about
Saddle point localization of molecular wavefunctionsFully anharmonic IR and Raman spectra of medium-size molecular systems: accuracy and interpretation.Dispersion corrected DFT approaches for anharmonic vibrational frequency calculations: nucleobases and their dimers.Implementation and validation of a multi-purpose virtual spectrometer for large systems in complex environments.CC/DFT Route toward Accurate Structures and Spectroscopic Features for Observed and Elusive Conformers of Flexible Molecules: Pyruvic Acid as a Case Study.Anharmonic Effects on Vibrational Spectra Intensities: Infrared, Raman, Vibrational Circular Dichroism, and Raman Optical ActivityComplete experimental rovibrational eigenenergies of HCN up to 6880 cm(-1) above the ground state.Fluxional and aromatic behavior in small magic silicon clusters: a full ab initio study of Si(n), Si(n) (1-), Si(n) (2-), and Si(n) (1+), n=6, 10 clusters.Computational Tools for Structure, Spectroscopy and Thermochemistry
P2860
Q28830197-0C187D08-47FE-4ADB-8174-D81969A8719CQ36159370-71CBCDD2-D609-4588-A74B-216F32DF4F25Q36181582-1D9EE35F-3687-4D81-98E2-24FE54DC0646Q38024671-444ACB4A-C4AE-45E4-B69B-57C94199215DQ40313829-81DC82A6-C9F0-485F-9A23-E0FD443E5FF1Q41693043-6085125D-2676-4485-8DE9-A48CC73CC7A6Q51554555-48EF60ED-746A-468C-B3CC-BC18BBFEB4F7Q51910494-C9206B0A-E6FF-40DC-AD2F-3EAD3E8754BAQ57099811-378E4FF0-061B-498F-8699-CCBBC11999C1
P2860
description
2000 nî lūn-bûn
@nan
2000 թուականի Հոկտեմբերին հրատարակուած գիտական յօդուած
@hyw
2000 թվականի հոտեմբերին հրատարակված գիտական հոդված
@hy
2000年の論文
@ja
2000年論文
@yue
2000年論文
@zh-hant
2000年論文
@zh-hk
2000年論文
@zh-mo
2000年論文
@zh-tw
2000年论文
@wuu
name
CHEMISTRY: Beyond Platonic Molecules
@ast
CHEMISTRY: Beyond Platonic Molecules
@en
type
label
CHEMISTRY: Beyond Platonic Molecules
@ast
CHEMISTRY: Beyond Platonic Molecules
@en
prefLabel
CHEMISTRY: Beyond Platonic Molecules
@ast
CHEMISTRY: Beyond Platonic Molecules
@en
P3181
P1433
P1476
CHEMISTRY: Beyond Platonic Molecules
@en
P2093
J. M. Bowman
P304
P3181
P356
10.1126/SCIENCE.290.5492.724
P407
P577
2000-10-27T00:00:00Z