katedra chémie
    Mennucci Benedetta (25%)
    Jacquemin Denis (25%)
    Source document The Journal of Physical Chemistry A. Vol. 118, no. 30 (2014), pp. 5652-5656. - Washington : The American Chemical Society, 2014
    Keywords excitované stavy   polarizovateľnosť   efekt rozpúšťadla   excited states   polarizability   solvent effect  
    LanguageEnglish
    CountryUnited States of America
    systematics 54
    Public work category ADC
    No. of Archival Copy30696
    Repercussion category PETRONE, Alessio - CEREZO, Javier - AVILA FERRER, Francisco J. et al. Absorption and emission spectral shapes of a prototype dye in water by combining classical/dynamical and quantum/static approaches. In Journal of physical chemistry A. ISSN 1089-5639, 2015, vol. 119, no. 21, pp. 5426-5438.
    HEID, Esther - HUNT, Patricia A. - SCHROEDER, Christian. Evaluating excited state atomic polarizabilities of chromophores. In Physical chemistry chemical physics. ISSN 1463-9076, 2018, vol. 20, no. 13, pp. 8554-8563.
    SAMANI, Mandana Tarakame - HASHEMIANZADEH, Seyed Majid. Study of solvent effect on thermodynamic stability and electron efficiency of MZ-341 dye. In Journal of molecular liquids. ISSN 0167-7322, 2019, vol. 273, pp. 27-32.
    GIOVANNINI, Tommaso - RISO, Rosario Roberto - AMBROSETTI, Matteo - PUGLISI, Alessandra - CAPPELLI, Chiara. Electronic transitions for a fully polarizable QM/MM approach based on fluctuating charges and fluctuating dipoles : linear and corrected linear response regimes. In Journal of chemical physics. ISSN 0021-9606, 2019, vol. 151, no. 17, pp. 1-14.
    BIAGGNE, Austin - KNOWLTON, William B. - YURKE, Bernard - LEE, Jeunghoon - LI, Lan. Substituent effects on the solubility and electronic properties of the cyanine dye Cy5 : density functional and time-dependent density functional theory calculations. In Molecules. ISSN 1420-3049, 2021, vol. 26, no. 3, pp. 1-15.
    HEID, Esther - HEINDL, Moritz - DIENSTL, Patricia - SCHROEDER, Christian. Additive polarizabilities of halides in ionic liquids and organic solvents. In Journal of chemical physics. ISSN 0021-9606, 2018, vol. 149, no. 4.
    Catal.org.BB301 - Univerzitná knižnica Univerzity Mateja Bela v Banskej Bystrici
    Databasexpca - PUBLIKAČNÁ ČINNOSŤ
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    ReferencesPERIODIKÁ-Súborný záznam periodika
    unrecognised

    unrecognised

  4. TitleDipole moment and polarizability of the low-lying excited states of uracil
    Author infoTadeusz Pluta ... [et al.]
    Author Pluta Tadeusz (25%)
    Co-authors Kolaski Maciej (25%)
    Medveď Miroslav 1971- (25%) UMBFP08 - Katedra chémie
    Budzák Šimon 1982- (25%) UMBFP08 - Katedra chémie
    Source document Chemical physics letters. Vol. 546 (2012), pp. 24-29. - Amsterdam : Elsevier B.V., 2012
    Keywords uracil   dipólový moment   polarizovateľnosť   excitované stavy   dipole moment   polarizability   excited states  
    LanguageEnglish
    CountryNetherlands
    systematics 54
    Public work category ADC
    No. of Archival Copy23320
    Repercussion category ALPARONE, Andrea. Response electric properties of alpha-helix polyglycines : A CAM-B3LYP DFT investigation. In Chemical physics letters. ISSN 0009-2614, 2013, vol. 563, pp. 88-92.
    ALPARONE, Andrea. Linear and nonlinear optical properties of nucleic acid bases. In Chemical physics. ISSN 0301-0104, 2013, vol. 410, pp. 90-98.
