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  1. TitleMolecular Physics
    Issue dataAbingdon : Taylor & Francis Group , 2014
    ISSN0026-89761362-3028
    Form. Descr.časopisy - journals, elektronické časopisy - electronic journals
    Year, No.Vol. 112 no. 24 (2014)
    LanguageEnglish
    CountryGreat Britian
    URLLink na zdrojový dokument
    Public work category GII
    Catal.org.BB301 - Univerzitná knižnica Univerzity Mateja Bela v Banskej Bystrici
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    ARTICLES2014:
    Weakly interacting molecular clusters of CO with H2O, SO2, and NO+
  2. TitleWeakly interacting molecular clusters of CO with H2O, SO2, and NO+
    Author infoŠimon Budzák ... [et al.]
    Author Budzák Šimon 1982- (25%) UMBFP08 - Katedra chémie
    Co-authors Carbonniere Philippe (25%)
    Medveď Miroslav 1971- (25%) UMBFP08 - Katedra chémie
    Černušák Ivan (25%)
    Source document Molecular Physics. Vol. 112, no. 24 (2014), pp. 3225-3236. - Abingdon : Taylor & Francis Group, 2014
    Keywords slabé interakcie   oxid uhoľnatý   CCSD(T)   termochémia   weak interactions   carbon monoxide   thermochemistry  
    LanguageEnglish
    CountryGreat Britian
    systematics 54
    Public work category ADC
    No. of Archival Copy31401
    Repercussion category KIM, Hahn - VAN DUNG DOAN - CHO, Woo Jong - VALERO, Rosendo - TEHRANI, Zahra Aliakbar - MADRIDEJOS, Jenica Marie L. - KIM, Kwang S. Intriguing electrostatic potential of CO : negative Bond-ends and positive Bond-cylindrical-surface. In Scientific reports. ISSN 2045-2322, 2015, vol. 5, art. no. 16307, pp. 1-9.
    LOVAS, F. J. - SPRAGUE, M. K. Microwave rotational spectral study of SO2-CO. In Journal of molecular spectroscopy. ISSN 0022-2852, 2015, vol. 316, pp. 49-53.
    RYAZANTSEV, Sergey V. - DUARTE, Luis - FELDMAN, Vladimir I. - KHRIACHTCHEV, Leonid. VUV photochemistry of the H2O center dot center dot center dot CO complex in noble-gas matrices : formation of the OH center dot center dot center dot CO complex and the HOCO radical. In Physical chemistry chemical physics. ISSN 1463-9076, 2017, vol. 19, no. 1, pp. 356-365.
    KALUGINA, Y. N. - FAURE, A. - VAN DER AVOIRD, A. - WALKER, K. - LIQUE, F. Interaction of H2O with CO : potential energy surface, bound states and scattering calculations. In Physical chemistry chemical physics. ISSN 1463-9076, 2018, vol. 20, no. 8, pp. 5469-5477.
    BARCLAY, A. J. - VAN DER AVOIRD, A. - MCKELLAR, A. R. W. - MOAZZEN-AHMADI, N. The water-carbon monoxide dimer : new infrared spectra, ab initio rovibrational energy level calculations, and an interesting intermolecular mode. In Physical chemistry chemical physics. ISSN 1463-9076, 2019, vol. 21, no. 27, pp. 14911-14922.
    LIU, Yang - LI, Jun. An accurate full-dimensional permutationally invariant potential energy surface for the interaction between H2O and CO. In Physical chemistry chemical physics. ISSN 1463-9076, 2019, vol. 21, no. 43, pp. 24101-24111.
    OREK, Cahit - UMINSKI, Marcin - KLOS, Jacek - LIQUE, Francois - ZUCHOWSKI, Piotr S. - BULUT, Niyazi. NO+ + H-2: potential energy surface and bound state calculations. In Chemical physics letters. ISSN 0009-2614, 2021, vol. 771, art. no. 138511, pp. 1-9.
    Catal.org.BB301 - Univerzitná knižnica Univerzity Mateja Bela v Banskej Bystrici
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  3. TitleGauge origin independent calculations of molecular magnetisabilities in relativistic four-component theory
    Par.titleVýpočty molekulových magnetizovateľností nezávislých od kalibračného počiatku v rámci štvorkomponentnej relativistickej teórie
    Author infoMiroslav Iliaš ... [et al.]
