Статті в журналах з теми "Moller-Plesset Perturbation"
Оформте джерело за APA, MLA, Chicago, Harvard та іншими стилями
Ознайомтеся з топ-25 статей у журналах для дослідження на тему "Moller-Plesset Perturbation".
Біля кожної праці в переліку літератури доступна кнопка «Додати до бібліографії». Скористайтеся нею – і ми автоматично оформимо бібліографічне посилання на обрану працю в потрібному вам стилі цитування: APA, MLA, «Гарвард», «Чикаго», «Ванкувер» тощо.
Також ви можете завантажити повний текст наукової публікації у форматі «.pdf» та прочитати онлайн анотацію до роботи, якщо відповідні параметри наявні в метаданих.
Переглядайте статті в журналах для різних дисциплін та оформлюйте правильно вашу бібліографію.
Wolinski, Krzysztof. "Moller-Plesset perturbation theory with two-configurational reference wavefunction." Theoretica Chimica Acta 82, no. 6 (1992): 459–71. http://dx.doi.org/10.1007/bf01129103.
Повний текст джерелаLi, Qingxu, Xianju Zhou, and Shiwei Yin. "Electron Correlation Effects on the Longitudinal Polarizabilities and Second Hyperpolarizabilities of Polyenes: A Finite Field Study." International Journal of Photoenergy 2014 (2014): 1–6. http://dx.doi.org/10.1155/2014/346272.
Повний текст джерелаMaroulis, G., and A. J. Thakkar. "Static hyperpolarisabilities and polarisabilities for Be: a fourth-order Moller-Plesset perturbation theory calculation." Journal of Physics B: Atomic, Molecular and Optical Physics 21, no. 23 (December 14, 1988): 3819–31. http://dx.doi.org/10.1088/0953-4075/21/23/004.
Повний текст джерелаRemko, Milan. "Ab initio study of the configuration and protonation of thiocarbamic acid." Collection of Czechoslovak Chemical Communications 54, no. 2 (1989): 297–302. http://dx.doi.org/10.1135/cccc19890297.
Повний текст джерелаZHANG, D. W., and J. Z. H. ZHANG. "FULL AB INITIO COMPUTATION OF PROTEIN-WATER INTERACTION ENERGIES." Journal of Theoretical and Computational Chemistry 03, no. 01 (March 2004): 43–49. http://dx.doi.org/10.1142/s0219633604000891.
Повний текст джерелаRemko, Milan. "Ab initio MO study of protonation of carbamic acid, methyl carbamate and methyl N-methylcarbamate." Collection of Czechoslovak Chemical Communications 53, no. 6 (1988): 1141–48. http://dx.doi.org/10.1135/cccc19881141.
Повний текст джерелаLiegener, C. M. "Third-order many-body perturbation theory in the Moller-Plesset partitioning applied to an infinite alternating hydrogen chain." Journal of Physics C: Solid State Physics 18, no. 32 (November 20, 1985): 6011–22. http://dx.doi.org/10.1088/0022-3719/18/32/012.
Повний текст джерелаHe, Yuan, and Dieter Cremer. "Assessment of higher order correlation effects with the help of Moller-Plesset perturbation theory up to sixth order." Molecular Physics 98, no. 18 (September 2000): 1415–32. http://dx.doi.org/10.1080/002689700417538.
Повний текст джерелаPople, J. A., M. Head-Gordon, and Krishnan Raghavachari. "Corrections to correlations energies beyond fourth order moller-plesset (MP4) perturbation theory. Contributions of single, double, and triple substitutions." International Journal of Quantum Chemistry 34, S22 (March 12, 1988): 377–82. http://dx.doi.org/10.1002/qua.560340842.
Повний текст джерелаGAO, YI, YU ZHAO, and X. C. ZENG. "REEXAMINATION OF LOW ENERGY STRUCTURES OF ${\rm Au}_{4}^{-}$ AND Au4." Journal of Theoretical and Computational Chemistry 09, supp01 (January 2010): 1–7. http://dx.doi.org/10.1142/s0219633610005499.
Повний текст джерелаDanilov, V. I., and V. M. Anisimov. "The study of the canonical Watson-Crick DNA base pairs by Moller-Plesset perturbation method: the nature of their stability." Biopolymers and Cell 20, no. 1-2 (March 20, 2004): 71–76. http://dx.doi.org/10.7124/bc.000693.
Повний текст джерелаTan, Xiaojun, Ping Li, Weihua Wang, Gengxiu Zheng, and Qiufen Wang. "A theoretical study of the mechanism of the addition reaction between carbene and azacyclopropane." Journal of the Serbian Chemical Society 75, no. 5 (2010): 649–57. http://dx.doi.org/10.2298/jsc090303031t.
