Chemical Physics
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- 2004
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Mark
The infrared spectrum of isothiazole in the range 600-1500 cm(-1), including a high-resolution study of the v(11)(A ') band at 818cm(-1) and the v(16)(A '') band at 727cm(-1), together with ab initio studies of the full spectrum
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- Contribution to journal › Article
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Mark
Analytical energy gradients for local second-order Moller-Plesset perturbation theory using density fitting approximations
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- Contribution to journal › Article
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Mark
The infrared spectrum of isoxazole in the range 600-1400 cm(-1), including a high-resolution study of the v(7)(A ') band at 1370.9cm(-1) and the v(16)(A '') band at 764.9cm(-1), together with ab initio studies of the full spectrum
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- Contribution to journal › Article
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Mark
Interfacial properties of the nanostructured dye-sensitized solid heterojunction TiO2/RuL2(NCS)(2)/CuI
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- Contribution to journal › Article
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Mark
2MOLCAS as a development platform for quantum chemistry software
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- Contribution to journal › Article
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Mark
The adsorption site of methoxy and ethoxy on Cu(100) as determined by vibrational spectroscopy and first principle calculations
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- Contribution to journal › Article
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Mark
Water dimer in solid neon. Far-infrared spectrum
2004) In The Journal of Physical Chemistry Part A: Molecules, Spectroscopy, Kinetics, Environment and General Theory 108(31). p.6499-6502(
- Contribution to journal › Article
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Mark
Adsorption and charge-transfer study of bi-isonicotinic acid on in situ-grown anatase TiO2 nanoparticles
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- Contribution to journal › Article
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Mark
Photochemistry of diiodomethane in solution studied by femtosecond and nanosecond laser photolysis. Formation and dark reactions of the CH2I-I isomer photoproduct and its role in cyclopropanation of olefins
2004) In The Journal of Physical Chemistry Part A: Molecules, Spectroscopy, Kinetics, Environment and General Theory 108(2). p.237-249(
- Contribution to journal › Scientific review
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Mark
Observation and assignment of the hot band nu(2)+nu(1)(9)-nu(1)(9) in (HCN)(2)
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- Contribution to journal › Article