    Author Iliaš Miroslav 1975- (75%) UMBFP08 - Katedra chémie
    Co-authors Jensen Hans Jorgen Aagaard (5%)
    Bast Radovan (5%)
    Saue Trond (15%)
    Source document Molecular Physics. Vol. 111, no. 9-11 (2013), pp. 1373-1381. - Abingdon : Taylor & Francis Group, 2013
    Keywords molecular properties   magnetic properties of substances   molecular magnetisabilities   relativistic effects   atómové orbitály - atomic orbitals  
    LanguageEnglish
    CountryFrance
    systematics 54
    AnnotationThe use of magnetic-field dependent London atomic orbitals, also called gauge including atomic orbitals, is known to be an efficient choice for accurate non-relativistic calculations of magnetisabilities. In this work, the appropriate formulas were extended and implemented in the framework of the four-component relativistic linear response method at the self-consistent field single reference level. Benefits of employing the London atomic orbitals in relativistic calculations are illustrated with Hartree–Fock wave functions on the XF3 (X = N, P, As, Sb, Bi) series of molecules. Significantly better convergence of magnetisabilities with respect to the basis set size is observed compared to calculations employing a common gauge origin. In fact, it is mandatory to use London atomic orbitals unless you want to use ridiculously large basis sets. Relativistic effects on magnetisabilities are found to be quite small (<5%) for this particular set of molecules, but should be investigated on a larger set of molecules. We emphasise the breakdown of the connection between the paramagnetic contribution to magnetisabilities and rotational g tensors in the relativistic domain and discuss its origin. Finally, we visualise the magnetisability density which shows markedly atomic features evocative of Pascal’s rules
    URLLink na zdrojový dokument
    Public work category ADC
    No. of Archival Copy26503
    Repercussion category YOSHIZAWA, Terutaka - HADA, Masahiko. Gauge-origin dependence of NMR shielding constants in the Douglas-Kroll-Hess method. In Chemical physics letters. ISSN 0009-2614, 2015, vol. 618, pp. 132-141.
    AGUSTIN AUCAR, I. - GOMEZ, Sergio S. - GIRIBET, Claudia G. - RUIZ DE AZUA, Martin C. Theoretical study of the relativistic molecular rotational g-tensor. In Journal of chemical physics. ISSN 0021-9606, 2014, vol. 141, no. 19, article no. 194103.
    REYNOLDS, Ryan D. - SHIOZAKI, Toru. Fully relativistic self-consistent field under a magnetic field. In Physical chemistry chemical physics. ISSN 1463-9076, 2015, vol. 17, no. 22, pp. 14280-14283.
    ANTUSEK, A. - HOLKA, F. Absolute shielding scales for Al, Ga, and In and revised nuclear magnetic dipole moments of Al-27, Ga-69, Ga-71, In-113, and In-115 nuclei. In Journal of chemical physics. ISSN 0021-9606, 2015, vol. 143, no. 7, article no. 074301.
    DAWES, Richard - NDENGUE, Steve A. Single- and multireference electronic structure calculations for constructing potential energy surfaces. In International reviews in physical chemistry. ISSN 0144-235X, 2016, vol. 35, no. 3, pp. 441-478.
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  4. TitleMolecular Physics
    Issue dataAbingdon : Taylor & Francis Group , 2013
    ISSN0026-89761362-3028
    Form. Descr.časopisy - journals, elektronické časopisy - electronic journals
    Year, No.Vol. 111 no. 9-11 (2013)
    LanguageEnglish
    CountryGreat Britian
    URLLink na zdrojový dokument
    Public work category GII
    Catal.org.BB301 - Univerzitná knižnica Univerzity Mateja Bela v Banskej Bystrici
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    ARTICLES2013:
    Gauge origin independent calculations of molecular magnetisabilities in relativistic four-component theory
  5. TitleMolecular Physics
    Issue dataAbingdon : Taylor & Francis Group , 2012
    ISSN0026-89761362-3028
    Form. Descr.časopisy - journals, elektronické časopisy - electronic journals
    Year, No.Vol. 110 no. 18 (2012)
    LanguageEnglish
    CountryGreat Britian
    URLLink na zdrojový dokument
    Public work category GII
    Catal.org.BB301 - Univerzitná knižnica Univerzity Mateja Bela v Banskej Bystrici
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    ARTICLES2012:
    CASPT2 and CCSD calculations of dipole moments and polarizabilities of acetone in excited states
  6. TitleCASPT2 and CCSD(T) calculations of dipole moments and polarizabilities of acetone in excited states
    Author infoMiroslav Melicherčík ... [et al.]
