Advances in Molecular Relaxation Processes最新文献_第3页

Advances in Molecular Relaxation Processes Pub Date : 1976-12-01 DOI: 10.1016/0001-8716(76)80018-1

W.J. Orville-Thomas

引用次数: 1

Advances in Molecular Relaxation Processes Pub Date : 1976-12-01 DOI: 10.1016/0001-8716(76)80023-5

W.J. O.-T

引用次数: 0

A simple model for the orientational correlation functions of dipolar and induced-dipolar absorptions in liquids 液体中偶极和诱导偶极吸收取向相关函数的简单模型

Advances in Molecular Relaxation Processes Pub Date : 1976-12-01 DOI: 10.1016/0001-8716(76)80021-1

Myron Evans , Graham J. Davies

{"title":"A simple model for the orientational correlation functions of dipolar and induced-dipolar absorptions in liquids","authors":"Myron Evans , Graham J. Davies","doi":"10.1016/0001-8716(76)80021-1","DOIUrl":"10.1016/0001-8716(76)80021-1","url":null,"abstract":"<div>The Mori continued fraction approximation to the orientational memory function is used to evaluate the corresponding orientational correlation function C(t) of dipolar and induced-dipolar absorptions in liquids. In the former case the exponential part of C(t) is the Fourier transform of the relaxational Debye absorption, the short time (non-exponential) part of which is the Poley absorption characteristic of dipolar liquids in the far infra-red. In the latter case, the corresponding C(t) is one of both molecular orientation and interaction, having a correlation time typically of much less than 1 ps. This is approximately the inverse width at half peak height of the broad induced-dipolar absorptions which characterise <math><mtext>non</mtext></math>-dipolar liquids in the far infra-red (1–250 cm−1). This correlation function never becomes exponential, and is damped to zero in approximately the same interval of time as its memory function - meaning that the temporary dipole absorbs only during its short lifetime. The memory function is the correlation function of the random, fluctuating torque forces experienced by any molecule in the system, and is not a pure exponential. Therefore, this model is non-Markovian.</div>","PeriodicalId":100050,"journal":{"name":"Advances in Molecular Relaxation Processes","volume":"9 2","pages":"Pages 129-152"},"PeriodicalIF":0.0,"publicationDate":"1976-12-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://sci-hub-pdf.com/10.1016/0001-8716(76)80021-1","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"89335513","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 2

Dielectric and ultrasonic studies of benzene-hexafluorobenzene mixtures 苯-六氟苯混合物的介电和超声波研究

Advances in Molecular Relaxation Processes Pub Date : 1976-12-01 DOI: 10.1016/0001-8716(76)80022-3

A.K.M. Masood , A.M. North , R.A. Pethrick , M. Towland , F.L. Swinton

引用次数: 3

The effect of hydrogen bonding on the peptide linkage 氢键对肽链的影响

Advances in Molecular Relaxation Processes Pub Date : 1976-12-01 DOI: 10.1016/0001-8716(76)80020-X

Tor Ottersen

{"title":"The effect of hydrogen bonding on the peptide linkage","authors":"Tor Ottersen","doi":"10.1016/0001-8716(76)80020-X","DOIUrl":"10.1016/0001-8716(76)80020-X","url":null,"abstract":"<div>On the basis of the results obtained in a series of structure investigations and a series of theoretical studies the effect of hydrogen bonding on the peptide linkage (the NCO moiety) is discussed. The structure determinations., using X-ray diffraction methods, comprise eight molecules which contain the NCO moiety. The theoretical studies have been carried out using ab initio methods with hydrogen bonded complexes of formamide as model systems. The effect of hydrogen bonding on the peptide linkage, i.e. the shortening of the CN bond and the lengthening of the CO bond, is well reflected by the theoretical calculations. These calculations indicate that the readily delocalized π-electronic system, which can counteract perturbations in the σ-electronic system, is one of the major factors in the ability of the peptide linkage to form hydrogen bonds. On the basis of the structural parameters obtained in the crystal structure determinations and those found in the gaseous state for some simple amides, it is found that the formation of one intermolecular NH… O hydrogen bond, i.e. such that both the nitrogen and oxygen atoms of the NCO moiety are involved, leads to a shortening of the CN bond by ∼ 0.025 Å and a lengthening of the CO bond by ∼ 0.014 Å</div>","PeriodicalId":100050,"journal":{"name":"Advances in Molecular Relaxation Processes","volume":"9 2","pages":"Pages 105-128"},"PeriodicalIF":0.0,"publicationDate":"1976-12-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://sci-hub-pdf.com/10.1016/0001-8716(76)80020-X","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"83457548","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 3

