✦ LIBER ✦

Gaussian-3 and related methods for accurate thermochemistry

✍ Scribed by Larry A. Curtiss; Krishnan Raghavachari

Book ID: 105885481
Publisher: Springer
Year: 2002
Tongue: English
Weight: 142 KB
Volume: 108
Category: Article
ISSN: 1432-2234
DOI: 10.1007/s00214-002-0355-9

No coin nor oath required. For personal study only.

📜 SIMILAR VOLUMES

Accurate thermochemistry for larger mole

Accurate thermochemistry for larger molecules: Gaussian-2 theory with bond separation energies

✍ Raghavachari, Krishnan; Stefanov, Boris B.; Curtiss, Larry A. 📂 Article 📅 1997 🏛 American Institute of Physics 🌐 English ⚖ 349 KB

Thermochemistry of phosphorus fluorides:

Thermochemistry of phosphorus fluorides: a Gaussian-3 and Gaussian-3X study

✍ Justin Kai-Chi Lau; Wai-Kee Li 📂 Article 📅 2002 🏛 Elsevier Science 🌐 English ⚖ 117 KB

G3-RAD and G3X-RAD: Modified Gaussian-3

G3-RAD and G3X-RAD: Modified Gaussian-3 (G3) and Gaussian-3X (G3X) procedures for radical thermochemistry

✍ Henry, David J.; Sullivan, Michael B.; Radom, Leo 📂 Article 📅 2003 🏛 American Institute of Physics 🌐 English ⚖ 384 KB

An efficient local coupled cluster metho

An efficient local coupled cluster method for accurate thermochemistry of large systems

✍ Werner, Hans-Joachim; Schütz, Martin 📂 Article 📅 2011 🏛 American Institute of Physics 🌐 English ⚖ 725 KB

Accurate and Efficient Method for Predic

Accurate and Efficient Method for Predicting Thermochemistry of Polycyclic Aromatic Hydrocarbons − Bond-Centered Group Additivity

✍ Yu, Joanna; Sumathi, Raman; Green, William H. 📂 Article 📅 2004 🏛 American Chemical Society 🌐 English ⚖ 256 KB

Calibration and comparison of the Gaussi

Calibration and comparison of the Gaussian-2, complete basis set, and density functional methods for computational thermochemistry

✍ Petersson, G. A.; Malick, David K.; Wilson, William G.; Ochterski, Joseph W.; Mo 📂 Article 📅 1998 🏛 American Institute of Physics 🌐 English ⚖ 423 KB