Results 101 to 110 of about 993,710 (249)

Fluctuation corrections on thermodynamic functions: Finite size effect

, 2013
The explicit thermodynamic functions, in particular, the specific heat of a spin system interacting with a spin bath which exerts finite dissipation on the system are determined.
Ghosh, Arnab, Ray, Deb Shankar, Sinha, Sudarson Sekhar   +2 more
core   +1 more source

Quantum chemical determination of molecular geometries and spectral investigation of 4-ethoxy-2, 3-difluoro benzamide

Heliyon, 2019
The present work reports the application of density functional theory (DFT) at B3LYP with various basis sets which provide the relationship between the structural and spectral properties of 4-ethoxy-2, 3-difluoro benzamide (4EDFB). A Complete vibrational
V. Vidhya, A. Austine, M. Arivazhagan
doaj   +1 more source

Circumstellar discs: What will be next?

, 2017
This prospective chapter gives our view on the evolution of the study of circumstellar discs within the next 20 years from both observational and theoretical sides.
A Boccaletti, A Bonsor, A Bonsor, A Bonsor, A Bonsor, A Brandeker, A Brandeker, A Crida, A Garufi, A Garufi, A Gáspár, A Hardy, A Juhasz, A Kraus, A Labeyrie, A Miotello, A Moro-Martín, A Moór, A Moór, A Moór, A Roberge, A Roberge, A Roberge, A Shannon, A Shannon, A Vanderburg, AJ Mustill, AP Jackson, AP Jackson, AS Hales, AV Krivov, B Acke, B Biller, B Ercolano, B Ercolano, B Matthews, B Mennesson, B Zuckerman, B Zuckerman, B Zuckerman, BY Welsh, C Clarke, C Clarke, C Clarke, C Eiroa, C Eiroa, C Gammie, C Gammie, C Koepferl, C Lada, C Marois, C Marois, C Qi, C Qi, C Qi, C Thalmann, CA Grady, CA Grady, CC Capobianco, CF Manara, CJ Clarke, CJ Manser, CM Johns-Krull, CM Lisse, CVM Fridlund, D Ardila, D Carrera, D Defrère, D Defrère, D Fedele, D Johnstone, D Koester, D Mouillet, D Segura-Cox, D Veras, DNC Lin, E Bergin, E Chiang, E Vorobyov, EJ Lee, F Adams, F Meru, F Meru, F. Kiefer, F. Kiefer, G Bryden, G Cataldi, G Dipierro, G Duvert, G Lodato, G Lodato, G Lodato, G Olofsson, G Picogna, G Rosotti, G Rosotti, G Schneider, GH Rieke, GM Kennedy, GM Kennedy, GM Kennedy, GS Mathews, H Beust, H Beust, H Rauer, HYA Meng, HYA Meng, I Pascucci, J Blum, J Bulger, J Drake, J Farihi, J Farihi, J Ilee, J Lacy, J Najita, J Najita, J Owen, J Owen, J Owen, J Owen, J Simon, J Tobin, J Walmswell, J Williams, J-W Xie, JA White, JB Simon, JC Augereau, JC Carter-Bond, JE Krist, JP Marshall, JP Marshall, JS Greaves, K Anderson, K Flaherty, K Flaherty, K Haisch, K Kratter, K Wagner, K Zagorovsky, L Cieza, L Hartmann, L Matrà, L Matrà, L Matrà, L Perez, L Ricci, L Ricci, L Roy Le, M Benisty, M Booth, M Collings, M Drovdovskaya, M Jura, M Kama, M Lambrechts, M Madhusudhan, M Perryman, M Tazzari, M Young, MC Wyatt, MC Wyatt, MC Wyatt, MC Wyatt, MC Wyatt, MC Wyatt, MC Wyatt, MC Wyatt, MC Wyatt, MR Troutman, N Calvet, N Huelamo, N Madhusudhan, N Marel van der, ND Thureau, O Panic, O Panic, O Panic, P Kalas, P Roelfsema, P Thebault, P Thébault, PJ Carter, PW Sullivan, Q Kral, Q Kral, Q Kral, Q Kral, Q Kral, Q Kral, R Alexander, R Alexander, R Boekel van, R Booth, R Dong, R Lieshout van, R Nilsson, R Rafikov, R Rafikov, R Teague, RA Booth, RD Alexander, S Andrews, S Andrews, S Balbus, S Davis, S Ertel, S Ertel, S Ertel, S Ertel, S Facchini, S Guilloteau, S Guilloteau, S Ida, S Marino, S Matsumura, S Paardekooper, S Quanz, S Sallum, S Xu, S-J Paardekooper, SJ Kenyon, SJ Kenyon, SJ Kenyon, SJ Weidenschilling, SL Montgomery, SL Powell, SN Raymond, SN Raymond, T Birnstiel, T Brandt, T Currie, T Currie, T Löhne, T Muto, T Stolker, T Takeuchi, TA Douglas, TS Boyajian, U Gorti, V Christiaens, V Pietu, W Rice, W Rice, W Rice, W Rice, WRF Dent, X Bai, X Hu, X-N Bai, X-N Bai, Y Hasegawa, Z Regaly, Z Zhu, Z Zhu, Á Kóspál   +256 more
core   +1 more source

Theoretical Principles of Organic Chemistry [PDF]

, 1959
P. B. D. de la Mare
openalex   +1 more source

Estudio teórico de endocanabinoides análogos a anandamida

Revista Científica, 2013
From computational methods, we studied a total of 90 reactions designed by the research group of AAUCTU pharmochemical aimed at determin- ing the possible synthesis and pharmacological activity of anandamide derivatives in Parkinson’s disease. We propose
Luis Carlos García Sánchez, Julie Gesselle Benavides Melo, Fabio Mayorga   +2 more
doaj  

Revealing the Critical Role of Global Electron Density Transfer in the Reaction Rate of Polar Organic Reactions within Molecular Electron Density Theory

Molecules
The critical role of global electron density transfer (GEDT) in increasing the reaction rate of polar organic reactions has been studied within the framework of Molecular Electron Density Theory (MEDT). To this end, the series of the polar Diels–Alder (P-
Luis R. Domingo, Mar Ríos-Gutiérrez
doaj   +1 more source

Introduction to the Study of Organic Chemistry: a Theoretical and Practical Text-book for Students in the Universities and Technical Schools [PDF]

, 1926
J S Wade
openalex   +1 more source

Jahn-Teller instability in C6H6+ and C6H6- revisited

, 2003
The benzene cation (C6H6+) has a doublet (e_{1g}) ground state in hexagonal ring (D_{6h}) geometry. Therefore a Jahn-Teller (JT) distortion will lower the energy.
H. Jahn, I. B. Bersuker, Mark Pederson, Philip B. Allen, Vasili Perebeinos   +4 more
core   +1 more source

Editorial: From “Cosmic Cooking” to Chemistry of the Future: A Collective Dialogue on Chemistry as a Tribute to Prof. Sourav Pal.

Frontiers in Chemistry, 2022
Soumyajit Roy, Sailaja Krishnamurty, Wolfgang Schoefberger   +2 more
doaj   +1 more source

Mathematical Models Generated for the Prediction of Corrosion Inhibition Using Different Theoretical Chemistry Simulations. [PDF]

Materials (Basel), 2020
Rodríguez JA, Cruz-Borbolla J, Arizpe-Carreón PA, Gutiérrez E.   +3 more
europepmc   +1 more source