Anharmonic vibrational spectroscopy calculations of large molecules

被引：0

作者：

Cheng, Xiaolu ^{[2
]}

Steele, Ryan ^{[1
]}

机构：

[1] Univ Utah, Salt Lake City, UT USA

[2] Univ Utah, Chem, Salt Lake City, UT USA

来源：

ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY | 2016年 / 251卷

关键词：

D O I：

暂无

中图分类号：

O6 [化学];

学科分类号：

0703 ;

摘要：

525

引用

页数：2

共 50 条

[41] Vibrational spectroscopy of interstellar molecules
Szczepanski, J.
Vala, M.
EUROPEAN PHYSICAL JOURNAL-SPECIAL TOPICS, 2007, 144 (1): : 27 - 40
[42] Anharmonic vibrational spectroscopy calculations for novel rare-gas-containing compounds: HXeH, HXeCl, HXeBr, and HXeOH
Lundell, J
Chaban, GM
Gerber, RB
JOURNAL OF PHYSICAL CHEMISTRY A, 2000, 104 (34): : 7944 - 7949
[43] Anharmonic resonances in the C-H stretch region of ethoxy adsorbed on W(110): vibrational spectroscopy and calculations
Andersson, MP
Asmundsson, R
Uvdal, P
SURFACE SCIENCE, 2003, 532 : 221 - 226
[44] Vibrational spectroscopy of polyatomic materials: Semiempirical calculations of anharmonic couplings and infrared and Raman linewidths in naphthalene and PETN crystals
Piryatinski, Andrei
Tretiak, Sergei
Sewell, Thomas D.
McGrane, Shawn D.
PHYSICAL REVIEW B, 2007, 75 (21)
[45] Vibrational spectroscopy of trans and cis deuterated formic acid (HCOOD): Anharmonic calculations and experiments in argon and neon matrices
Marushkevich, K.
Khriachtchev, L.
Lundell, J.
Domanskaya, A. V.
Rasanen, M.
JOURNAL OF MOLECULAR SPECTROSCOPY, 2010, 259 (02) : 105 - 110
[46] A local mode description of anharmonic vibrational excitations in linear molecules
Lemus, R
Frank, A
CHEMICAL PHYSICS, 1999, 242 (01) : 25 - 35
[47] Fast prediction of anharmonic vibrational spectra for complex organic molecules
Miotto, Mattia
Monacelli, Lorenzo
NPJ COMPUTATIONAL MATERIALS, 2024, 10 (01)
[48] Model of nonequilibrium dissociation of diatomic molecules from the threshold vibrational level of an anharmonic oscillator. Calculations with the AVOGADRO software
Gordiets, B.F.
Sergievskaya, A.L.
Chemical Physics Reports, 16 (01): : 11 - 25
[49] VIBRATIONAL-ENERGY RELAXATION IN A GAS OF DIATOMIC ANHARMONIC MOLECULES
BRUEV, AS
KHIMICHESKAYA FIZIKA, 1984, 3 (06): : 819 - 827
[50] ABINITIO CALCULATIONS OF VIBRATIONAL PROPERTIES OF SOME LINEAR TRIATOMIC-MOLECULES .2. ANHARMONIC-FORCE FIELDS
STEELE, D
PERSON, WB
BROWN, KG
JOURNAL OF PHYSICAL CHEMISTRY, 1981, 85 (14): : 2007 - 2012

← 1 2 3 4 5 →