共 40 条
- [21] 2ND ROW HOMOPOLAR DIATOMIC-MOLECULES - POTENTIAL CURVES, SPECTROSCOPIC CONSTANTS, AND DISSOCIATION-ENERGIES AT THE BASIS SET LIMIT FOR SCF AND LIMITED CI WAVE-FUNCTIONSJOURNAL OF CHEMICAL PHYSICS, 1984, 80 (10): : 5130 - 5140MCLEAN, ADLIU, BCHANDLER, GS
- [22] NEW SCALED ATOMS-IN-MOLECULES THEORY FOR PREDICTING DIATOMIC POTENTIAL-ENERGY CURVES .3. REFINED APPLICATIONS TO X 1SIGMAG+ AND E 1SIGMAG+ STATES OF H2JOURNAL OF CHEMICAL PHYSICS, 1969, 50 (09): : 3942 - &ELLISON, FOSLEZAK, JA
- [23] Benchmarking van der Waals density functionals with experimental data: potential-energy curves for H2 molecules on Cu(111), (100) and (110) surfacesJOURNAL OF PHYSICS-CONDENSED MATTER, 2012, 24 (42)Lee, KyuhoBerland, KristianYoon, MinaAndersson, StigSchroder, ElsebethHyldgaard, PerLundqvist, Bengt I.
- [24] AB-INITIO STUDY OF NO2 .4. VIBRATIONAL LEVELS OF THE GROUND ELECTRONIC-STATE OF NO2 IN BOTH THE DIABATIC AND ADIABATIC REPRESENTATIONS OF THE POTENTIALMOLECULAR PHYSICS, 1994, 82 (03) : 553 - 565LEONARDI, EPETRONGOLO, CKESHARI, VHIRSCH, GBUENKER, RJ
- [25] A NEW INDO-TYPE PROCEDURE FOR CONJUGATED NON-RIGID MOLECULES .2. EXTENSION TO ELECTRONIC-SPECTRA AND EXCITED-STATE POTENTIAL CURVESCHEMICAL PHYSICS, 1983, 82 (1-2) : 229 - 252MOMICCHIOLI, FBARALDI, IBRUNI, MC
- [26] A new potential energy surface for the ground electronic state of the LiH2 system, and dynamics studies on the H(2S) + LiH(X1Σ+) → Li(2S) + H2(X1Σg+) reactionPHYSICAL CHEMISTRY CHEMICAL PHYSICS, 2015, 17 (17) : 11732 - 11739Yuan, JiuchuangHe, DiChen, Maodu
- [27] Ab initio prediction of spectroscopic constants of MgN in X4Σ- and a2Π electronic states:: Another potential candidate for a new Mg-bearing interstellar moleculeASTROPHYSICAL JOURNAL, 2005, 626 (01): : L33 - L35Ishii, KTaketsugu, T
- [28] NEW SCALED ATOMS-IN-MOLECULES THEORY FOR PREDICTING DIATOMIC POTENTIAL-ENERGY CURVES .2. STUDIES OF CALIBRATION TECHNIQUE AND APPLICATIONS TO HEH+ HEH HE2+ H2- AND HE2JOURNAL OF CHEMICAL PHYSICS, 1968, 48 (03): : 1103 - &WU, AAELLISON, FO
- [29] DETERMINATION OF AN ANHARMONIC POTENTIAL FUNCTION OF A HYDROGEN-SULFIDE MOLECULE USING SPECTROSCOPIC DATA AND AN ELECTRONIC-COMPUTER AND CALCULATION OF A VIBRATION SPECTRUM OF H2S AND D2S MOLECULES TAKING INTO ACCOUNT DARLING-DENISOV RESONANCEOPTIKA I SPEKTROSKOPIYA, 1976, 40 (01): : 68 - 73SKOTNIKOV, AISVERDLOV, LM
- [30] SEMI-EMPIRICAL CNDO-2 CALCULATION OF ELECTRONIC-STRUCTURE OF DNA MOLECULE .1. GROUND-STATE POTENTIAL CURVES - TUNNELING AND TAUTOMERIC EQUILIBRIUM IN N-H---N AND O---H-N BONDS OF ADENINE-THYMINE BASE PAIRJOURNAL OF THEORETICAL BIOLOGY, 1978, 74 (01) : 11 - 22MARANON, JSORARRAIN, OMGRINBERG, HLAMDAN, SGAOZZA, CH