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Polák, R., Paidarová, I., Kuntz, P.J. (1993) Theoretical model and ab initio calculation of potential energy surfaces for the reaction NH+·(2Π)+H2(1Σ+g). Chemical Physics, 172. 73-83 doi:10.1016/0301-0104(93)80107-k

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Reference TypeJournal (article/letter/editorial)
TitleTheoretical model and ab initio calculation of potential energy surfaces for the reaction NH+·(2Π)+H2(1Σ+g)
JournalChemical Physics
AuthorsPolák, R.Author
Paidarová, I.Author
Kuntz, P.J.Author
Year1993 (May)Volume172
PublisherElsevier BV
DOIdoi:10.1016/0301-0104(93)80107-kSearch in ResearchGate
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Mindat Ref. ID5954725Long-form Identifiermindat:1:5:5954725:7
GUID0
Full ReferencePolák, R., Paidarová, I., Kuntz, P.J. (1993) Theoretical model and ab initio calculation of potential energy surfaces for the reaction NH+·(2Π)+H2(1Σ+g). Chemical Physics, 172. 73-83 doi:10.1016/0301-0104(93)80107-k
Plain TextPolák, R., Paidarová, I., Kuntz, P.J. (1993) Theoretical model and ab initio calculation of potential energy surfaces for the reaction NH+·(2Π)+H2(1Σ+g). Chemical Physics, 172. 73-83 doi:10.1016/0301-0104(93)80107-k
In(n.d.) Chemical Physics Vol. 172. Elsevier BV

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Polák, Rudolf, Paidarová, Ivana, Kuntz, Philip J. (1993) Theoretical calculations of the quartet potential energy surfaces in the NH+ + H2 system. Chemical Physics, 178. 245-253 doi:10.1016/0301-0104(93)85065-g
Šavrda, J., Vojtík, J., Paidarová, I. (1993) Ab initio calculation of nuclear quadruple coupling constants of rovibrational levels of 11B2H, 10B1H10B1H in the double-minimum B1Σ+ electronic state. Chemical Physics, 172. 265-276 doi:10.1016/0301-0104(93)80121-o
Polák, R., Kuntz, P.J. (1992) An analysis of semi-empirical valence bond models for MX2 potential energy surfaces: a case study of LiF2. Chemical Physics, 168. 301-314 doi:10.1016/0301-0104(92)87164-5
Urban, Jan, Staemmler, Volker (1993) Theoretical study of the lowest potential energy surfaces for the reaction O(3P) + HBr(X 1∑+) → OH(X 2Π) + Br(2P). Chemical Physics, 178. 279-286 doi:10.1016/0301-0104(93)85067-i
Stärck, J., Meyer, W. (1993) Ab initio potential energy surface for the collisional system H−+H2 and properties of its van der Waals complex. Chemical Physics, 176. 83-95 doi:10.1016/0301-0104(93)85009-w
Kuntz, P.J., Doran, M., Hillier, I.H. (1979) Ab initio calculation of the potential energy surface and cross sections for the reactions Ne+2 + He → NeHe+ + Ne and Ne+2 + Ne + He. Chemical Physics, 43. 197-204 doi:10.1016/0301-0104(79)85188-5
González, Miguel, Sayós, Ramón, Mota, Fernando, Aguilar, Antonio (1987) On the reaction Si+(2P) + H2(X1Σ+g) → SiH+ + H. I. Ab initio potential energy surfaces. Chemical Physics, 113. 417-424 doi:10.1016/0301-0104(87)80007-1
Kuntz, Philip J., Paidarová, Ivana, Polák, Rudolf (1995) Theoretical charge-transfer cross-sections for from a diatomics-in-molecules effective Hamiltonian. Chemical Physics, 199. 53-63 doi:10.1016/0301-0104(95)00224-c
Durand, Gerard, Chapuisat, Xavier (1985) An ab initio description of the excited states of the reaction O(3P, 1D) + H2 → OH(2Π, 2Σ+) + H. An attempt to describe several potential energy surfaces with constant accuracy. Chemical Physics, 96. 381-407 doi:10.1016/0301-0104(85)85101-6
Vojtík, J., Češpiva, L., Paidarová, I., Šavrda, J. (1991) Ab initio calculation of nuclear quadrupole coupling constants of rovibrational levels in the X 1Σ+ state of all isotopic variants of BH. Chemical Physics, 150. 65-71 doi:10.1016/0301-0104(91)90056-y
Fišer, J., Voitík, J. (1993) Ab initio CI calculation of nuclear quadrupole coupling constants of low-lying rovibrational levels in the X 1Σ+ state of CH+. Chemical Physics, 171. 319-324 doi:10.1016/0301-0104(93)80202-k
 
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