    ALPARONE, A. Evolution of electric dipole (Hyper)polarizabilities of β-strand polyglycine single chains : an Ab initio and DFT theoretical study. In Journal of physical chemistry A. ISSN 1089-5639, 2013, vol. 117, no. 24, pp. 5184-5194.
    ALPARONE, Andrea. Static and dynamic electronic (Hyper)polarizabilities of dimethylnaphthalene isomers : characterization of spatial contributions by density analysis. In Scientific world journal. ISSN 1537-744X, 2013, art. no. 832682, pp. 1-10.
    SUN, Shuai - BROWN, Alex. Simulation of the resonance Raman spectrum for uracil. In Journal of physical chemistry A. ISSN 1089-5639, 2014, vol. 118, no. 39, pp. 9228-9238.
    ALPARONE, Andrea. Theoretical study on the static and dynamic first-order hyperpolarisabilities of adenine tautomers. In Molecular physics. ISSN 0026-8976, 2014, vol. 112, no. 13, pp. 1755-1760.
    ALPARONE, Andrea. Solvation effects on the static and dynamic first-order electronic and vibrational hyperpolarizabilities of uracil : a polarized continuum model investigation. In Scientific world journal. ISSN 1537-744X, 2013, art. no. 652124, pp. 1-8.
    FRANZ, Jan - GIANTURCO, Franco A. - BACCARELLI, Isabella. Low-energy positron scattering from gas-phase uracil. In European physical journal D. ISSN 1434-6060, 2014, vol. 68, no. 7, art. no. 183, pp. 1-9.
    ANDERSON, E. K. - BOADLE, R. A. - MACHACEK, J. R. - CHIARI, L. - MAKOCHEKANWA, C. - BUCKMAN, S. J. - BRUNGER, M. J. - GARCIA, G. - BLANCO, F. - INGOLFSSON, O. - SULLIVAN, J. P. Low energy positron interactions with uracil-total scattering, positronium formation, and differential elastic scattering cross sections. In Journal of chemical physics. ISSN 0021-9606, 2014, vol. 141, no. 3, pp. [1-9].
    GRAF, Nora K. - FRIESE, Daniel H. - WINTER, Nina O. C. - HAETTIG, Christof. Excited state polarizabilities for CC2 using the resolution-of-the-identity approximation. In Journal of chemical physics. ISSN 0021-9606, 2015, vol. 143, no. 24.
    HADJI, Djebar - RAHMOUNI, Ali. Molecular structure, linear and nonlinear optical properties of some cyclic phosphazenes : a theoretical investigation. In Journal of molecular structure. ISSN 0022-2860, 2016, vol. 1106, pp. 343-351.
    MACHACEK, J. R. - BLANCO, F. - GARCIA, G. - BUCKMAN, S. J. - SULLIVAN, J. P. Regularities in positronium formation for atoms and molecules. In Journal of physics B : atomic molecular and optical physics. ISSN 0953-4075, 2016, vol. 49, no. 6.
    NANDA, Kaushik D. - KRYLOV, Anna I. Static polarizabilities for excited states within the spin-conserving and spin-flipping equation-of-motion coupled-cluster singles and doubles formalism : theory, implementation, and benchmarks. In Journal of chemical physics. ISSN 0021-9606, 2016, vol. 145, no. 20, pp. [1-16].
    MA, Yingjin - KNECHT, Stefan - REIHER, Markus. Multiconfigurational effects in theoretical resonance raman spectra. In ChemPhysChem. ISSN 1439-4235, 2017, vol. 18, no. 4, pp. 384-393.
    LARA, A. - RIQUELME, M. - VOHRINGER-MARTINEZ, E. Partition coefficients of methylated DNA bases obtained from free energy calculations with molecular electron density derived atomic charges. In Journal of computational chemistry. ISSN 0192-8651, 2018, vol. 39, no. 22, pp. 1728-1737.
    RIQUELME, Maximilian - LARA, Alejandro - MOBLEY, David L. - VERSTRAELEN, Toon - MATAMALA, Adelio R. - VOHRINGER-MARTINEZ, Esteban. Hydration free energies in the FreeSolv database calculated with polarized iterative hirshfeld charges. In Journal of chemical information and modeling. ISSN 1549-9596, 2018, vol. 58, no. 9, pp. 1779-1797.
