| 481 |
|
Research Papers - Properties of Molecules - 3 + 1 Resonance enhanced multiphoton ionisation spectroscopy of HBr/
|
Ascenzi, D
|
Royal Society of Chemistry
|
2000
|
|
|
|
| 482 |
|
Research Papers - Properties of Molecules - Ab initio calculations of the NMR spectra of (1.1.1) propellane and bicyclo (1.1.1) pentane/
|
Pecul, Magdalena
|
Royal Society of Chemistry
|
2001
|
|
|
|
| 483 |
|
Research Papers - Properties of Molecules - Ab initio modeling of excited state absorption of polyenes/
|
Cronstrand, Peter
|
Royal Society of Chemistry
|
2001
|
|
|
|
| 484 |
|
Research Papers - Properties of Molecules - Ab-initio molecular dynamics study of the SN2 reaction Cl- + ClCH2CN/
|
Pagliai, Marco
|
Royal Society of Chemistry
|
2001
|
|
|
|
| 485 |
|
Research Papers - Properties of Molecules - Ab initio study of the physical nature of interactions between enzyme active site fragments in vacuo/
|
Sokalski, W Andrzej
|
Royal Society of Chemistry
|
2001
|
|
|
|
| 486 |
|
Research Papers - Properties of Molecules - Ab initio study of the vibrational properties of acetic acid monomers and dimers/
|
Burneau, Andr�
|
Royal Society of Chemistry
|
2000
|
|
|
|
| 487 |
|
Research Papers - Properties of Molecules - Absorption and electroabsorption spectra of ((NH3)5Ru-pyrazine)2+ and ((NH3)5Ru-pyrazine-H)3+ by a vibronic model Hamiltonian/
|
Ferretti, Alessandro
|
Royal Society of Chemistry
|
2001
|
|
|
|
| 488 |
|
Research Papers - Properties-of Molecules - A complete active space self-consistent field (CASSCF) ab initio study of phenol-N2: The properties of a weak hydrogen-bonded system in its S1 excited state/
|
Watkins, Mark J
|
Royal Society of Chemistry
|
2000
|
|
|
|
| 489 |
|
Research Papers - Properties of Molecules - A computational investigation of the electron affinity of CO3 and the thermodynamic feasibility of CO3-(H2O) n + ROOH reactions/
|
Cappa, Christopher D
|
Royal Society of Chemistry
|
2001
|
|
|
|
| 490 |
|
Research Papers - Properties of Molecules - A continuous wave and pulse electron paramagnetic resonance study of Co(II) (tetraphenylporphyrin) in different matrices/
|
Doorslaer, Sabine Van
|
Royal Society of Chemistry
|
2001
|
|
|
|
| 491 |
|
Research Papers - Properties of Molecules - A density-functional investigation of aluminium(III)-citrate complexes/
|
Aquino, Ad�lia J A
|
Royal Society of Chemistry
|
2001
|
|
|
|
| 492 |
|
Research Papers - Properties-of Molecules - A DFT/MRCI study on the excited state charge transfer states of N-pyrrolobenzene, N-pyrrolobenzonitrile and 4-N,N-dimethylaminobenzonitrile/
|
Parusel, Andreas B J
|
Royal Society of Chemistry
|
2000
|
|
|
|
| 493 |
|
Research Papers - Properties of Molecules - A Fourier transform EPR study of uracil and thymine radical anions in aqueous solution/
|
L�, J M
|
Royal Society of Chemistry
|
2001
|
|
|
|
| 494 |
|
Research Papers - Properties of Molecules - A hybrid approach of the multi-configuration time-dependent Hartree and filter-diagonalisation methods for computing bound-state spectra. Application to HO2/
|
Gatti, F
|
Royal Society of Chemistry
|
2001
|
|
|
|
| 495 |
|
Research Papers - Properties of Molecules - A laser spectroscopic study of the Ni-Kr complex/
|
Kawamoto, Yasunobu
|
Royal Society of Chemistry
|
2001
|
|
|
|
| 496 |
|
Research Papers - Properties of Molecules - Aluminium(III) hydration in aqueous solution. A Raman spectroscopic investigation and an ab initio molecular orbital study of aluminium(III) water clusters/
|
Rudolph, Wolfram W
|
Royal Society of Chemistry
|
2000
|
|
|
|
| 497 |
|
Research Papers - Properties of Molecules - A Monte Carlo-quantum mechanical study of the solvatochromism of pyrimidine in water and in carbon tetrachloride/
|
Almeida, K�tia J de
|
Royal Society of Chemistry
|
2001
|
|
|
|
| 498 |
|
Research Papers - Properties of Molecules - Analytical global potential energy surfaces of the two lowest 2A' states of NO2/
|
Reignier, D
|
Royal Society of Chemistry
|
2001
|
|
|
|
| 499 |
|
Research Papers - Properties of Molecules - A near infrared and NMR spectroscopic study of the solvation of basic aprotic solvents and anions in tert-butanol/
|
Symons, Martyn C R
|
Royal Society of Chemistry
|
2001
|
|
|
|
| 500 |
|
Research Papers - Properties of Molecules - A new and versatile fluorescence standard for quantum yield determination/
|
Kalinin, Stanislav
|
Royal Society of Chemistry
|
2001
|
|
|
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