دنبال کردن
Per-Olof Åstrand
Per-Olof Åstrand
NTNU - Norwegian University of Science and Technology
ایمیل تأیید شده در ntnu.no - صفحهٔ اصلی
عنوان
نقل شده توسط
نقل شده توسط
سال
Investigation of the temperature dependence of dielectric relaxation in liquid water by THz reflection spectroscopy and molecular dynamics simulation‏
C Rønne, L Thrane, PO Åstrand, A Wallqvist, KV Mikkelsen, SR Keiding‏
The Journal of Chemical Physics 107 (14), 5319-5331, 1997‏
7351997
THz Spectroscopy of Liquid H2O and D2O‏
C Rønne, PO Åstrand, SR Keiding‏
Physical Review Letters 82 (14), 2888-2891, 1999‏
4881999
An efficient approach for calculating vibrational wave functions and zero-point vibrational corrections to molecular properties of polyatomic molecules‏
K Ruud, PO Åstrand, PR Taylor‏
The Journal of Chemical Physics 112 (6), 2668-2683, 2000‏
2582000
Polarizability of molecular clusters as calculated by a dipole interaction model‏
L Jensen, PO Åstrand, A Osted, J Kongsted, KV Mikkelsen‏
The Journal of Chemical Physics 116 (10), 4001-4010, 2002‏
2482002
Accurate intermolecular potentials obtained from molecular wave functions: Bridging the gap between quantum chemistry and molecular simulations‏
O Engkvist, PO Åstrand, G Karlström‏
Chemical Reviews 100 (11), 4087-4108, 2000‏
2102000
Zero-point vibrational effects on proton shieldings: Functional-group contributions from ab initio calculations‏
K Ruud, PO Åstrand, PR Taylor‏
Journal of the American Chemical Society 123 (20), 4826-4833, 2001‏
1562001
Ab initio calculation of the electronic spectrum of azobenzene dyes and its impact on the design of optical data storage materials‏
PO Åstrand, PS Ramanujam, S Hvilsted, KL Bak, SPA Sauer‏
Journal of the American Chemical Society 122 (14), 3482-3487, 2000‏
1362000
Calculation of the vibrational wave function of polyatomic molecules‏
PO Åstrand, K Ruud, PR Taylor‏
The Journal of Chemical Physics 112 (6), 2655-2667, 2000‏
1282000
Novel model for calculating the intermolecular part of the infrared spectrum for molecular complexes‏
PO Åstrand, G Karlström, A Engdahl, B Nelander‏
The Journal of Chemical Physics 102 (9), 3534-3554, 1995‏
1111995
Molecular dynamics simulations of the interactions between platinum clusters and carbon platelets‏
CF Sanz-Navarro, PO Åstrand, De Chen,, M Rønning, ACT van Duin, ...‏
The Journal of Physical Chemistry A 112 (7), 1392-1402, 2008‏
1002008
Static and frequency-dependent polarizability tensors for carbon nanotubes‏
L Jensen, OH Schmidt, KV Mikkelsen, PO Åstrand‏
The Journal of Physical Chemistry B 104 (45), 10462-10466, 2000‏
982000
Solvent effects on the n→ π* electronic transition in formaldehyde: A combined coupled cluster/molecular dynamics study‏
J Kongsted, A Osted, KV Mikkelsen, PO Åstrand, O Christiansen‏
The Journal of Chemical Physics 121 (17), 8435-8445, 2004‏
942004
Zero-point vibrational effects on optical rotation‏
K Ruud, PR Taylor, PO Åstrand‏
Chemical Physics Letters 337 (1-3), 217-223, 2001‏
942001
Nonempirical intermolecular potentials for urea-water systems‏
PO Åstrand, A Wallqvist, G Karlström‏
Journal of Chemical Physics 100 (2), 1262-1273, 1994‏
891994
Frequency-dependent molecular polarizability calculated within an interaction model‏
L Jensen, PO Åstrand, KO Sylvester-Hvid, KV Mikkelsen‏
The Journal of Physical Chemistry A 104 (7), 1563-1569, 2000‏
872000
Molecular dynamics study of water adopting a potential function with explicit atomic dipole moments and anisotropic polarizabilities‏
PO Åstrand, P Linse, G Karlström‏
Chemical Physics 191 (1-3), 195-202, 1995‏
871995
Properties of urea–water solvation calculated from a new ab initio polarizable intermolecular potential‏
PO Åstrand, A Wallqvist, G Karlström, P Linse‏
The Journal of chemical physics 95 (11), 8419-8429, 1991‏
821991
Solvent effects on nuclear shieldings and spin–spin couplings of hydrogen selenide‏
PO Åstrand, KV Mikkelsen, P Jørgensen, K Ruud, T Helgaker‏
Journal of Chemical Physics 108 (6), 2528-2537, 1998‏
811998
Complex formation between water and formamide‏
A Engdahl, B Nelander, PO Åstrand‏
The Journal of chemical physics 99 (7), 4894-4907, 1993‏
801993
Five-membered rings as diazo components in optical data storage devices: an ab initio investigation of the lowest singlet excitation energies‏
PO Åstrand, P Sommer-Larsen, S Hvilsted, PS Ramanujam, KL Bak, ...‏
Chemical Physics Letters 325 (1-3), 115-119, 2000‏
742000
سیستم در حال حاضر قادر به انجام عملکرد نیست. بعداً دوباره امتحان کنید.
مقاله‌ها 1–20