Повний текст джерелаAzimi, Samira, and Arvi Rauk. "On the Involvement of Copper Binding to the N-Terminus of the Amyloid Beta Peptide of Alzheimer's Disease: A Computational Study on Model Systems." International Journal of Alzheimer's Disease 2011 (2011): 1–15. http://dx.doi.org/10.4061/2011/539762.
Повний текст джерелаRayne, Sierra, and Kaya Forest. "Benchmarking semiempirical, Hartree–Fock, DFT, and MP2 methods against the ionization energies and electron affinities of short- through long-chain [n]acenes and [n]phenacenes." Canadian Journal of Chemistry 94, no. 3 (March 2016): 251–58. http://dx.doi.org/10.1139/cjc-2015-0526.
Повний текст джерелаSHALABI, A. S., KH M. EID, M. A. KAMEL, and Z. M. FATHI. "M CENTER DIFFUSION, EXCITONS AND ADSORPTIVITY OF ATOMIC H AND He ON LiH (001) SURFACE: ab initio STUDY." International Journal of Modern Physics C 11, no. 08 (December 2000): 1491–507. http://dx.doi.org/10.1142/s0129183100001498.
Повний текст джерелаWang, Jian, Leif A. Eriksson, Russell J. Boyd, Zheng Shi, and Benny G. Johnson. "Diazasilene (SiNN): a comparative study of electron density distributions derived from Hartree-Fock, second-order Moller-Plesset perturbation theory, and density functional methods." Journal of Physical Chemistry 98, no. 7 (February 1994): 1844–50. http://dx.doi.org/10.1021/j100058a021.
Повний текст джерелаGhafoor, Sidra, Asim Mansha, Sadia Asim, Muhammad Usman, Ameer Fawad Zahoor, and Hafiz Saqib Ali. "The structural, spectral, frontier molecular orbital and thermodynamic analysis of 2-hydroxy 2-methyl propiophenone by MP2 and B3LYP methods." Journal of Theoretical and Computational Chemistry 19, no. 05 (July 31, 2020): 2050020. http://dx.doi.org/10.1142/s0219633620500200.
Повний текст джерелаLuo, Jun, Xiaofeng Li, Dingding Xiang, Chenglu Zeng, Hongjing Dai, Dawang Wu та Maoqi Cao. "P … π Bonds in Complexes of C2H2 … PH2X (X = H, F, Cl, Br, I): Quantum Chemical Analysis". Journal of Physics: Conference Series 2553, № 1 (1 серпня 2023): 012069. http://dx.doi.org/10.1088/1742-6596/2553/1/012069.
Повний текст джерелаNovoa, Juan J. "A quantum approach to the mechanism of electrochemical reductions." Canadian Journal of Chemistry 64, no. 12 (December 1, 1986): 2359–64. http://dx.doi.org/10.1139/v86-389.
Повний текст джерела"The thermochemistry and reaction pathways of energetic material decomposition and combustion." Philosophical Transactions of the Royal Society of London. Series A: Physical and Engineering Sciences 339, no. 1654 (May 15, 1992): 365–76. http://dx.doi.org/10.1098/rsta.1992.0042.
Повний текст джерелаSOSA, C., and H. B. SCHLEGEL. "ChemInform Abstract: Calculated Barrier Heights for OH + C2H2 and OH + C2H4 Using Unrestricted Moller-Plesset Perturbation Theory with Spin Annihilation." ChemInform 18, no. 44 (November 3, 1987). http://dx.doi.org/10.1002/chin.198744088.
Повний текст джерела邱梓恒, Ahmed Yousif Ghazal, 龙金友, and 张嵩. "Theoretical studies on molecular conformers and infrared spectra of Triethylamine." Acta Physica Sinica, 2022, 0. http://dx.doi.org/10.7498/aps.71.20220123.
Повний текст джерелаPatil, Vaishali M., Rohan R. Narkhede, Neeraj Masand, Rameshwar S. Cheke, and Krishnan Balasubramanian. "Molecular insights into Resveratrol and its analogs as SARS-CoV-2 (COVID-19) protease inhibitors." Coronaviruses 01 (December 18, 2020). http://dx.doi.org/10.2174/2666796701999201218142828.
Повний текст джерелаRayne, Sierra, Sierra Rayne, and Kaya Forest. "Semiempirical, Hartree-Fock, density functional, and second order Moller-Plesset perturbation theory methods do not accurately predict ionization energies and electron affinities of short- through long-chain [n]acenes." Nature Precedings, November 8, 2011. http://dx.doi.org/10.1038/npre.2011.6578.
Повний текст джерелаRayne, Sierra, and Kaya Forest. "Semiempirical, Hartree-Fock, density functional, and second order Moller-Plesset perturbation theory methods do not accurately predict ionization energies and electron affinities of short- through long-chain [n]acenes." Nature Precedings, November 8, 2011. http://dx.doi.org/10.1038/npre.2011.6578.1.
Повний текст джерела