    Author Melicherčík Miroslav 1984- (25%) UMBFP05 - Katedra informatiky
    Co-authors Pašteka Lukáš Felix (25%)
    Neogrády Pavel (25%)
    Urban Miroslav (25%)
    Source document Molecular Physics. Vol. 110, no. 18 (2012), pp. 2219-2237. - Abingdon : Taylor & Francis Group, 2012
    Keywords acetón   dipólový moment   excitované stavy   acetone   dipole moment   excited states  
    Headings Geogr.3 53
    LanguageEnglish
    CountryUnited States of America
    systematics 53
    Public work category ADC
    No. of Archival Copy33757
    Repercussion category PREZHDO, O.V. - ZUBKOVA, V.V. - OLAN, K. - PREZHDO, V.V. A simple model for prediction of dipole moments of isolated molecules. In Journal of molecular structure. ISSN 0022-2860, 2013, vol. 1053, pp. 141-149.
    BEDNARSKA, Joanna - ROZTOCZYNSKA, Agnieszka - BARTKOWIAK, Wojciech - ZALESNY, Robert. Comparative assessment of density functionals for excited-state dipole moments. In Chemical physics letters. ISSN 0009-2614, 2013, vol. 584, pp. 58-62.
    HEAD-GORDON, M. Untitled. In Molecular physics. ISSN 0026-8976, 2013, vol. 111, no. 5, p. 605.
    FISANOVA, Jana - CERNUSAK, Ivan - KELLOE, Vladimir. Ab initio calculations of molecular properties of low-lying electronic states of 2-cyclopenten-1-one link with biological activity. In Journal of molecular modeling. ISSN 1610-2940, 2012, vol. 18, no. 10, pp. 4751-4759.
    BUDZÁK, Šimon - MEDVEĎ, Miroslav - MENNUCCI, Benedetta - JACQUEMIN, Denis. Unveiling solvents effect on excited-state polarizabilities with the corrected linear-response model. In Journal of physical chemistry A. ISSN 1089-5639, 2014, vol. 118, no. 30, pp. 5652-5656.
    MEDVEĎ, Miroslav - BUDZÁK, Šimon - PLUTA, Tadeusz. Electric properties of the low-lying excited states of benzonitrile: geometry relaxation and solvent effects. In Theoretical chemistry accounts. ISSN 1432-881X, 2015, vol. 134, no. 6, pp. [1-14].
    RENGE, Indrek. Solvent induced transformations of n-pi* absorption in formaldehyde, acetaldehyde, and acetone. In Journal of physical chemistry A. ISSN 1089-5639, 2015, vol. 119, no. 32, pp. 8599-8610.
    SUVITHA, Ambigapathy - VENKATARAMANAN, Natarajan Sathiyamoorthy. DFT calculations on polarizabilities and hyperpolarizabilities for the neutral and anionic yttrium oxide clusters. In Journal of theoretical & computational chemistry. ISSN 0219-6336, 2015, vol. 14, no. 7, art. no. 1550049.
    SHASTRI, Aparna - SINGH, Param Jeet. Vibrational modes in excited Rydberg states of acetone : a computational study. In Journal of quantitative spectroscopy & radiative transfer. ISSN 0022-4073, 2016, vol. 173, pp. 92-105.
    BUDZAK, Simon - LAURENT, Adele D. - LAURENCE, Christian - MEDVED, Miroslav - JACQUEMIN, Denis. Solvatochromic shifts in UV-Vis absorption spectra : the challenging case of 4-Nitropyridine N-Oxide. In Journal of chemical theory and computation. ISSN 1549-9618, 2016, vol. 12, no. 4, pp. 1919-1929.
