Terms: Calculated NMR Spectrum (16), calculated nmr spectra (73), calculated nmr (1,350), calculated magnetic resonance (37), predicted nmr spectrum (19), predicted nmr spectra (39), predicted nmr (438), predicted magnetic resonance (11),
Terms: nmr spectra (894,000), nmr spectrum (348,000), magnetic resonance spectra (183,000), magnetic resonance spectrum (18,800), nmr data (579,000), magnetic resonance data (184,000),
Terms: nmr software (68,900), magnetic resonance software (539), nmr shift (22,500), magnetic resonance shift (416), chemical shift (759,000), chemical shifts (653,000), rotational diffusion (67,800), diffusion tensor (507,000),
Boolean: NMR +software (2,490,000), "magnetic resonance" +software (3,040,000),
NIST: Atomic total energies: Atomic Reference Data for Electronic Structure Calculations
Open Directory - Science: Chemistry: Nuclear Magnetic Resonance: Software
Terms: molecular modeling (1,870,000), molecular modelling (609,000), structure calculation (154,000), structure calculations (470,000),
Boolean: "magnetic resonance" +"ab initio" (154,000), "magnetic resonance" +computational (1,380,000), "magnetic resonance" +quantum (1,280,000), "magnetic resonance" +calculations (831,000), "magnetic resonance" +theoretical (1,570,000), "magnetic resonance" +"quantum chemistry" (110,000),
Boolean: nmr +"ab initio" (386,000), nmr +computational (1,490,000), nmr +quantum (1,390,000), nmr +calculations (1,150,000), nmr +theoretical (1,220,000), nmr +"quantum chemistry" (195,000),
Boolean: "magnetic resonance" +computation (670,000), NMR +computation (613,000), "magnetic resonance" +database (2,210,000), NMR +database (1,920,000), "magnetic resonance" +(predicted OR prediction) (1,950,000), NMR +(predicted OR prediction) (1,490,000),
Terms: spin rotation tensors (41), magnetic shielding tensors (1,130), microwave spectra (24,700), magnetic shielding (470,000), magnetic shieldings (1,500), quantum chemistry (1,350,000), electric field gradients (25,300), computational chemistry (2,150,000), theoretical chemistry (1,450,000),
Terms: molecular structure (4,720,000), electronic structure (2,610,000), atomic structure (1,900,000), nuclear structure (1,100,000),
Boolean: "molecular structure" + "magnetic resonance" (349,000), "molecular structure" +NMR (506,000), "atomic structure" + "magnetic resonance" (95,600), "atomic structure" +NMR (124,000), "nuclear structure" +"magnetic resonance" (27,400), "nuclear structure" +NMR (23,800), "electronic structure" +"magnetic resonance" (180,000), "electronic structure" +NMR (291,000),