These tools will no longer be maintained as of December 31, 2024. Archived website can be found here. PubMed4Hh GitHub repository can be found here. Contact NLM Customer Service if you have questions.
235 related articles for article (PubMed ID: 23258549)
61. Ab initio vibrational state calculations with a quartic force field: applications to H2CO, C2H4, CH3OH, CH3CCH, and C6H6. Yagi K; Hirao K; Taketsugu T; Schmidt MW; Gordon MS J Chem Phys; 2004 Jul; 121(3):1383-9. PubMed ID: 15260682 [TBL] [Abstract][Full Text] [Related]
62. Quantum-chemical calculation of two-dimensional infrared spectra using localized-mode VSCF/VCI. Brüggemann J; Wolter M; Jacob CR J Chem Phys; 2022 Dec; 157(24):244107. PubMed ID: 36586972 [TBL] [Abstract][Full Text] [Related]
63. Axial ligand effects on vibrational dynamics of iron in heme carbonyl studied by nuclear resonance vibrational spectroscopy. Ohta T; Liu JG; Saito M; Kobayashi Y; Yoda Y; Seto M; Naruta Y J Phys Chem B; 2012 Nov; 116(47):13831-8. PubMed ID: 23072485 [TBL] [Abstract][Full Text] [Related]
64. Comparing the accuracy of perturbative and variational calculations for predicting fundamental vibrational frequencies of dihalomethanes. Krasnoshchekov SV; Schutski RS; Craig NC; Sibaev M; Crittenden DL J Chem Phys; 2018 Feb; 148(8):084102. PubMed ID: 29495771 [TBL] [Abstract][Full Text] [Related]
65. Modeling carbon nanostructures with the self-consistent charge density-functional tight-binding method: vibrational spectra and electronic structure of C(28), C(60), and C(70). Witek HA; Irle S; Zheng G; de Jong WA; Morokuma K J Chem Phys; 2006 Dec; 125(21):214706. PubMed ID: 17166039 [TBL] [Abstract][Full Text] [Related]
67. Effects of Global and Local Anharmonicities on the Thermodynamic Properties of Sulfuric Acid Monohydrate. Partanen L; Hänninen V; Halonen L J Chem Theory Comput; 2016 Nov; 12(11):5511-5524. PubMed ID: 27662456 [TBL] [Abstract][Full Text] [Related]
68. Calculation of vibrational spectra of linear tetrapyrroles. 4. Methine bridge C-H out-of-plane modes. Mroginski MA; Murgida DH; Hildebrandt P J Phys Chem A; 2006 Sep; 110(36):10564-74. PubMed ID: 16956238 [TBL] [Abstract][Full Text] [Related]
69. High-Level VSCF/VCI Calculations Decode the Vibrational Spectrum of the Aqueous Proton. Yu Q; Carpenter WB; Lewis NHC; Tokmakoff A; Bowman JM J Phys Chem B; 2019 Aug; 123(33):7214-7224. PubMed ID: 31361141 [TBL] [Abstract][Full Text] [Related]
70. Anharmonic effects in IR, Raman, and Raman optical activity spectra of alanine and proline zwitterions. Danecek P; Kapitán J; Baumruk V; Bednárová L; Kopecký V; Bour P J Chem Phys; 2007 Jun; 126(22):224513. PubMed ID: 17581069 [TBL] [Abstract][Full Text] [Related]
71. Calculated Vibrational Intensities in the Ã-&Xtilde; Electronic Transition of Acetylene. Watson JK J Mol Spectrosc; 2001 Jun; 207(2):276-284. PubMed ID: 11397117 [TBL] [Abstract][Full Text] [Related]
72. Vibrational spectroscopy and the development of new force fields for biological molecules. Gerber RB; Chaban GM; Gregurick SK; Brauer B Biopolymers; 2003 Mar; 68(3):370-82. PubMed ID: 12601796 [TBL] [Abstract][Full Text] [Related]
74. Towards an understanding of the vibrational mode specificity for dissociative chemisorption of CH(4) on Ni(111): a 15 dimensional study. Prasanna KG; Olsen RA; Valdés A; Kroes GJ Phys Chem Chem Phys; 2010 Jul; 12(27):7654-61. PubMed ID: 20532358 [TBL] [Abstract][Full Text] [Related]
75. Excited states of thiophene: ring opening as deactivation mechanism. Salzmann S; Kleinschmidt M; Tatchen J; Weinkauf R; Marian CM Phys Chem Chem Phys; 2008 Jan; 10(3):380-92. PubMed ID: 18174980 [TBL] [Abstract][Full Text] [Related]
76. Vibrational self-consistent field calculations for spectroscopy of biological molecules: new algorithmic developments and applications. Roy TK; Gerber RB Phys Chem Chem Phys; 2013 Jun; 15(24):9468-92. PubMed ID: 23677257 [TBL] [Abstract][Full Text] [Related]
77. Density functional calculations of the vibronic structure of electronic absorption spectra. Dierksen M; Grimme S J Chem Phys; 2004 Feb; 120(8):3544-54. PubMed ID: 15268516 [TBL] [Abstract][Full Text] [Related]
78. Configuration space partitioning and matrix buildup scaling for the vibrational configuration interaction method. Samsonyuk A; Scheurer C J Comput Chem; 2013 Jan; 34(1):27-37. PubMed ID: 22936205 [TBL] [Abstract][Full Text] [Related]
79. Vibrational spectra of α-glucose, β-glucose, and sucrose: anharmonic calculations and experiment. Brauer B; Pincu M; Buch V; Bar I; Simons JP; Gerber RB J Phys Chem A; 2011 Jun; 115(23):5859-72. PubMed ID: 21391638 [TBL] [Abstract][Full Text] [Related]
80. [The analysis of vibrational structure of the electronic spectra of diatomic molecules]. Yu CR; Cui ZF; Wang RK Guang Pu Xue Yu Guang Pu Fen Xi; 2006 Jun; 26(6):1012-7. PubMed ID: 16961219 [TBL] [Abstract][Full Text] [Related] [Previous] [Next] [New Search]