    HALDAR, Tapas - BAGCHI, Sayan. Electrostatic interactions are key to C=O n-pi* shifts : an experimental proof. In Journal of physical chemistry letters. ISSN 1948-7185, 2016, vol. 7, no. 12, pp. 2270-2275.
    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.
    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.
    LOOS, Pierre-Francois - LIPPARINI, Filippo - BOGGIO-PASQUA, Martial - SCEMAMA, Anthony - JACQUEMIN, Denis. A mountaineering strategy to excited states : highly accurate energies and benchmarks for medium sized molecules. In Journal of chemical theory and computation. ISSN 1549-9618, 2020, vol. 16, no. 3, pp. 1711-1741.
    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.
    MA, Junyang - COUDERT, L. H. - BILLARD, F. - BOURNAZEL, M. - LAVOREL, B. - WU, Jian - MAROULIS, G. - HARTMANN, J-M - FAUCHER, O. Echo-assisted impulsive alignment of room-temperature acetone molecules. In Physical review research. ISSN 2643-1564, 2021, vol. 3, no. 2, pp. [1-13].
    SHARIPOV, Alexander S. - PELEVKIN, Alexey - LOUKHOVITSKI, Boris. A simple semiempirical model for the static polarizability of electronically excited atoms and molecules. In Chinese physics B. ISSN 1674-1056, 2023, vol. 32, no. 4, pp. 1-12.
    Catal.org.BB301 - Univerzitná knižnica Univerzity Mateja Bela v Banskej Bystrici
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  7. TitleMolecular Physics
    Issue dataAbingdon : Taylor & Francis Group , 2002
    ISSN0026-89761362-3028
    Form. Descr.časopisy - journals, elektronické časopisy - electronic journals
    Year, No.Vol. 100 no. 5 (2002)
    LanguageEnglish
    CountryGreat Britian
    URLLink na zdrojový dokument
    Public work category GII
    Catal.org.BB301 - Univerzitná knižnica Univerzity Mateja Bela v Banskej Bystrici
    Databasexpca - PUBLIKAČNÁ ČINNOSŤ
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    ARTICLES2002:
    Benchmark calculations of some molecular properties of O2, CN and other selected small radicals using the ROHF-CCSD method
  8. 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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  9. TitleAnisotropic dipole polarizabilities and quadrupole moments of openshell atoms and ions: O, F, S, Cl, Se, Br and isoelectronic systems
    Author infoMiroslav Medveď, P. W. Fowler, J. M. Hutson
    TitleSubtitle Translation : Anizotropické dipólové polarizovateľnosti a kvadrupólové momenty atómov a iónov s otvorenými elektrónovými vrstvami
    Author Medveď Miroslav 1971- UMBFP08 - Katedra chémie
    Co-authors Fowler P. W.
    Hutson J. M.
    Source document Molecular Physics. Vol. 98, no. 7 (2000), pp. 453-463. - Abingdon : Taylor & Francis Group, 2000
    Keywords polarizovateľnosť   kvadrupólový moment   metódy CASSCF a CASPT2  
    systematics 54
    Public work category ADC
    Repercussion category PABST, Stefan - SYTCHEVA, Arina - MOULET, Antoine et al. Theory of attosecond transient-absorption spectroscopy of krypton for overlapping pump and probe pulses. In Physical review A. ISSN 1050-2947, 2012, vol. 86, no. 6, article no. 063411.
    MASTALERZ, R. - ZEHNDER, O. - REIHER, M. - MERKT, F. Spin-orbit coupling and potential energy functions of Ar-2(+) and Kr-2(+) by high-resolution photoelectron spectroscopy and ab initio quantum chemistry. In Journal of chemical theory and computation. ISSN 1549-9618, 2012, vol. 8, no. 10, pp. 3671-3685.