Étude théorique des liaisons intermoléculaires par “transfert de charge”. III. la liaison azote … chlore 分子间“电荷转移”结合的理论研究。三。氮键…氯

Advances in Molecular Relaxation Processes Pub Date : 1976-10-01 DOI: 10.1016/0001-8716(76)80026-0

J. La Grange, G. Leroy, G. Louterman-Leloup

引用次数: 0

Dielectric relaxation of some alcohols in solution 某些醇在溶液中的介电弛豫

Advances in Molecular Relaxation Processes Pub Date : 1976-10-01 DOI: 10.1016/0001-8716(76)80030-2

C. Campbell, J. Crossley , L. Glasser

引用次数: 26

A Comparison of the dielectric, acoustic, NMR and viscoelastic relaxation properties of supercooled liquids cyclic carbonates 过冷液体环碳酸盐的介电、声学、核磁共振和粘弹性弛豫特性的比较

Advances in Molecular Relaxation Processes Pub Date : 1976-10-01 DOI: 10.1016/0001-8716(76)80028-4

A.K.M. Masood, R.A. Pethrick, A.J. Barlow, M.G. Kim, R.P. Plowiec, D. Barraclough, J.A. Ladd

引用次数: 2

Linear irreversible processes and spin relaxation 线性不可逆过程和自旋弛豫

Advances in Molecular Relaxation Processes Pub Date : 1976-10-01 DOI: 10.1016/0001-8716(76)80029-6

R. Lenk

{"title":"Linear irreversible processes and spin relaxation","authors":"R. Lenk","doi":"10.1016/0001-8716(76)80029-6","DOIUrl":"10.1016/0001-8716(76)80029-6","url":null,"abstract":"<div>The standard theories of spin relaxation have not sufficiently emphasised the connection of this phenomenon to other linear irreversible processes and the role of entropy production has also not been clearly discussed.In order to contribute to this problem, we start here with the linear relation between the generalised fluxes Ji and generalised forces Xi and we show the verification of the bilinear relation in fluxes and forces for the dissipation function Ψd In this connection a general expression for the diffusion-like equation is also calculated.Furthermore, the phenomenological relaxation equation is developed, which shows the proportionalityof therelaxation rate 1/T1 to the phenomenological coefficient LE. The quantum-statistical treatment of relaxation starts also from the entropy production principle and one obtains a quantum-statistical alternative of the phenomenological coefficient LE, which yields finally the molecular expression for the relaxation rate 1/T1 . This result has been used for the treatment of spin-lattice relaxation by dipole-dipole interaction and one has obtained the same relation for 1/T1, relaxation rate, as by other methods, using different starting points.</div>","PeriodicalId":100050,"journal":{"name":"Advances in Molecular Relaxation Processes","volume":"9 1","pages":"Pages 47-62"},"PeriodicalIF":0.0,"publicationDate":"1976-10-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://sci-hub-pdf.com/10.1016/0001-8716(76)80029-6","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"72773547","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 1

Étude théorique des liaisons intermoléculaires par “transfert de charge” IV. Les liaisons faisant intervenir l'atome de soufre “电荷转移”分子间键的理论研究四。涉及硫原子的键

Advances in Molecular Relaxation Processes Pub Date : 1976-10-01 DOI: 10.1016/0001-8716(76)80027-2

J. La Grange, G. Leroy, G. Louterman-Leloup

引用次数: 1