    CHOLUJ, Marta - KOZLOWSKA, Justyna - BARTKOWIAK, Wojciech. Benchmarking DFT methods on linear and nonlinear electric properties of spatially confined molecules. In International journal of quantum chemistry. ISSN 0020-7608, 2018, vol. 118, no. 17.
    KURONUMA, Makoto - SATO, Takehito - ARAKI, Yasuyuki - MORI, Tadashi - SAKAMOTO, Seiji - INOUE, Yoshihisa - ITO, Osamu - WADA, Takehiko. Transient circular dichroism measurement of the excited triplet state of pristine hexahelicene in solution at room temperature. In Chemistry letters. ISSN 0366-7022, 2019, vol. 48, no. 4, pp. 357-360.
    KOZLOWSKA, Justyna - LIPKOWSKI, Pawel - ROZTOCZYNSKA, Agnieszka - BARTKOWIAK, Wojciech. DFT and spatial confinement : a benchmark study on the structural and electrical properties of hydrogen bonded complexes. In Physical chemistry chemical physics. ISSN 1463-9076, 2019, vol. 21, no. 31, pp. 17253-17273.
    Catal.org.BB301 - Univerzitná knižnica Univerzity Mateja Bela v Banskej Bystrici
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  5. TitleMP2 and DFT study of IR spectra of TCNE-methylsubstituted benzene complexes: Is charge transfer important?
    Author infoOndrej Kyseľ ...[et al.]
    Author Kyseľ Ondrej 1937- (25%)
    Co-authors Budzák Šimon 1982- (25%) UMBFP08 - Katedra chémie
    Mach Pavel (25%)
    Medveď Miroslav 1971- (25%) UMBFP08 - Katedra chémie
    Source document International Journal of Quantum Chemistry. Vol. 110, no. 9 (2010), pp. 1712-1728. - Hoboken : Wiley-Blackwell, 2010
    Keywords komplexy metylbenzénu - TCNE   dipólový moment   polarizovateľnosť   methylbenzene-TCNE complexes   dipole moment   polarizability   MP2 metóda   infračervené spektrum   IR spectra  
    LanguageEnglish
    CountryUnited States of America
    systematics 54
    Public work category ADC
    No. of Archival Copy15634
    Repercussion category BIEDERMANN, Frank - SCHERMAN, Oren A. Cucurbit[8]uril mediated donor-acceptor ternary complexes : a model system for studying charge-transfer interactions. In Journal of physical chemistry B. ISSN 1520-6106, 2012, vol. 116, no. 9, pp. 2842-2849.
    KUCHENBECKER, Dennis - JANSEN, Georg. Intermolecular interactions in weak donor-acceptor complexes from symmetry-adapted perturbation and coupled-cluster theory : tetracyanoethylene-benzene and tetracyanoethylene-p-Xylene. In Chemphyschem. ISSN 1439-4235, 2012, vol. 13, no. 11, pp. 2769-2776.
    CHIU, Chih-Chung - HUNG, Chih-Chang - CHEN, Chien-Lin - CHENG, Po-Yuan. Ultrafast time-resolved broadband fluorescence studies of the benzene-tetracyanoethylene complex : solvation, vibrational relaxation, and charge recombination dynamics. In Journal of physical chemistry B. ISSN 1520-6106, 2013, vol. 117, no. 33, pp. 9734-9756.
    CHIU, Chih-Chung - HUNG, Chih-Chang - CHENG, Po-Yuan. Ultrafast charge recombination dynamics in ternary electron donor-acceptor complexes : (benzene)(2)-tetracyanoethylene complexes. In Journal of physical chemistry B. ISSN 1520-6106, 2016, vol. 120, no. 48, pp. 12390-12403.
    MONEZI, Natalia M. - ANDO, Romulo A. Spectroscopic characterization of charge transfer complexes of TCNE with aromatic amines the first step of tricyanovinylation reaction. In Journal of the Brazilian chemical society. ISSN 0103-5053, 2017, vol. 28, no. 9, pp. 1665-1672.