    STOECKLIN, Thierry - BUSSERY-HONVAULT, Beatrice - HONVAULT, Pascal - DAYOU, F. Asymptotic potentials and rate constants in the adiabatic capture centrifugal sudden approximation for X + OH(X-2 Pi)> OX + H(S-2) reactions where X = O(P-3), S(P-3) or N(S-4). In Computational and theorectical chemistry. ISSN 2210-271X, 2012, vol. 990, pp. 39-46.
    KANG, Young-Gu - KIM, Hyung-Jun - PARK, Hong-Gyu et al. Tin dioxide inorganic nanolevel films with different liquid crystal molecular orientations for application in liquid crystal displays (LCDs). In Journal of materials chemistry. ISSN 0959-9428, 2012, vol. 22, no. 31, pp. 15969-15975.
    YANG, Seok - LEE, Jong-Jin - LEE, Hee-Jun et al. Oxidation state investigation concerning liquid crystal alignment on polydimethylsiloxane layer by ion beam irradiation. In Liquid crystals. ISSN 0267-8292, 2012, vol. 39, no. 1, pp. 71-75.
    BOVINO, S. - ZHANG, P. - KHARCHENKO, V. - DALGARNO, A. Relaxation of energetic S(D-1) atoms in Xe gas : comparison of ab initio calculations with experimental data. In Journal of chemical physics. ISSN 0021-9606, 2011, vol. 135, no. 2, article no. 024304.
    LARA, Manuel - DAYOU, F. - LAUNAY, J. M. Reaching the cold regime : S(D-1)+H-2 and the role of long-range interactions in open shell reactive collisions. In Physical chemistry chemical physics. ISSN 1463-9076, 2011, vol. 13, no. 18, pp. 8359-8370.
    KANG, Young-Gu - PARK, Hong-Gyu - KIM, Hyung-Jun et al. Superior optical properties of homogeneous liquid crystal alignment on a tin (IV) oxide surface sequentially modulated via ion beam irradiation. In Optics express. ISSN 1094-4087, 2010, vol. 18, no. 21, pp. 21594-21602.
    BUCHACHENKO, Alexei A. - WRIGHT, Timothy G. - LEE, Edmond P.F. - VIEHLAND, Larry A. Interaction potentials, spectroscopy, and transport properties of the Br+-RG systems (RG = He-Ar). In Journal of physical chemistry A. ISSN 1089-5639, 2009, vol. 113, no. 52, pp. 14431-14438.
    GARAND, Etienne - BUCHACHENKO, Alexei A. - YACOVITCH, Tara I. et al. Study of KrO- and KrO via slow photoelectron velocity-map imaging spectroscopy and ab initio calculations. In Journal of physical chemistry A. ISSN 1089-5639, 2009, vol. 113, no. 52, pp. 14439-14446.
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    BYTAUTAS, Laimutis - RUEDENBERG, Klaus. Ab initio potential energy curve of F-2. IV. Transition from the covalent to the van der Waals region : competition between multipolar and correlation forces. In Journal of chemical physics. ISSN 0021-9606, 2009, vol. 130, no. 20, article no. 204101.
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    Catal.org.BB301 - Univerzitná knižnica Univerzity Mateja Bela v Banskej Bystrici
    Databasexpca - PUBLIKAČNÁ ČINNOSŤ
    ReferencesPERIODIKÁ-Súborný záznam periodika
    unrecognised

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  10. TitleMolecular Physics
    Issue dataAbingdon : Taylor & Francis Group , 2000
    ISSN0026-89761362-3028
    Form. Descr.časopisy - journals, elektronické časopisy - electronic journals
    Year, No.Vol. 98 no. 7 (2000)
    LanguageEnglish
    CountryGreat Britian
    URLLink na zdrojový dokument
    Public work category GII
    Catal.org.BB301 - Univerzitná knižnica Univerzity Mateja Bela v Banskej Bystrici
    Databasexpca - PUBLIKAČNÁ ČINNOSŤ
    References - PERIODIKÁ - Súborný záznam periodika
    (1) - PUBLIKAČNÁ ČINNOSŤ
    ReferencesPERIODIKÁ-Súborný záznam periodika
    ARTICLES2000:
    Anisotropic dipole polarizabilities and quadrupole moments of openshell atoms and ions: O, F, S, Cl, Se, Br and isoelectronic systems


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