Intermolecular configurations dominated by quadrupole-quadrupole electrostatic interactions: explicit correlation treatment of the five-dimensional potential energy surface and infrared spectra for the CO-N2 complex

scientific article published on 4 January 2018

Intermolecular configurations dominated by quadrupole-quadrupole electrostatic interactions: explicit correlation treatment of the five-dimensional potential energy surface and infrared spectra for the CO-N2 complex is …
instance of (P31):
scholarly articleQ13442814

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P356DOI10.1039/C7CP06854A
P698PubMed publication ID29300056

P50authorHui LiQ44780649
Yu ZhaiQ61826374
Jing-Min LiuQ95990038
P2093author name stringXiao-Long Zhang
P2860cites workGaussian basis sets for use in correlated molecular calculations. I. The atoms boron through neon and hydrogenQ26778446
The calculation of small molecular interactions by the differences of separate total energies. Some procedures with reduced errorsQ29039690
An accurate analytic potential function for ground-state N2 from a direct-potential-fit analysis of spectroscopic dataQ31075255
A new look at the infrared spectrum of the weakly bound CO-N2 complexQ35007420
On the accuracy of explicitly correlated methods to generate potential energy surfaces for scattering calculations and clustering: application to the HCl-He complexQ43705733
CO dimer: new potential energy surface and rovibrational calculationsQ43823881
Analytic Morse/long-range potential energy surfaces and predicted infrared spectra for CO2-H2.Q44780628
Explicit correlation treatment of the potential energy surface of CO2 dimer.Q45722239
Potential energy surface of the CO2-N2 van der Waals complexQ46179557
Explicit correlation treatment of the six-dimensional potential energy surface and predicted infrared spectra for OCS-H2.Q46327613
A new potential function form incorporating extended long-range behaviour: application to ground-state Ca2Q56430635
An iteration method for the solution of the eigenvalue problem of linear differential and integral operatorsQ56680212
Comment on: “Estimating the Hartree–Fock limit from finite basis set calculations” [Jensen F (2005) Theor Chem Acc 113:267]Q58738658
P433issue3
P407language of work or nameEnglishQ1860
P921main subjectpotential energyQ155640
P1104number of pages12
P304page(s)2036-2047
P577publication date2018-01-04
P1433published inPhysical Chemistry Chemical PhysicsQ3018671
P1476titleIntermolecular configurations dominated by quadrupole-quadrupole electrostatic interactions: explicit correlation treatment of the five-dimensional potential energy surface and infrared spectra for the CO-N2 complex
P478volume20

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