계산에 관한 연구
연구진은 알파-메틸이 카빈을 대체하는 전자효과를 연구하기 위해 밀도범서 이론과 같은 계산법을 자주 사용한다.이러한 계산은 가장 유리한 반응 경로와 다른 대체 기반이 반응 에너지에 미치는 영향을 예측하는 데 도움이 됩니다.
화학 원료를 구입해야하는 경우 요청 정보를 제출하여최신견적을받으십시오.
계산에 관한 연구의 학술 논문
-
Investigation of electronic effects of Rh(II)-mediated α-methyl- substituted carbenoid intramolecular C-H insertion
화학 물질
-
diethyl 2-propyl-(2-phenylethyl)malonate
-
-
Exploring trifluoromethylation reactions at nickel: A structural and reactivity study
화학 물질
-
(1,2-bis(diisopropylphosphino)ethane)Ni(Ph)(trifluoromethyl)
-
-
Mechanistic Studies on the Anodic Functionalization of Alkenes Catalyzed by Diselenides
화학 물질
-
bis[2-(tert-butylsulfonyl)phenyl] diselenide
-
-
Synthetic and computational studies of thiocarbonyl/σ-organyl coupling reactions
화학 물질
-
[Os(CH=CHC6H4Me-4)(CS)(PPh3)(1,4,7-trithiacyclononane)]PF6
-
-
Electrochemical and computational studies, in protic medium, of Morita-Baylis-Hillman adducts and correlation with leishmanicidal activity
화학 물질
-
2-(hydroxy(4-nitrophenyl)methyl)acrylonitrile
-
-
Studies on the factors controlling the stereoselectivity in electrophilic iodocyclization of alkylidenecyclopropyl ketones
화학 물질
-
1-phenylsulfonyl-2-(nonylidene)cyclopropyl methyl ketone
-
-
FURTHER STUDIES ON THE STEREOCHEMISTRY OF METAL ENOLATE-IMINE CONDENSATION REACTIONS
화학 물질
-
(2S,3S)-2-Isopropyl-3-(4-methoxy-benzylamino)-5-trimethylsilanyl-pent-4-ynethioic acid S-tert-butyl ester
-
-
Structure-mechanochemical activity relationships for cyclobutane mechanophores
화학 물질
-
비스 (2- 히드 록시 에틸) 숙시 네이트
-
-
Mechanism and enantioselectivity in palladium-catalyzed conjugate addition of arylboronic acids to β-substituted cyclic enones: Insights from computation and experiment
화학 물질
-
(S)-4-methyl-4-phenyltetrahydro-2H-pyran-2-one
-
-
Selective Control of the Various Cycloaddition Products from Reactions of Styrenes and 1,4-Benzoquinones: Optimization of the Formal 5 +2 Cycloadducts
화학 물질
-
(1S,6R,7R,8R)-3-Methoxy-7-methyl-8-phenyl-bicyclo[4.2.0]oct-3-ene-2,5-dione
-
-
Synthetic and Computational Studies on the Rhodium-Catalyzed Hydroamination of Aminoalkenes
화학 물질
-
2-bromo-1,1-diphenyl-3-methylbutene
-
-
Synthesis and computational studies on aryloxypropyl piperazine derivatives as potential atypical antipsychotic agents
화학 물질
-
1-(4-chlorobenzyl)-4-(3-(4-methoxyphenoxy)propyl)piperazine
-
-
4-Substituted 1-acyloxypyridine-2(1H)-thiones: Experimental and computational studies of the substituent effect on electronic absorption spectra
화학 물질
-
에탄티오산 S-(4-시아노-1-옥시도-2-피리디닐) 에스테르
-
-
4-Nitrophenyltriflate and 4-Nitrophenylnonaflate as New Perfluoroalkanesulfonyl Transfer Agents: Experimental and Computational Studies
화학 물질
-
Methanesulfonic acid, trifluoro-, 5-formyl-2-methoxyphenyl ester
-
-
Photooxidation of 3,5-diaryl-1-phenyl-2-pyrazolines: Experimental and computational studies
화학 물질
-
3-(2-methoxyphenyl)-1,5-diphenyl-1H-pyrazole
-
-
Computational and experimental studies of the effect of substituents on the singlet-triplet energy gap in phenyl(carbomethoxy)carbene
화학 물질
-
methyl 4-(N,N)-dimethylaminophenyldiazoacetate
-