    DOMINGO, Luis R. - RIOS-GUTIERREZ, Mar. On the nature of organic electron density transfer complexes within molecular electron density theory. In Organic and biomolecular chemistry. ISSN 1477-0520, 2019, vol. 17, no. 26, pp. 6478-6488.
    PETRUSHENKO, I. K. - PETRUSHENKO, K. B. Absorption properties of a BODIPY-curved graphene nanoflake system : a theoretical investigation. In Spectrochimica acta. Part A : molecular and biomolecular spectroscopy. ISSN 1386-1425, 2020, vol. 224, art. no. 117465, pp. 1-14.
    Catal.org.BB301 - Univerzitná knižnica Univerzity Mateja Bela v Banskej Bystrici
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  6. TitleBenchmark calculations of some molecular properties of O2, CN and other selected small radicals using the ROHF-CCSD(T) method
    Par.titlePorovnávacie výpočty niektorých molekulových vlastností O2, CN a niekoľkých ďalších malých radikálov použitím ROHF-CCSD(T) metódy
    Author infoPavel Neogrády, Miroslav Medveď, Ivan Černušák, Miroslav Urban
    Co-authors Neogrády Pavel (25%%)
    Another authors Medveď Miroslav 1971- (25%%) UMBFP08 - Katedra chémie
    Černušák Ivan (Author) (25%%)
    Urban Miroslav (Author) (25%%)
    Source document Molecular Physics. Vol. 100, no. 5 (2002), pp. 541-560. - Abingdon : Taylor & Francis Group, 2002
    Keywords radikály   CCSD(T) metóda   elektrónová afinita   polarizovateľnosť   radicals   CCSD(T) method   electron affinities   polarizability  
    LanguageEnglish
    systematics 54
    Public work category ADC
    No. of Archival Copy7012
    Repercussion category JIANG, Wanyi - DEYONKER, Nathan J. - WILSON, Angela K. Multireference character for 3d transition-metal-containing molecules. In Journal of chemical theory and computation. ISSN 1549-9618, 2012, vol. 8, no. 2, pp. 460-468.
    BALABIN, Roman M. On the relation between basis set convergence and electron correlation : a critical test for modern ab initio quantum chemistry on a "mindless" data set. In Structural chemistry. ISSN 1040-0400, 2011, vol. 22, no. 5, pp. 1047-1051.
    RAVICHANDRAN, Lalitha - VAVAL, Nayana - PAL, Sourav. Effect of triples to dipole moments in Fock-space multireference coupled cluster method. In Journal of chemical theory and computation. ISSN 1549-9618, 2011, vol. 7, no. 4, pp. 876-883.
    RADON, Mariusz - BROCLAWIK, Ewa - PIERLOOT, Kristine. DFT and Ab initio study of iron-oxo porphyrins : may they have a low-lying iron(V)-oxo electromer? In Journal of chemical and computation. ISSN 1549-9618, 2011, vol. 7, no. 4, pp. 898-908.
    DRAINE, B.T. Physics of the interstellar and intergalactic medium. In Physics of interstellar and intergalactic medium. Princeton : Princeton University Press, 2011. ISBN 978-0-691-12213-7, pp. 1-540.
    McCARROLL, Ronald. Influence of internal rotation on exothermic reactions between neutral molecules at low temperatures. In Journal of physical chemistry A. ISSN 1089-5639, 2009, vol. 113, no. 52, pp. 14845-14850.
    LORIOT, V. - HERTZ, E. - FAUCHER, O. - LAVOREL, B. Measurement of high order Kerr refractive index of major air components. In Optics express. ISSN 1094-4087, 2009, vol. 17, no. 16, pp. 13429-13434.
    HAMMOND, Jeff R. - DE JONG, Wibe A. - KOWALSKI, Karol. Coupled-cluster dynamic polarizabilities including triple excitations. In Journal of chemical physics. ISSN 0021-9606, 2008, vol. 128, no. 22, article no. 224102.
    JANA, Debasis - DATTA, Dipayan - MUKHERJEE, Debashis. A novel VU-MRCC formalism for the simultaneous treatment of strong relaxation and correlation effects with applications to electron affinity of neutral radicals. In Chemical physics. ISSN 0301-0104, 2006, vol. 329, no. 1-3, pp. 290-306.
