Une estimation d'énergies d'excitation de cœur appliquée à SF₆ comparé à SF₂ = An estimation of core excitation energies applied to SF₆ compared to SF₂MARUANI, J; TRONC, M; DEZARNAUD, C et al.Comptes rendus de l'Académie des sciences. Série II, Mécanique, physique, chimie, astronomie. 1994, Vol 318, Num 9, pp 1191-1196, issn 1251-8069Article

A configuration interaction calculation on the ground and excited states of the (O₂)₂ dimerMINAEV, B. F.Russian journal of physical chemistry. 1994, Vol 68, Num 8, pp 1300-1305, issn 0036-0244Article

Excited states of the phenyl radicalKRAUSS, M; ROSZAK, S.Journal of molecular structure. Theochem. 1994, Vol 310, pp 155-160, issn 0166-1280Conference Paper

Modes of angular motion in intrashell ^2S+1S° states of four-valence-electron atomic systemsBAO CHENG-GUANG.Physical review. A. 1993, Vol 47, Num 3, pp 1752-1760, issn 1050-2947, AArticle

A CASSCF study on potential energy curves of vinoxy radical in excited statesYAMAGUCHI, M.Chemical physics letters. 1994, Vol 221, Num 5-6, pp 531-536, issn 0009-2614Article

1sns Rydberg states of the He atomMING-KEH CHEN.Journal of physics. B. Atomic, molecular and optical physics (Print). 1993, Vol 26, Num 18, pp 3025-3034, issn 0953-4075Article

Correlation effects in doubly excited states of positive ionsDMITRIEVA, I. K; PLINDOV, G. I; POGREBNYA, S. K et al.Journal of physics. B. Atomic, molecular and optical physics (Print). 1993, Vol 26, Num 20, pp 3515-3530, issn 0953-4075Article

Photoinitiated Electron Transfer in Zinc Porphyrin―Perylenediimide Cruciforms and Their Self-Assembled OligomersMICKLEY CONRON, Sarah M; SHOER, Leah E; SMEIGH, Amanda L et al.The Journal of physical chemistry. B. 2013, Vol 117, Num 7, pp 2195-2204, issn 1520-6106, 10 p.Article

Development of a Japanese Adult Female Voxel PhantomSATO, Kaoru; NOGUCHI, Hiroshi; EMOTO, Yutaka et al.Journal of nuclear science and technology. 2009, Vol 46, Num 9, pp 907-913, issn 0022-3131, 7 p.Article

Efficient procedure to compute the microcanonical volume of initial conditions that lead to escape trajectories from a multidimensional potential wellWAALKENS, Holger; BURBANKS, Andrew; WIGGINS, Stephen et al.Physical review letters. 2005, Vol 95, Num 8, issn 0031-9007, 084301-1-084301-4Article

Maple procedures for the coupling of angular momenta. VI. LS-jj transformationsGAIGALAS, G; FRITZSCHE, S.Computer physics communications. 2002, Vol 149, Num 1, pp 39-60, issn 0010-4655, 22 p.Article

Ab initio theoretical calculation and potential energy surface for ground-state HO₃YU, H. G; VARANDAS, A. J. C.Chemical physics letters. 2001, Vol 334, Num 1-3, pp 173-178, issn 0009-2614Article

Electronic excitation energies of pyrimidine studied using coupled cluster response theoryÖHRN, Anders; CHRISTIANSEN, Ove.PCCP. Physical chemistry chemical physics (Print). 2001, Vol 3, Num 5, pp 730-740, issn 1463-9076Article

Potentials interpolated with potentials: the six-dimensional B state surface of thiophosgeneSTRICKLER, B; GRUEBELE, M.Chemical physics letters. 2001, Vol 349, Num 1-2, pp 137-145, issn 0009-2614Article

A computational examination of the anomeric effect in 1,3-diazanesBLAIR, J. R; STEVENS, J.Heterocycles (Sendai). 1994, Vol 37, Num 3, pp 1473-1487, issn 0385-5414Article

A full-CI investivation into the BSSE problemMAYER, I; VIBOK, A; VALIRON, P et al.Chemical physics letters. 1994, Vol 224, Num 1-2, pp 166-174, issn 0009-2614Article

A numerical evaluation of the counterpoise method on hydrogen bond complexes using near complete basis setsNOVOA, J. J; PLANAS, M; M-HWAN WHANGBOYUNG et al.Chemical physics letters. 1994, Vol 225, Num 1-3, pp 240-246, issn 0009-2614Article

A theoretical study of the geometrical structure and energy inversion barriers of the cyanopnictogens N≡C-XY₂ (X = N or P; Y = H, F, Cl or Br)GLEZAKOU, V. A; KAPELLOS, S. T; MAVRIDIS, A et al.Journal of molecular structure. Theochem. 1994, Vol 305, pp 225-239, issn 0166-1280Article

Ab initio and molecular mechanics calculations on the inversion of C_s to C₂ conformations of 1,3-cycloheptadieneNEVINS, N; STEWART, E. L; ALLINGER, N. L et al.Journal of physical chemistry (1952). 1994, Vol 98, Num 8, pp 2056-2061, issn 0022-3654Article

Ab initio calculations on the stabilization energy and vibrational frequencies of the C₆H₆...SF₆ dimerRITZE, H.-H; RADLOFF, W.Chemical physics letters. 1994, Vol 221, Num 3-4, pp 241-248, issn 0009-2614Article

Ab initio characterization of ClNO₂, cis-ClONO, and trans-ClONOLEE, T. J.Journal of physical chemistry (1952). 1994, Vol 98, Num 1, pp 111-115, issn 0022-3654Article

Ab initio study of the electronic spectrum of the SF₂ radicalCAI, Z.-L; BAI, J.-L.Chemical physics letters. 1994, Vol 220, Num 1-2, pp 109-116, issn 0009-2614Article

Accurate upper and lower bounds for some excited S states of the He atomKLEINDIENST, H; LÜCHOW, A; MERCKENS, H.-P et al.Chemical physics letters. 1994, Vol 218, Num 5-6, pp 441-444, issn 0009-2614Article

An ab initio study of the structures, barriers for internal rotation, vibrational frequencies, and thermodynamic functions of 1,1,2-trifluoroethane and 1,1,2,2-tetrafluoroethaneYONGHUA CHEN; PADDISON, S. J; TSCHUIKOW-ROUX, E et al.Journal of physical chemistry (1952). 1994, Vol 98, Num 4, pp 1100-1108, issn 0022-3654Article

An initio studies of the conformations of methylamine and ethylenediamine : interaction forces affecting the structural stabilitySANG JOO LEE; BYUNG JIN MHIN; SEUNG JOO CHO et al.Journal of physical chemistry (1952). 1994, Vol 98, Num 4, pp 1129-1134, issn 0022-3654Article