    SHUĽGA, Yu. M. - MARTYNENKO, V.M. - SHESTAKOV, A.F. et al. Doping of fullerite with molecular oxygen at low temperature and pressure. In Russian chemical bulletin. ISSN 1066-5285, 2006, vol. 55, no. 4, pp. 687-696.
    BIELSA, F. - BATTESTI, R. - ROBILLIARD, C. et al. Kerr effect of molecular oxygen at lambda=1064 nm. In European physical journal D. ISSN 1434-6060, 2005, vol. 36, no. 3, pp. 261-269.
    THOGERSEN, L. - OLSEN, J. A coupled cluster and full configuration interaction study of CN and CN-. In Chemical physics letters. ISSN 0009-2614, 2004, vol. 393, no. 1-3, pp. 36-43.
    FISER, J. - BOUBLIK, T. - POLAK, R. Combining rule for interaction energies of the (CO)(2), (N-2)(2) and CO-N-2 complexes. In Molecular physics. ISSN 0026-8976, 2003, vol. 101, no. 23-24, pp. 3409-3418.
    ERVIN, K.M. - ANUSIEWICZ, W. - SKURSKI, P. et al. The only stable state of O-2(-) is the X (2)Pi(g) ground state and it (still!) has an adiabatic electron detachment energy of 0.45 eV. In Journal of physical chemistry A. ISSN 1089-5639, 2003, vol. 107, no. 41, pp. 8521-8529.
    CHEN, E.S. - CHEN, E.C.M. Semiempirical characterization of homonuclear diatomic ions: 6. Group VI and VII anions. In Journal of physical chemistry A. ISSN 1089-5639, 2003, vol. 107, no. 1, pp. 169-177.
    JEZIORSKA, M. - BUKOWSKI, R. - CENCEK, W. et al. On the performance of bond functions and basis set extrapolation techniques in high-accuracy calculations of interatomic potentials : a helium dimer study. In Collection of Czechoslovak chemical communications. ISSN 0010-0765, 2003, vol. 68, no. 3, pp. 463-488.
    POLAK, R. - FISER, J. The rovibrational dependence of the N-14 nuclear quadrupole coupling constants in the X-2 Sigma(+) and B-2 Sigma(+) states of CN from the multireference CI approach. In Collection of Czechoslovak chemical communications. ISSN 0010-0765, 2003, vol. 68, no. 3, pp. 509-528.
    ZAHRADNIK, R. - SROUBKOVA, L. Estimates of quantum chemical molecular characteristics for complete basis sets. In Israel journal of chemistry. ISSN 0021-2148, 2003, vol. 43, no. 3-4, pp. 243-265.
    BROOKE, James S.A. - RAM, Ram S. - WESTERN, Colin M. et al. Einstein a coefficients and oscillator strenghts for the A(2)Pi-X-2 Sigma(+) (RED) And B-2 Sigma(+)-X-2 Sigma(+) (Violet) systems and rovibrational transitions in the X-2 Sigma(+) state of CN. In Astrophysical journal supplement series. ISSN 0067-0049, 2014, vol. 210, no. 2, article no. 23.
    PASCHOAL, Diego - COSTA, Marcello F. - JUNQUEIRA, Georgia M.A. et al. Gaussian basis sets for ab initio calculation of NLO properties of polyatomic molecules. In Atomic and molecular nonlinear optics: theory, experiment and computation : a homage to the pioneering work of Stanislaw Kielich (1925-1993). Amsterdam : IOS Press, 2011. ISBN 978-1-60750-742-0, pp. 129-146.
    TARAZKAR, Maryam - ROMANOV, Dmitri A. - LEVIS, Robert J. Theoretical study of second-order hyperpolarizability for nitrogen radical cation. In Journal of physics B - Atomic molecular and optical physics. ISSN 0953-4075, 2015, vol. 48, no. 9, article no. 094019.
    Catal.org.BB301 - Univerzitná knižnica Univerzity Mateja Bela v Banskej Bystrici
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